WorldWideScience

Sample records for charged macromolecule capture

  1. Adsorption of charged macromolecules on a gold electrode

    NARCIS (Netherlands)

    Barten, D.

    2003-01-01

    In this thesis we have examined the role of electrostatic interactions in the adsorption of charged macromolecules from aqueous solution to a solid surface and the possibilitiesfor manipulatingthis process through the electric potential

  2. A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

    Science.gov (United States)

    Krishnan, M.

    2017-05-01

    We present a model for calculating the net and effective electrical charge of globular macromolecules and linear polyelectrolytes such as proteins and DNA, given the concentration of monovalent salt and pH in solution. The calculation is based on a numerical solution of the non-linear Poisson-Boltzmann equation using a finite element discretized continuum approach. The model simultaneously addresses the phenomena of charge regulation and renormalization, both of which underpin the electrostatics of biomolecules in solution. We show that while charge regulation addresses the true electrical charge of a molecule arising from the acid-base equilibria of its ionizable groups, charge renormalization finds relevance in the context of a molecule's interaction with another charged entity. Writing this electrostatic interaction free energy in terms of a local electrical potential, we obtain an "interaction charge" for the molecule which we demonstrate agrees closely with the "effective charge" discussed in charge renormalization and counterion-condensation theories. The predictions of this model agree well with direct high-precision measurements of effective electrical charge of polyelectrolytes such as nucleic acids and disordered proteins in solution, without tunable parameters. Including the effective interior dielectric constant for compactly folded molecules as a tunable parameter, the model captures measurements of effective charge as well as published trends of pKa shifts in globular proteins. Our results suggest a straightforward general framework to model electrostatics in biomolecules in solution. In offering a platform that directly links theory and experiment, these calculations could foster a systematic understanding of the interrelationship between molecular 3D structure and conformation, electrical charge and electrostatic interactions in solution. The model could find particular relevance in situations where molecular crystal structures are not available or

  3. Permeation of macromolecules into the renal glomerular basement membrane and capture by the tubules

    Science.gov (United States)

    Lawrence, Marlon G.; Altenburg, Michael K.; Sanford, Ryan; Willett, Julian D.; Bleasdale, Benjamin; Ballou, Byron; Wilder, Jennifer; Li, Feng; Miner, Jeffrey H.; Berg, Ulla B.; Smithies, Oliver

    2017-01-01

    How the kidney prevents urinary excretion of plasma proteins continues to be debated. Here, using unfixed whole-mount mouse kidneys, we show that fluorescent-tagged proteins and neutral dextrans permeate into the glomerular basement membrane (GBM), in general agreement with Ogston's 1958 equation describing how permeation into gels is related to molecular size. Electron-microscopic analyses of kidneys fixed seconds to hours after injecting gold-tagged albumin, negatively charged gold nanoparticles, and stable oligoclusters of gold nanoparticles show that permeation into the lamina densa of the GBM is size-sensitive. Nanoparticles comparable in size with IgG dimers do not permeate into it. IgG monomer-sized particles permeate to some extent. Albumin-sized particles permeate extensively into the lamina densa. Particles traversing the lamina densa tend to accumulate upstream of the podocyte glycocalyx that spans the slit, but none are observed upstream of the slit diaphragm. At low concentrations, ovalbumin-sized nanoparticles reach the primary filtrate, are captured by proximal tubule cells, and are endocytosed. At higher concentrations, tubular capture is saturated, and they reach the urine. In mouse models of Pierson’s or Alport’s proteinuric syndromes resulting from defects in GBM structural proteins (laminin β2 or collagen α3 IV), the GBM is irregularly swollen, the lamina densa is absent, and permeation is increased. Our observations indicate that size-dependent permeation into the lamina densa of the GBM and the podocyte glycocalyx, together with saturable tubular capture, determines which macromolecules reach the urine without the need to invoke direct size selection by the slit diaphragm. PMID:28246329

  4. Nanoscale amphiphilic macromolecules as lipoprotein inhibitors: the role of charge and architecture

    Science.gov (United States)

    Wang, Jinzhong; Plourde, Nicole M; Iverson, Nicole; Moghe, Prabhas V; Uhrich, Kathryn E

    2007-01-01

    A series of novel amphiphilic macromolecules composed of alkyl chains as the hydrophobic block and poly(ethylene glycol) as the hydrophilic block were designed to inhibit highly oxidized low density lipoprotein (hoxLDL) uptake by synthesizing macromolecules with negatively charged moieties (ie, carboxylic acids) located in the two different blocks. The macromolecules have molecular weights around 5,500 g/mol, form micelles in aqueous solution with an average size of 20–35 nm, and display critical micelle concentration values as low as 10−7 M. Their charge densities and hydrodynamic size in physiological buffer solutions correlated with the hydrophobic/hydrophilic block location and quantity of the carboxylate groups. Generally, carboxylate groups located in the hydrophobic block destabilize micelle formation more than carboxylate groups in the hydrophilic block. Although all amphiphilic macromolecules inhibited unregulated uptake of hoxLDL by macrophages, inhibition efficiency was influenced by the quantity and location of the negatively charged-carboxylate on the macromolecules. Notably, negative charge is not the sole factor in reducing hoxLDL uptake. The combination of smaller size, micellar stability and charge density is critical for inhibiting hoxLDL uptake by macrophages. PMID:18203436

  5. Classification of the ejection mechanisms of charged macromolecules from liquid droplets

    Science.gov (United States)

    Consta, Styliani; Malevanets, Anatoly

    2013-01-01

    The relation between the charge state of a macromolecule and its ejection mechanism from droplets is one of the important questions in electrospray ionization methods. In this article, effects of solvent-solute interaction on the manifestation of the charge induced instability in a droplet are examined. We studied the instabilities in a prototype system of a droplet comprised of charged poly(ethylene glycol) and methanol, acetonitrile, and water solvents. We observed instances of three, previously only conjectured, [S. Consta, J. Phys. Chem. B 114, 5263 (2010), 10.1021/jp912119v] mechanisms of macroion ejection. The mechanism of ejection of charged macroion in methanol is reminiscent of "pearl" model in polymer physics. In acetonitrile droplets, the instability manifests through formation of solvent spines around the solvated macroion. In water, we find that the macroion is ejected from the droplet through contiguous extrusion of a part of the chain. The difference in the morphology of the instabilities is attributed to the interplay between forces arising from the macroion solvation energy and the surface energy of the droplet interface. For the contiguous extrusion of a charged macromolecule from a droplet, we demonstrate that the proposed mechanism leads to ejection of the macromolecule from droplets with sizes well below the Rayleigh limit. The ejected macromolecule may hold charge significantly higher than that suggested by prevailing theories. The simulations reveal new mechanisms of macroion evaporation that differ from conventional charge residue model and ion evaporation mechanisms.

  6. Bionic design for surface optimization combining hydrophilic and negative charged biological macromolecules.

    Science.gov (United States)

    Ran, Fen; Song, Haiming; Niu, Xiaoqin; Yang, Aimei; Nie, Shengqiang; Wang, Lingren; Li, Jie; Sun, Shudong; Zhao, Changsheng

    2014-06-01

    While polyethersulfone (PES) membrane represents a promising option for blood purification, the blood compatibility must be dramatically enhanced to meet today's ever-increasing demands for many emerging application. In this study, we report a bionic design for optimization and development of a modified PES membrane combining hydrophilic and negative charged biological macromolecules on its surface. The hydrophilic and ionic charged biological macromolecules sulfonated poly(styrene)-b-poly(methyl methacrylate)-b-poly-(styrene) (PSSMSS) and poly(vinyl pyrrolidone)-b-poly(methyl methacrylate)-b-poly-(vinyl pyrrolidone) were synthesized via reversible addition-fragmentation chain transfer polymerization and used together to modify PES membranes by blending method. A hydrophilic membrane surface with negative charged surface coating was obtained, imitating the hydrophilic and negatively charged structure feature of heparin. The modified PES membranes showed suppressed platelet adhesion, and a prolonged blood clotting time, and thereby improved blood compatibility. In addition, the blood clotting time of the modified membranes increased with the blended PSSMSS amounts increment, indicating that both the hydrophilic and negative charged groups play important roles in improving the blood compatibility of PES membranes.

  7. Ordinary-extraordinary transition in dynamics of solutions of charged macromolecules.

    Science.gov (United States)

    Muthukumar, Murugappan

    2016-10-24

    The occurrence of the ubiquitous and intriguing "ordinary-extraordinary" behavior of dynamics in solutions of charged macromolecules is addressed theoretically by explicitly considering counterions around the macromolecules. The collective and coupled dynamics of macromolecules and their counterion clouds in salt-free conditions are shown to lead to the "ordinary" behavior (also called the "fast" mode) where diffusion coefficients are independent of molar mass and polymer concentration and are comparable to those of isolated metallic ions in aqueous media, in agreement with experimental facts observed repeatedly over the past four decades. The dipoles arising from adsorbed counterions on polymer backbones can form many pairwise physical cross-links, leading to microgel-like aggregates. Balancing the swelling from excluded volume effects and counterion pressure with elasticity of the microgel, we show that there is a threshold value of a combination of polymer concentration and electrolyte concentration for the occurrence of the "extraordinary" phase (also called the "slow" mode) and the predicted properties of diffusion coefficient for this phase are in qualitative agreement with well-known experimental data.

  8. [Diffusion and diffusion-osmosis models of the charged macromolecule transfer in barriers of biosystems].

    Science.gov (United States)

    Varakin, A I; Mazur, V V; Arkhipova, N V; Serianov, Iu V

    2009-01-01

    Mathematical models of the transfer of charged macromolecules have been constructed on the basis of the classical equations of electromigration diffusion of Helmholtz-Smolukhovskii, Goldman, and Goldman-Hodgkin-Katz. It was shown that ion transfer in placental (mimicking lipid-protein barriers) and muscle barriers occurs by different mechanisms. In placental barriers, the electromigration diffusion occurs along lipid-protein channels formed due to the conformational deformation of phospholipid and protein molecules with the coefficients of diffusion D = (2.6-3.6) x 10(-8) cm2/s. The transfer in muscle barriers is due to the migration across charged interfibrillar channels with the negative diffusion activation energy, which is explained by changes in the structure of muscle fibers and expenditures of thermal energy for the extrusion of Cl- from channel walls with the diffusion coefficient D = (6.0-10.0) x 10(-6) cm2/s.

  9. Dielectric many-body effects in arrays of charged cylindrical macromolecules

    Science.gov (United States)

    Sinkovits, Daniel W.; Barros, Kipton; Dobnikar, Jure; Kandu&{Caron; C}, Matej; Naji, Ali; Podgornik, Rudolf; Luijten, Erik

    2012-02-01

    Nonuniform dielectric constants are a ubiquitous aspect of condensed-matter systems, but nevertheless widely ignored in simulations. Analytical work suggests that the polarization effects resulting from these inhomogeneities can produce many-body interactions that qualitatively alter the behavior of systems driven by electrostatic interactions, but such work relies on approximations. Recently, we have developed an algorithm that computes the fluctuating polarization charge at the interface between dielectric materials during a molecular dynamics simulation, without approximation. Here, we apply this approach to investigate arrays of charged cylindrical macromolecules in the presence of explicit counterions. We study the dielectric many-body effects as a function of separation, dielectric constant variation, and counterion valency. Our findings have implications for the aggregation of polyelectrolytes such as F-actin or DNA.

  10. Film Self-Assembly of Oppositely Charged Macromolecules Triggered by Electrochemistry through a Morphogenic Approach.

    Science.gov (United States)

    Dochter, Alexandre; Garnier, Tony; Pardieu, Elodie; Chau, Nguyet Trang Thanh; Maerten, Clément; Senger, Bernard; Schaaf, Pierre; Jierry, Loïc; Boulmedais, Fouzia

    2015-09-22

    The development of new surface functionalization methods that are easy to use, versatile, and allow local deposition represents a real scientific challenge. Overcoming this challenge, we present here a one-pot process that consists in self-assembling, by electrochemistry on an electrode, films made of oppositely charged macromolecules. This method relies on a charge-shifting polyanion, dimethylmaleic-modified poly(allylamine) (PAHd), that undergoes hydrolysis at acidic pH, leading to an overall switching of its charge. When a mixture of the two polyanions, PAHd and poly(styrenesulfonate) (PSS), is placed in contact with an electrode, where the pH is decreased locally by electrochemistry, the transformation of PAHd into a polycation (PAH) leads to the continuous self-assembly of a nanometric PAH/PSS film by electrostatic interactions. The pH decrease is obtained by the electrochemical oxidation of hydroquinone, which produces protons locally over nanometric distances. Using a negatively charged enzyme, alkaline phosphatase (AP), instead of PSS, this one-pot process allows the creation of enzymatically active films. Under mild conditions, self-assembled PAH/AP films have an enzymatic activity which is adjustable simply by controlling the self-assembly time. The selective functionalization of microelectrode arrays by PAH/AP was achieved, opening the route toward miniaturized biosensors.

  11. Effect of adsorption of charged macromolecules on streaming and membrane potential values measured with a microporous polysulfone membrane

    DEFF Research Database (Denmark)

    Benavente, J.; Jonsson, Gunnar Eigil

    1997-01-01

    Changes in streaming and membrane potentials measured across a commercial microporous polysulfone membrane as a result of the adsorption of differently charged macromolecules were studied. Measurements were carried out with different NaCl solutions (10(-3) M to 5 x 10(-2) M) and their mixtures...

  12. Using a water-confined carbon nanotube to probe the electricity of sequential charged segments of macromolecules

    Institute of Scientific and Technical Information of China (English)

    Wang Yu; Zhao Yan-Jiao; Huang Ji-Ping

    2012-01-01

    The detection of macromolecular conformation is particularly important in many physical and biological applications.Here we theoretically explore a method for achieving this detection by probing the electricity of sequential charged segments of macromolecules.Our analysis is based on molecular dynamics simulations,and we investigate a single file of water molecules confined in a half-capped single-walled carbon nanotube (SWCNT) with an external electric charge of +e or -e (e is the elementary charge).The charge is located in the vicinity of the cap of the SWCNT and along the centerline of the SWCNT.We reveal the picosecond timescaie for the re-orientation (namely,from one unidirectional direction to the other) of the water molecules in response to a switch in the charge signal,-e → +e or +e → e.Our results are well understood by taking into account the electrical interactions between the water molecules and between the water molecules and the external charge.Because such signals of re-orientation can be magnified and transported according to Tu et al.[2009 Proc.Natl.Acad.Sci.USA 106 18120],it becomes possible to record fingerprints of electric signals arising from sequential charged segments of a macromolecule,which are expected to be useful for recognizing the conformations of some particular macromolecules.

  13. Comprehensive approach to intrinsic charge carrier mobility in conjugated organic molecules, macromolecules, and supramolecular architectures.

    Science.gov (United States)

    Saeki, Akinori; Koizumi, Yoshiko; Aida, Takuzo; Seki, Shu

    2012-08-21

    Si-based inorganic electronics have long dominated the semiconductor industry. However, in recent years conjugated polymers have attracted increasing attention because such systems are flexible and offer the potential for low-cost, large-area production via roll-to-roll processing. The state-of-the-art organic conjugated molecular crystals can exhibit charge carrier mobilities (μ) that nearly match or even exceed that of amorphous silicon (1-10 cm(2) V(-1) s(-1)). The mean free path of the charge carriers estimated from these mobilities corresponds to the typical intersite (intermolecular) hopping distances in conjugated organic materials, which strongly suggests that the conduction model for the electronic band structure only applies to μ > 1 cm(2) V(-1) s(-1) for the translational motion of the charge carriers. However, to analyze the transport mechanism in organic electronics, researchers conventionally use a disorder formalism, where μ is usually less than 1 cm(2) V(-1) s(-1) and dominated by impurities, disorders, or defects that disturb the long-range translational motion. In this Account, we discuss the relationship between the alternating-current and direct-current mobilities of charge carriers, using time-resolved microwave conductivity (TRMC) and other techniques including field-effect transistor, time-of-flight, and space-charge limited current. TRMC measures the nanometer-scale mobility of charge carriers under an oscillating microwave electric field with no contact between the semiconductors and the metals. This separation allows us to evaluate the intrinsic charge carrier mobility with minimal trapping effects. We review a wide variety of organic electronics in terms of their charge carrier mobilities, and we describe recent studies of macromolecules, molecular crystals, and supramolecular architecture. For example, a rigid poly(phenylene-co-ethynylene) included in permethylated cyclodextrin shows a high intramolecular hole mobility of 0.5 cm(2) V

  14. State selective capture by highly charged Xe ions

    NARCIS (Netherlands)

    Hasan, V. G.; Knoop, S.; Morgenstern, R.; Hoekstra, R.; McCullough, RW; Currell, FJ; Greenwood, J; Gribakin, G; Scott, MP

    2007-01-01

    Single-electron capture in collisions of highly charged ions Xe18+ and Xe24+ with Na atoms is investigated by measuring the momenta of the Na recoil ions. The Q-value spectrum in Xe18+ + Na collisions shows capture into lower n states compared with Classical over-barrier model (CBM) calculations.

  15. Stimuli responsive charge-switchable lipids: Capture and release of nucleic acids.

    Science.gov (United States)

    Hersey, Joseph S; LaManna, Caroline M; Lusic, Hrvoje; Grinstaff, Mark W

    2016-03-01

    Stimuli responsive lipids, which enable control over the formation, transformation, and disruption of supramolecular assemblies, are of interest for biosensing, diagnostics, drug delivery, and basic transmembrane protein studies. In particular, spatiotemporal control over a supramolecular structure can be achieved using light activated compounds to induce significant supramolecular rearrangements. As such, a family of cationic lipids are described which undergo a permanent switch in charge upon exposure to 365 nm ultraviolet (UV) light to enable the capture of negatively charged nucleic acids within the self-assembled supramolecular structure of the lipids and subsequent release of these macromolecules upon exposure to UV light and disruption of the assemblies. The lipids are composed of either two different tripeptide head groups, Lysine-Glycine-Glycine (KGG) and Glycine-Glycine-Glycine (GGG) and three different hydrocarbon chain lengths (C6, C10, or C14) terminated by a UV light responsive 1-(2-nitrophenyl)ethanol (NPE) protected carboxylic acid. The photolysis of the NPE protected lipid is measured as a function of time, and the resulting changes in net molecular charge are observed using zeta potential analysis for each head group and chain length combination. A proof of concept study for the capture and release of both linear DNA (calf thymus) and siRNA is presented using an ethidium bromide quenching assay where a balance between binding affinity and supramolecular stability are found to be the key to optimal nucleic acid capture and release.

  16. Photons shedding light on electron capture by highly charged ions

    NARCIS (Netherlands)

    Hoekstra, Romke Anne

    1990-01-01

    In this thesis charge transfer is studied in collisions of highly charged ions (Aq+) with neutral particles (B). Because the electron is captured resonantly (i.e. without its binding energy) by the ion, a limited number of highly excited states (characterized by the quantum numbers nlm) is preferent

  17. Photons shedding light on electron capture by highly charged ions

    NARCIS (Netherlands)

    Hoekstra, Romke Anne

    1990-01-01

    In this thesis charge transfer is studied in collisions of highly charged ions (Aq+) with neutral particles (B). Because the electron is captured resonantly (i.e. without its binding energy) by the ion, a limited number of highly excited states (characterized by the quantum numbers nlm) is

  18. Insights into the mechanisms of electromediated gene delivery and application to the loading of giant vesicles with negatively charged macromolecules

    CERN Document Server

    Portet, Thomas; Teissié, Justin; Dean, David S; Rols, Marie-Pierre

    2011-01-01

    We present experimental results regarding the electrotransfer of plasmid DNA into phosphatidylcholine giant unilamellar vesicles (GUVs). Our observations indicate that a direct entry is the predominant mechanism of electrotransfer. A quantitative analysis of the DNA concentration increments inside the GUVs is also performed, and we find that our experimental data are very well described by a simple theoretical model in which DNA entry is mostly driven by electrophoresis. Our theoretical framework allows for the prediction of the amount of transfered DNA as a function of the electric field parameters, and thus paves the way towards a novel method for encapsulating with high efficiency not only DNA, but any negatively charged macromolecule into GUVs.

  19. Electron capture by highly charged ions from surfaces and gases

    Energy Technology Data Exchange (ETDEWEB)

    Allen, F.

    2008-01-11

    In this study highly charged ions produced in Electron Beam Ion Traps are used to investigate electron capture from surfaces and gases. The experiments with gas targets focus on spectroscopic measurements of the K-shell x-rays emitted at the end of radiative cascades following electron capture into Rydberg states of Ar{sup 17+} and Ar{sup 18+} ions as a function of collision energy. The ions are extracted from an Electron Beam Ion Trap at an energy of 2 keVu{sup -1}, charge-selected and then decelerated down to 5 eVu{sup -1} for interaction with an argon gas target. For decreasing collision energies a shift to electron capture into low orbital angular momentum capture states is observed. Comparative measurements of the K-shell x-ray emission following electron capture by Ar{sup 17+} and Ar{sup 18+} ions from background gas in the trap are made and a discrepancy in the results compared with those from the extraction experiments is found. Possible explanations are discussed. For the investigation of electron capture from surfaces, highly charged ions are extracted from an Electron Beam Ion Trap at energies of 2 to 3 keVu{sup -1}, charge-selected and directed onto targets comprising arrays of nanoscale apertures in silicon nitride membranes. The highly charged ions implemented are Ar{sup 16+} and Xe{sup 44+} and the aperture targets are formed by focused ion beam drilling in combination with ion beam assisted thin film deposition, achieving hole diameters of 50 to 300 nm and aspect ratios of 1:5 to 3:2. After transport through the nanoscale apertures the ions pass through an electrostatic charge state analyzer and are detected. The percentage of electron capture from the aperture walls is found to be much lower than model predictions and the results are discussed in terms of a capillary guiding mechanism. (orig.)

  20. Ion specificities of artificial macromolecules.

    Science.gov (United States)

    Liu, Lvdan; Kou, Ran; Liu, Guangming

    2016-12-21

    Artificial macromolecules are well-defined synthetic polymers, with a relatively simple structure as compared to naturally occurring macromolecules. This review focuses on the ion specificities of artifical macromolecules. Ion specificities are influenced by solvent-mediated indirect ion-macromolecule interactions and also by direct ion-macromolecule interactions. In aqueous solutions, the role of water-mediated indirect ion-macromolecule interactions will be discussed. The addition of organic solvents to aqueous solutions significantly changes the ion specificities due to the formation of water-organic solvent complexes. For direct ion-macromolecule interactions, we will discuss specific ion-pairing interactions for charged macromolecules and specific ion-neutral site interactions for uncharged macromolecules. When the medium conditions change from dilute solutions to crowded environments, the ion specificities can be modified by either the volume exclusion effect, the variation of dielectric constant, or the interactions between ions, macromolecules, and crowding agents.

  1. Absolute cross sections for charge capture from Rydberg targets by slow highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    DePaola, B.D.; Huang, M.; Winecki, S.; Stoeckli, M.P.; Kanai, Y. [J. R. Macdonald Laboratory, Kansas State University, Manhattan, Kansas 66506 (United States); Lundeen, S.R.; Fehrenbach, C.W.; Arko, S.A. [Department of Physics, Colorado State University, Fort Collins, Colorado 80523 (United States)

    1995-09-01

    A crossed beam experiment has been used to measure absolute charge capture cross sections in collisions of slow highly charged xenon ions with laser excited Rydberg atoms. The cross sections were measured for scaled projectile velocities {ital nv}{sub {ital p}} from 1.0 to 6.0, for projectile charges of 8, 16, 32, and 40, where {ital n} is the principal quantum number of the target electron. Experimental cross sections are compared with predictions of classical models.

  2. Organic fouling of thin-film composite polyamide and cellulose triacetate forward osmosis membranes by oppositely charged macromolecules.

    Science.gov (United States)

    Gu, Yangshuo; Wang, Yi-Ning; Wei, Jing; Tang, Chuyang Y

    2013-04-01

    Fouling of cellulose triacetate (CTA) and thin-film composite (TFC) forward osmosis (FO) membranes by organic macromolecules were studied using oppositely charged lysozyme (LYS) and alginate (ALG) as model foulants. Flux performance and foulant deposition on membranes were systematically investigated for a submerged membrane system. When an initial flux of 25 L/m(2)h was applied, both flux reduction and foulant mass deposition were severe for feed water containing the mixture of LYS and ALG (e.g., 50% LYS and 50% ALG at a total foulant concentration of 100 mg/L). In comparison, fouling was much milder for feed water containing either LYS or ALG alone. Compared to the CTA FO membrane, the TFC FO membrane showed greater fouling propensity under mild FO fouling conditions due to its much rougher surface. Nevertheless, under severe FO fouling conditions, fouling was dominated by foulant-deposited-foulant interaction and membrane surface properties played a less important role. Furthermore, when the feed water contained both LYS and ALG in sufficient amount, the deposited cake layer foulant composition (i.e., the LYS/ALG mass ratio) was not strongly affected by membrane types (CTA versus TFC) nor testing modes (pressure-driven NF mode versus osmosis-driven FO mode). In contrast, solution chemistry such as pH and calcium concentration had remarkable effect on the cake layer composition due to their effects on foulant-foulant interaction.

  3. Charged Covalent Triazine Frameworks for CO2 Capture and Conversion.

    Science.gov (United States)

    Buyukcakir, Onur; Je, Sang Hyun; Talapaneni, Siddulu Naidu; Kim, Daeok; Coskun, Ali

    2017-03-01

    The quest for the development of new porous materials addressing both CO2 capture from various sources and its conversion into useful products is a very active research area and also critical in order to develop a more sustainable and environmentally-friendly society. Here, we present the first charged covalent triazine framework (cCTF) prepared by simply heating nitrile functionalized dicationic viologen derivatives under ionothermal reaction conditions using ZnCl2 as both solvent and trimerization catalyst. It has been demonstrated that the surface area, pore volume/size of cCTFs can be simply controlled by varying the synthesis temperature and the ZnCl2 content. Specifically, increasing the reaction temperature led to controlled increase in the mesopore content and facilitated the formation of hierarchical porosity, which is critical to ensure efficient mass transport within porous materials. The resulting cCTFs showed high specific surface areas up to 1247 m(2) g(-1), and high physicochemical stability. The incorporation of ionic functional moieties to porous organic polymers improved substantially their CO2 affinity (up to 133 mg g(-1), at 1 bar and 273 K) and transformed them into hierarchically porous organocatalysts for CO2 conversion. More importantly, the ionic nature of cCTFs, homogeneous charge distribution together with hierarchical porosity offered a perfect platform for the catalytic conversion of CO2 into cyclic carbonates in the presence of epoxides through an atom economy reaction in high yields and exclusive product selectivity. These results clearly demonstrate the promising aspect of incorporation of charged units into the porous organic polymers for the development of highly efficient porous organocatalysts for CO2 capture and fixation.

  4. Borophene as a Promising Material for Charge-Modulated Switchable CO2 Capture.

    Science.gov (United States)

    Tan, Xin; Tahini, Hassan A; Smith, Sean C

    2017-06-14

    Ideal carbon dioxide (CO2) capture materials for practical applications should bind CO2 molecules neither too weakly to limit good loading kinetics nor too strongly to limit facile release. Although charge-modulated switchable CO2 capture has been proposed to be a controllable, highly selective, and reversible CO2 capture strategy, the development of a practical gas-adsorbent material remains a great challenge. In this study, by means of density functional theory (DFT) calculations, we have examined the possibility of conductive borophene nanosheets as promising sorbent materials for charge-modulated switchable CO2 capture. Our results reveal that the binding strength of CO2 molecules on negatively charged borophene can be significantly enhanced by injecting extra electrons into the adsorbent. At saturation CO2 capture coverage, the negatively charged borophene achieves CO2 capture capacities up to 6.73 × 10(14) cm(-2). In contrast to the other CO2 capture methods, the CO2 capture/release processes on negatively charged borophene are reversible with fast kinetics and can be easily controlled via switching on/off the charges carried by borophene nanosheets. Moreover, these negatively charged borophene nanosheets are highly selective for separating CO2 from mixtures with CH4, H2, and/or N2. This theoretical exploration will provide helpful guidance for identifying experimentally feasible, controllable, highly selective, and high-capacity CO2 capture materials with ideal thermodynamics and reversibility.

  5. Enhanced antidepressant-like effects of the macromolecule trefoil factor 3 by loading into negatively charged liposomes

    Directory of Open Access Journals (Sweden)

    Qin J

    2014-11-01

    Full Text Available Jing Qin,1 Xu Yang,1–3 Jia Mi,4 Jianxin Wang,1 Jia Hou,1,2 Teng Shen,1 Yongji Li,2 Bin Wang,4 Xuri Li,4 Weili Zhu5 1Department of Pharmaceutics, School of Pharmacy, Fudan University, Key Laboratory of Smart Drug Delivery, Ministry of Education, Shanghai, 2Department of Pharmaceutics, School of Pharmacy, Heilongjiang University of Chinese Medicine, Harbin, 3Department of Pharmacy, The Fifth People’s Hospital of Shanghai, Fudan University, Shanghai, 4Binzhou Medical University, Yantai, 5National Institute on Drug Dependence, Peking University, Beijing, People’s Republic of China Abstract: Immunocytes, mainly neutrophils and monocytes, exhibit an intrinsic homing property, enabling them to migrate to sites of injury and inflammation. They can thus act as Trojan horses carrying concealed drug cargoes while migrating across impermeable barriers to sites of disease, especially the blood–brain barrier (BBB. In this study, to target circulating phagocytic cells, we formulated negatively charged nanosize liposomes and loaded trefoil factor 3 (TFF3 into liposomes by the pH-gradient method. According to the optimized formulation (5:1.5 of lipid to cholesterol, 10:1 of lipid to drug, 10 mg/mL of lipid concentration, and 10 mmol/L of phosphate-buffered saline, 44.47% entrapment efficiency was obtained for TFF3 liposomes with 129.6 nm particle size and –36.6 mV zeta potential. Compared with neutrally charged liposomes, the negatively charged liposomes showed a strong binding capacity with monocytes and were effectively carried by monocytes to cross the BBB in vitro. Furthermore, enhanced antidepressant-like effects were found in the tail-suspension and forced-swim tests in mice, as measured by decreased immobility time, as well as increased swimming time and reduced immobility in rats. These results suggested that negatively charged liposomes could improve the behavioral responses of TFF3, and our study opens up a new way for the development of

  6. Ionization and single electron capture in collision of highly charged Ar16+ ions with helium

    Institute of Scientific and Technical Information of China (English)

    Wang Fei; Gou Bing-Cong

    2008-01-01

    This paper uses the two-centre atomic orbital close-coupling method to study the ionization and the single electron capture in collision of highly charged Ar16+ ions with He atoms in the velocity range of 1.2-1.9 a.u.. The relative importance of single ionization (SI) to single capture (SC) is explored. The comparison between the calculation and experimental data shows that the SI/SC cross section ratios from this work are in good agreement with experimental data. The total single electron ionization cross sections and the total single electron capture cross sections are also given for this collision. The investigation of the partial electron capture cross section shows a general tendency of capture to larger n and l with increasing velocity from 1.2 to 1.9 a.u..

  7. DOUBLE ELECTRON-CAPTURE INTO HIGHLY CHARGED IONS - CORRELATED OR INDEPENDENT

    NARCIS (Netherlands)

    POSTHUMUS, JH; LUKEY, P; MORGENSTERN, R

    1991-01-01

    We propose an independent-electron model for describing quantitatively the population of doubly excited (nlnl') states formed by two-electron capture into multiply charged ions. Population probabilities calculated by this model reproduce experimentally determined ones if one assumes that the

  8. THE INFLUENCE OF ANGULAR-MOMENTUM ON DOUBLE ELECTRON-CAPTURE BY HIGHLY CHARGED IONS

    NARCIS (Netherlands)

    POSTHUMUS, JH; LUKEY, P; MORGENSTERN, R

    1992-01-01

    Double electron capture during collisions of highly charged ions with H-2 or He is studied by measuring and analysing energy spectra of the resulting autoionization electrons and by comparing the experimentally determined population probabilities for the various states with those calculated from a

  9. Charge-controlled switchable CO2 capture on boron nitride nanomaterials.

    Science.gov (United States)

    Sun, Qiao; Li, Zhen; Searles, Debra J; Chen, Ying; Lu, Gaoqing Max; Du, Aijun

    2013-06-05

    Increasing concerns about the atmospheric CO2 concentration and its impact on the environment are motivating researchers to discover new materials and technologies for efficient CO2 capture and conversion. Here, we report a study of the adsorption of CO2, CH4, and H2 on boron nitride (BN) nanosheets and nanotubes (NTs) with different charge states. The results show that the process of CO2 capture/release can be simply controlled by switching on/off the charges carried by BN nanomaterials. CO2 molecules form weak interactions with uncharged BN nanomaterials and are weakly adsorbed. When extra electrons are introduced to these nanomaterials (i.e., when they are negatively charged), CO2 molecules become tightly bound and strongly adsorbed. Once the electrons are removed, CO2 molecules spontaneously desorb from BN absorbents. In addition, these negatively charged BN nanosorbents show high selectivity for separating CO2 from its mixtures with CH4 and/or H2. Our study demonstrates that BN nanomaterials are excellent absorbents for controllable, highly selective, and reversible capture and release of CO2. In addition, the charge density applied in this study is of the order of 10(13) cm(-2) of BN nanomaterials and can be easily realized experimentally.

  10. The role of electron capture and energy exchange of positively charged particles passing through matter

    CERN Document Server

    Ulmer, W

    2011-01-01

    The conventional treatment of the Bethe-Bloch equation for protons accounts for electron capture at the end of the projectile track by the small Barkas correction. This is only a possible way for protons, whereas for light and heavier charged nuclei the exchange of energy and charge along the track has to be accounted for by regarding the projectile charge q as a function of the residual energy. This leads to a significant modification of the Bethe-Bloch equation, otherwise the range in a medium is incorrectly determined. The LET in the Bragg peak domain and distal end is significantly influenced by the electron capture. A rather significant result is that in the domain of the Bragg peak the superiority of carbon ions is reduced compared to protons.

  11. DNA compaction by nonbinding macromolecules

    NARCIS (Netherlands)

    Vries, de R.J.

    2012-01-01

    Compaction of DNA by nonbinding macromolecules such as uncharged flexible polymer chains and negatively charged globular proteins is thought to have various applications in biophysics, for example in the formation of a nucleoid structure in bacteria. A simple experimental model that has been very

  12. DNA compaction by nonbinding macromolecules

    NARCIS (Netherlands)

    Vries, de R.J.

    2012-01-01

    Compaction of DNA by nonbinding macromolecules such as uncharged flexible polymer chains and negatively charged globular proteins is thought to have various applications in biophysics, for example in the formation of a nucleoid structure in bacteria. A simple experimental model that has been very we

  13. Multiple electron capture from isolated protein poly-anions in collision with slow highly charged ions.

    Science.gov (United States)

    Milosavljević, A R; Rousseau, P; Domaracka, A; Huber, B A; Giuliani, A

    2017-08-02

    Collisions of 375 keV Xe(25+) ions with trapped mass/charge selected poly-anions of the cytochrome C protein (∼12.5 kDa) were studied by coupling a linear quadrupole ion trap with low-energy ion beam facility. Tandem mass spectra were recorded for the protein precursor charge states ranging from -9 to -17. The present work reports the first study of slow highly charged ion collisions with poly-anions. A high signal to noise ratio allowed the study of the intensity of single and multiple electron removal by a projectile, as well as associated neutral losses, as a function of the target charge state. Relative single and double electron detachment cross sections were found to increase with increasing charge state of the precursor anion. The experimental findings are supported by the calculations of the total electron capture cross sections, based on the classical over-the-barrier model, restricted to a simple uniformly charged linear protein structure and a near-end electron capture.

  14. Correlated double electron capture in slow, highly charged ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Stolterfoht, N.; Havener, C.C.; Phaneuf, R.A.; Swenson, J.K.; Shafroth, S.M.; Meyer, F.W.

    1986-01-01

    Recent measurements of autoionization electrons produced in slow, highly charged ion-atom collisions are reviewed. Mechanisms for double electron capture into equivalent and nonequivalent configurations are analyzed by comparing the probabilities for the creation of L/sub 1/L/sub 23/X Coster Kronig electrons and L-Auger electrons. It is shown that the production of the Coster-Kronig electrons is due to electron correlation effects whose analysis leads beyond the independent-particle model. The importance of correlation effects on different capture mechanisms is discussed. 28 refs., 6 figs.

  15. Porous cationic polymers: the impact of counteranions and charges on CO2 capture and conversion.

    Science.gov (United States)

    Buyukcakir, Onur; Je, Sang Hyun; Choi, Dong Shin; Talapaneni, Siddulu Naiudu; Seo, Yongbeom; Jung, Yousung; Polychronopoulou, Kyriaki; Coskun, Ali

    2016-01-18

    Porous cationic polymers (PCPs) with surface areas up to 755 m(2) g(-1) bearing positively charged viologen units in their backbones and different counteranions have been prepared. We have demonstrated that by simply varying counteranions both gas sorption and catalytic properties of PCPs can be tuned for metal-free capture and conversion of CO2 into value-added products such as cyclic carbonates with excellent yields.

  16. Adiabatic description of capture into resonance and surfatron acceleration of charged particles by electromagnetic waves.

    Science.gov (United States)

    Artemyev, A V; Neishtadt, A I; Zelenyi, L M; Vainchtein, D L

    2010-12-01

    We present an analytical and numerical study of the surfatron acceleration of nonrelativistic charged particles by electromagnetic waves. The acceleration is caused by capture of particles into resonance with one of the waves. We investigate capture for systems with one or two waves and provide conditions under which the obtained results can be applied to systems with more than two waves. In the case of a single wave, the once captured particles never leave the resonance and their velocity grows linearly with time. However, if there are two waves in the system, the upper bound of the energy gain may exist and we find the analytical value of that bound. We discuss several generalizations including the relativistic limit, different wave amplitudes, and a wide range of the waves' wavenumbers. The obtained results are used for qualitative description of some phenomena observed in the Earth's magnetosphere. © 2010 American Institute of Physics.

  17. Biological Macromolecule Crystallization Database

    Science.gov (United States)

    SRD 21 Biological Macromolecule Crystallization Database (Web, free access)   The Biological Macromolecule Crystallization Database and NASA Archive for Protein Crystal Growth Data (BMCD) contains the conditions reported for the crystallization of proteins and nucleic acids used in X-ray structure determinations and archives the results of microgravity macromolecule crystallization studies.

  18. Possibility of resonant capture of antiprotons by highly charged hydrogenlike ions

    Science.gov (United States)

    Genkin, M.; Lindroth, E.

    2009-02-01

    Recently, an experimental setup was proposed by Lapierre et al. [ Physics with ultra slow antiproton beams, AIP Conference Proceedings (2005), Vol. 793, p. 361] which would allow antiprotons and highly charged ions to collide repeatedly in an electron beam ion trap (EBIT) due to a nested trap configuration. As mentioned by the authors, such a setup may open the possibility to study antiproton capture into well-defined states through a resonant process which involves simultaneous electron excitation. In the present work, we give some theoretical estimations of the feasibility of that process.

  19. The observation of charge exchange of pions captured in several nuclei

    Science.gov (United States)

    Bassalleck, B.; Corriveau, F.; Hasinoff, M. D.; Marks, T.; Measday, D. F.; Poutissou, J.-M.; Salomon, M.

    1981-06-01

    We have measured for the first time the branching ratios of the charge exchange of stopped negative pions in targets of 6Li, Al, Ti, Cu, Nb and Pb. These branching ratios are of the order of 10 -6, about an order of magnitude smaller than the upper limit previously established. Using the branching ratio for radiative pion capture in 6Li to the ground state of 6He we obtain the Panofsky ratio in 6Li, P6 = (8.7 ± 2.3) × 10 -4.

  20. Quantized Hamiltonian dynamics captures the low-temperature regime of charge transport in molecular crystals.

    Science.gov (United States)

    Wang, Linjun; Akimov, Alexey V; Chen, Liping; Prezhdo, Oleg V

    2013-11-07

    The quantized Hamiltonian dynamics (QHD) theory provides a hierarchy of approximations to quantum dynamics in the Heisenberg representation. We apply the first-order QHD to study charge transport in molecular crystals and find that the obtained equations of motion coincide with the Ehrenfest theory, which is the most widely used mixed quantum-classical approach. Quantum initial conditions required for the QHD variables make the dynamics surpass Ehrenfest. Most importantly, the first-order QHD already captures the low-temperature regime of charge transport, as observed experimentally. We expect that simple extensions to higher-order QHDs can efficiently represent other quantum effects, such as phonon zero-point energy and loss of coherence in the electronic subsystem caused by phonons.

  1. Electron capture rates in stars studied with heavy ion charge exchange reactions

    CERN Document Server

    Bertulani, C A

    2015-01-01

    Indirect methods using nucleus-nucleus reactions at high energies (here, high energies mean $\\sim$ 50 MeV/nucleon and higher) are now routinely used to extract information of interest for nuclear astrophysics. This is of extreme relevance as many of the nuclei involved in stellar evolution are short-lived. Therefore, indirect methods became the focus of recent studies carried out in major nuclear physics facilities. Among such methods, heavy ion charge exchange is thought to be a useful tool to infer Gamow-Teller matrix elements needed to describe electron capture rates in stars and also double beta-decay experiments. In this short review, I provide a theoretical guidance based on a simple reaction model for charge exchange reactions.

  2. Evaluation of magnetic particles modified with a hydrophobic charge-induction ligand for antibody capture.

    Science.gov (United States)

    Gu, Jia-Li; Tong, Hong-Fei; Lin, Dong-Qiang

    2016-08-19

    Magnetic particles modified with 5-amino-benzimidazole (ABI), a ligand for hydrophobic charge-induction chromatography, were prepared and used for antibody capture. In this study, with IgG as the model target, and bovine serum albumin (BSA) as the model impurity, the separation mechanism and process of IgG was investigated. The adsorption isotherms of IgG and BSA were measured, and the effects of pH were investigated in the range of pH 4.0-8.0. The maximum adsorption capacity of IgG on the particles was 180mg/ml at pH 7.0, while low adsorption capacity of BSA (64mg/ml) was found at pH 7.0, resulting in good selectivity. The protein-ligand interactions were elucidated by adding NaCl and glycerol. The results indicated the hydrophobic interactions were the main forces for IgG-ligand association. Moreover, the batch uptake and desorption experiments demonstrated the fast adsorption and desorption processes for IgG separation. The purity of IgG separated from mimetic serum could reach 98.6%, and the purity of monoclonal antibody (mAb) from a cell culture supernatant was 97.1%. Magnetic particles with hydrophobic charge-induction ligands showed a robust performance and could purify antibody directly from the complicated feedstock without clarification, which would improve the efficiency of antibody purification.

  3. Layered Graphene-Hexagonal BN Nanocomposites: Experimentally Feasible Approach to Charge-Induced Switchable CO2 Capture.

    Science.gov (United States)

    Tan, Xin; Kou, Liangzhi; Smith, Sean C

    2015-09-07

    Recently, inducing negative charge density on hexagonal boron nitride (h-BN) has been predicted as an effective strategy for controllable, selective, and reversible CO2 capture. However, h-BN is a wide-gap semiconductor and it is not clear how to effectively induce the requisite negative charge density. In this paper, we employ first-principle calculations to propose hybrid h-BN-graphene (hybrid BN/G) nanosheets as an experimentally feasible strategy to induce charge on h-BN for charge-controlled CO2 capture. The results indicate that the charge density is effectively transferred from the graphene layer with high electronic mobility into the h-BN layer on the surface, regardless of the thickness of BN layers, such that CO2 capture/release can be simply controlled by switching on/off the charge states of hybrid BN/G system. In addition, these negatively charged hybrid BN/G are highly selective for separating CO2 from mixtures with CH4 , N2 , and/or H2 .

  4. Silicification and biosilicification Part 5. An investigation of the silica structures formed at weakly acidic pH and neutral pH as facilitated by cationically charged macromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Patwardhan, Siddharth V.; Clarson, Stephen J

    2003-06-10

    Biosilicification in diatoms has been reported to occur at (or close to) neutral pH and it has been shown that protein molecules can act as catalysts/templates/scaffolds for this elegant materials chemistry. Here we report the formation of silica spheres from an aqueous silica precursor as facilitated by both poly-L-lysine (PLL) and poly(allylamine hydrochloride) (PAH) at pH 6.0 and under ambient conditions. It was observed by scanning electron microscopy (SEM) that there were morphological differences in the silica formed at pH 6 when compared to the silica morphologies formed using the same macromolecules at neutral pH. Notably, a bimodal distribution of silica particles was seen for both the PLL and PAH systems at pH 6. These results are compared and contrasted with those previously reported for the pH dependence of silicification and biosilicification and in particular, those obtained for the pH dependence of silica formation in the presence silaffin proteins isolated form the diatom C. fusiformis. The findings for these cationically charged macromolecules suggest that lysine may be an important amino acid in the primary sequence of proteins that catalyze the formation of silica structures in vivo.

  5. Macromolecule-Assisted de novo Protein Folding

    Science.gov (United States)

    Choi, Seong Il; Son, Ahyun; Lim, Keo-Heun; Jeong, Hotcherl; Seong, Baik L.

    2012-01-01

    In the processes of protein synthesis and folding, newly synthesized polypeptides are tightly connected to the macromolecules, such as ribosomes, lipid bilayers, or cotranslationally folded domains in multidomain proteins, representing a hallmark of de novo protein folding environments in vivo. Such linkage effects on the aggregation of endogenous polypeptides have been largely neglected, although all these macromolecules have been known to effectively and robustly solubilize their linked heterologous proteins in fusion or display technology. Thus, their roles in the aggregation of linked endogenous polypeptides need to be elucidated and incorporated into the mechanisms of de novo protein folding in vivo. In the classic hydrophobic interaction-based stabilizing mechanism underlying the molecular chaperone-assisted protein folding, it has been assumed that the macromolecules connected through a simple linkage without hydrophobic interactions and conformational changes would make no effect on the aggregation of their linked polypeptide chains. However, an increasing line of evidence indicates that the intrinsic properties of soluble macromolecules, especially their surface charges and excluded volume, could be important and universal factors for stabilizing their linked polypeptides against aggregation. Taken together, these macromolecules could act as folding helpers by keeping their linked nascent chains in a folding-competent state. The folding assistance provided by these macromolecules in the linkage context would give new insights into de novo protein folding inside the cell. PMID:22949867

  6. COINCIDENCES BETWEEN ELECTRONS AND TARGET IONS TO IDENTIFY CAPTURE CHANNELS IN COLLISIONS OF MULTIPLY CHARGED IONS ON GAS TARGETS

    NARCIS (Netherlands)

    POSTHUMUS, JH; MORGENSTERN, R

    1992-01-01

    We have investigated multielectron capture processes in collisions of Ar9+ on Ar by measuring the resulting Auger electrons in coincidence with charge-state-analyzed target ions. In this way it was possible to reconstruct partial electron energy spectra, each corresponding to a particular number of

  7. Capturing "Extraordinary" Soft-Assembled Charge-Like Polypeptides as a Strategy for Nanocarrier Design.

    Science.gov (United States)

    Duro-Castano, Aroa; Nebot, Vicent J; Niño-Pariente, Amaya; Armiñán, Ana; Arroyo-Crespo, Juan J; Paul, Alison; Feiner-Gracia, Natalia; Albertazzi, Lorenzo; Vicent, María J

    2017-08-23

    The rational design of nanomedicines is a challenging task given the complex architectures required for the construction of nanosized carriers with embedded therapeutic properties and the complex interface of these materials with the biological environment. Herein, an unexpected charge-like attraction mechanism of self-assembly for star-shaped polyglutamates in nonsalty aqueous solutions is identified, which matches the ubiquitous "ordinary-extraordinary" phenomenon previously described by physicists. For the first time, a bottom-up methodology for the stabilization of these nanosized soft-assembled star-shaped polyglutamates is also described, enabling the translation of theoretical research into nanomaterials with applicability within the drug-delivery field. Covalent capture of these labile assemblies provides access to unprecedented architectures to be used as nanocarriers. The enhanced in vitro and in vivo properties of these novel nanoconstructs as drug-delivery systems highlight the potential of this approach for tumor-localized as well as lymphotropic delivery. © 2017 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. General Differential Contact Identities for Macromolecules.

    Science.gov (United States)

    Landy, Jonathan; Pincus, P A; Jho, YongSeok

    2015-10-16

    We discuss general Maxwell identities relating a macromolecule's charge, the forces acting at its surface, and the osmotic pressure of the solution in which it sits. The identities are closely related to the contact value relations that hold for certain special geometries, but are more general. In particular, the Maxwell identities can be applied to any macromolecule geometry, and they hold both within and outside of mean-field theory. Examples illustrate that combining the identities with approximate treatments of screening can often return simple, accurate osmotic pressure estimates.

  9. Electron Capture in Collisions of Slow Highly Charged Ions with an Atom and a Molecule: Processes and Fragmentation Dynamics

    Directory of Open Access Journals (Sweden)

    Xavier Husson

    2002-03-01

    Full Text Available Abstract : Processes involved in slow collisions between highly charged ions (HCI and neutral targets are presented. First, the mechanisms responsible for double electron capture are discussed. We show that, while the electron-nucleus interaction is expected to be dominant at projectile velocities of about 0.5 a.u., the electron-electron interaction plays a decisive role during the collision and gains importance when the projectile velocity decreases. This interaction has also to be invoked in the capture of core electrons by HCI. Finally, the molecular fragmentation of H2 following the impact of HCI is studied.

  10. Analysis of macromolecules, ligands and macromolecule-ligand complexes

    Science.gov (United States)

    Von Dreele, Robert B [Los Alamos, NM

    2008-12-23

    A method for determining atomic level structures of macromolecule-ligand complexes through high-resolution powder diffraction analysis and a method for providing suitable microcrystalline powder for diffraction analysis are provided. In one embodiment, powder diffraction data is collected from samples of polycrystalline macromolecule and macromolecule-ligand complex and the refined structure of the macromolecule is used as an approximate model for a combined Rietveld and stereochemical restraint refinement of the macromolecule-ligand complex. A difference Fourier map is calculated and the ligand position and points of interaction between the atoms of the macromolecule and the atoms of the ligand can be deduced and visualized. A suitable polycrystalline sample of macromolecule-ligand complex can be produced by physically agitating a mixture of lyophilized macromolecule, ligand and a solvent.

  11. A Course on Macromolecules.

    Science.gov (United States)

    Horta, Arturo

    1985-01-01

    Describes a senior-level course that: (1) focuses on the structure and reactions of macromolecules; (2) treats industrial polymers in a unified way; and (3) uses analysis of conformation and conformational statistics as a unifying approach. Also discusses course topics, including polysaccharides, proteins, nucleic acids, and others. (JN)

  12. Effect of collective response on electron capture and excitation in collisions of highly charged ions with fullerenes.

    Science.gov (United States)

    Kadhane, U; Misra, D; Singh, Y P; Tribedi, Lokesh C

    2003-03-07

    Projectile deexcitation Lyman x-ray emission following electron capture and K excitation has been studied in collisions of bare and Li-like sulphur ions (of energy 110 MeV) with fullerenes (C(60)/C(70)) and different gaseous targets. The intensity ratios of different Lyman x-ray lines in collisions with fullerenes are found to be substantially lower than those for the gas targets, both for capture and excitation. This has been explained in terms of a model based on "solidlike" effect, namely, wakefield induced stark mixing of the excited states populated via electron capture or K excitation: a collective phenomenon of plasmon excitation in the fullerenes under the influence of heavy, highly charged ions.

  13. Construction with macromolecules

    Directory of Open Access Journals (Sweden)

    Stefan Hecht

    2005-03-01

    Full Text Available The generation of nanosized features via the bottom-up organization of individual atoms and molecules represents one of the most rapidly emerging fields in modern science and technology. In order to gain general and modular access to nanostructures, a construction kit consisting of molecular building blocks with defined nanoscale dimensions, shape, and functionality is required. While nature has developed a hierarchical strategy to construct sophisticated and complex nanostructures, chemistry is just starting to explore artificial macromolecules as a means to synthesize specific nano-objects. In this review, recent advances in achieving control over conformation within macromolecules and the interconnection of conformationally defined subunits by either covalent bonds or self-assembly are discussed in analogy to natural structure evolution.

  14. Behavior of macromolecules in adsorbed layers

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    A model for describing the behavior of macromolecules in adsorbed layers is developed by introducing a concept of distribution density of layer thickness U based on stochastic process and probabilistic statistics. The molecular behavior of layers adsorbed on clay particle surfaces is discussed; the random distribution and its statistics of the layer thickness are given by incorporating experimental results with an ionic polyelectrolyte with the molecular weight of 1.08×106 and chain charged density of 0.254.

  15. First state selective electron capture measurements with trapped highly charged ions

    NARCIS (Netherlands)

    Bliek, F.W.; Woestenenk, G.R.; Hoekstra, R.A.; Morgenstern, R.W.H.

    1997-01-01

    The first state selective electron capture cross section measurements at eV energies are reported for collisions between C4+ ions and H-2 molecules. The cross sections are measured in a crossed beam experiment by means of Photon Emission Spectroscopy. The ion beams are decelerated in an octopole ion

  16. ELECTRON-CAPTURE IN HIGHLY-CHARGED ION-ATOM COLLISIONS

    NARCIS (Netherlands)

    MORGENSTERN, R

    1993-01-01

    An attempt is made to identify the most important mechanisms responsible for the rearrangement of electrons during collisions between multiply charged ions and atoms at keV energies. It is discussed to which extent the influence of binding energy, angular momentum of heavy particles and electrons, a

  17. ELECTRON-CAPTURE IN HIGHLY-CHARGED ION-ATOM COLLISIONS

    NARCIS (Netherlands)

    MORGENSTERN, R

    1993-01-01

    An attempt is made to identify the most important mechanisms responsible for the rearrangement of electrons during collisions between multiply charged ions and atoms at keV energies. It is discussed to which extent the influence of binding energy, angular momentum of heavy particles and electrons,

  18. Fragmentation dynamics of CO(2)(3+) investigated by multiple electron capture in collisions with slow highly charged ions.

    Science.gov (United States)

    Neumann, N; Hant, D; Schmidt, L Ph H; Titze, J; Jahnke, T; Czasch, A; Schöffler, M S; Kreidi, K; Jagutzki, O; Schmidt-Böcking, H; Dörner, R

    2010-03-12

    Fragmentation of highly charged molecular ions or clusters consisting of more than two atoms can proceed in a one step synchronous manner where all bonds break simultaneously or sequentially by emitting one ion after the other. We separated these decay channels for the fragmentation of CO(2)(3+) ions by measuring the momenta of the ionic fragments. We show that the total energy deposited in the molecular ion is a control parameter which switches between three distinct fragmentation pathways: the sequential fragmentation in which the emission of an O(+) ion leaves a rotating CO(2+) ion behind that fragments after a time delay, the Coulomb explosion and an in-between fragmentation--the asynchronous dissociation. These mechanisms are directly distinguishable in Dalitz plots and Newton diagrams of the fragment momenta. The CO(2)(3+) ions are produced by multiple electron capture in collisions with 3.2 keV/u Ar(8+) ions.

  19. Diffusion of macromolecules through sclera.

    Science.gov (United States)

    Miao, Heng; Wu, Bi-Dong; Tao, Yong; Li, Xiao-Xin

    2013-02-01

    To quantify the in vitro permeability coefficient over different topographical locations of porcine sclera to macromolecules with different molecular weight. Fresh equatorial and posterior superotemporal porcine sclera was mounted in a two-chamber diffusion apparatus, and its permeability to fluorescein isothiocyanate (FITC)-conjugated dextrans ranging in molecular weight from 40 kDa to 150 kDa was determined by fluorescence spectrophotometry. The sclera was processed as frozen sections and viewed with a fluorescence microscope. The thickness of the area and the thickness that macromolecules enriched in the surface of sclera were measured. The permeability coefficient (Pc) of porcine sclera to macromolecules was significantly higher (40 kDa, p = 0.028; 70 kDa, p = 0.033; 150 kDa, p = 0.007) in equatorial region than posterior, which could be attributed to the significant difference of thickness (p macromolecules enriched in the scleral surface was thicker for those with larger MW (p macromolecules. Larger macromolecules are more likely to accumulate in scleral surface. The difference between topographical locations may have pharmacokinetic implications when considering transscleral diffusion of macromolecules. © 2012 The Authors. Acta Ophthalmologica © 2012 Acta Ophthalmologica Scandinavica Foundation.

  20. Convolution/deconvolution of generalized Gaussian kernels with applications to proton/photon physics and electron capture of charged particles

    CERN Document Server

    Ulmer, W

    2012-01-01

    Scatter processes of photons lead to blurring of images produced by CT (computed tomography) or CBCT (cone beam computed tomography) in the KV domain or portal imaging in the MV domain (KV: kilovolt age, MV: megavoltage). Multiple scatter is described by, at least, one Gaussian kernel. In various situations, this approximation is crude, and we need two/three Gaussian kernels to account for the long-range tails (Landau tails), which appear in the Moli\\`ere scatter of protons, energy straggling and electron capture of charged particles passing through matter and Compton scatter of photons. The ideal image (source function) is subjected to Gaussian convolutions to yield a blurred image recorded by a detector array. The inverse problem is to obtain the ideal source image from measured image. Deconvolution methods of linear combinations of two/three Gaussian kernels with different parameters s0, s1, s2 can be derived via an inhomogeneous Fredholm integral equation of second kind (IFIE2) and Liouville - Neumann ser...

  1. Physicochemical Properties of Ion Pairs of Biological Macromolecules.

    Science.gov (United States)

    Iwahara, Junji; Esadze, Alexandre; Zandarashvili, Levani

    2015-09-30

    Ion pairs (also known as salt bridges) of electrostatically interacting cationic and anionic moieties are important for proteins and nucleic acids to perform their function. Although numerous three-dimensional structures show ion pairs at functionally important sites of biological macromolecules and their complexes, the physicochemical properties of the ion pairs are not well understood. Crystal structures typically show a single state for each ion pair. However, recent studies have revealed the dynamic nature of the ion pairs of the biological macromolecules. Biomolecular ion pairs undergo dynamic transitions between distinct states in which the charged moieties are either in direct contact or separated by water. This dynamic behavior is reasonable in light of the fundamental concepts that were established for small ions over the last century. In this review, we introduce the physicochemical concepts relevant to the ion pairs and provide an overview of the recent advancement in biophysical research on the ion pairs of biological macromolecules.

  2. Hybrid Opto-electric Manipulation of Macromolecules

    Science.gov (United States)

    Wereley, Steve

    2013-11-01

    Recently our research group has developed an innovative method for capturing, concentrating, manipulating and sorting populations of micro- and nanometer-scaled entities-particles, cells, macro-molecules, etc. These populations range from individual particles to thousands of particles (Lab-on-a-Chip, 2008; Microfluidics and Nanofluidics, 2008) while the sizes range from microns to nanometers. This novel technique combines features of optical trapping and dielectrophoresis in an innovative, dynamic way using a simple parallel plate electrode configuration. Transparent electrodes comprised of Indium Tin Oxide (ITO) on glass substrates are used to generate an electric field in the fluid while at the same time allowing light into and out of the fluid. Near-IR optical illumination causes subtle localized heating, creating an electric permittivity gradient that in turn drives a microscopic toroidal vortex. The vortex efficiently transports particles to a preferred location, usually the surface of the electrode. Recent advances have extended have allowed us to apply this technique to macromolecules (DNA, proteins) as well as nanoscale particles (quantum dots, nanowires and PSL particles).

  3. Macromolecules in Undergraduate Physical Chemistry.

    Science.gov (United States)

    Mattice, Wayne L.

    1981-01-01

    Suggests the topic of macromolecules and synthetic polymers be included in undergraduate courses. Two macromolecular systems (polyethylene in a state unperturbated by long-range interactions and a polypeptide undergoing a helix-coil transition) are described which are suitable for inclusion in the statistical mechanics section of physical…

  4. Ion binding to biological macromolecules.

    Science.gov (United States)

    Petukh, Marharyta; Alexov, Emil

    2014-11-01

    Biological macromolecules carry out their functions in water and in the presence of ions. The ions can bind to the macromolecules either specifically or non-specifically, or can simply to be a part of the water phase providing physiological gradient across various membranes. This review outlines the differences between specific and non-specific ion binding in terms of the function and stability of the corresponding macromolecules. Furthermore, the experimental techniques to identify ion positions and computational methods to predict ion binding are reviewed and their advantages compared. It is indicated that specifically bound ions are relatively easier to be revealed while non-specifically associated ions are difficult to predict. In addition, the binding and the residential time of non-specifically bound ions are very much sensitive to the environmental factors in the cells, specifically to the local pH and ion concentration. Since these characteristics differ among the cellular compartments, the non-specific ion binding must be investigated with respect to the sub-cellular localization of the corresponding macromolecule.

  5. Chaperoning roles of macromolecules interacting with proteins in vivo.

    Science.gov (United States)

    Choi, Seong Il; Lim, Keo-Heun; Seong, Baik L

    2011-01-01

    The principles obtained from studies on molecular chaperones have provided explanations for the assisted protein folding in vivo. However, the majority of proteins can fold without the assistance of the known molecular chaperones, and little attention has been paid to the potential chaperoning roles of other macromolecules. During protein biogenesis and folding, newly synthesized polypeptide chains interact with a variety of macromolecules, including ribosomes, RNAs, cytoskeleton, lipid bilayer, proteolytic system, etc. In general, the hydrophobic interactions between molecular chaperones and their substrates have been widely believed to be mainly responsible for the substrate stabilization against aggregation. Emerging evidence now indicates that other features of macromolecules such as their surface charges, probably resulting in electrostatic repulsions, and steric hindrance, could play a key role in the stabilization of their linked proteins against aggregation. Such stabilizing mechanisms are expected to give new insights into our understanding of the chaperoning functions for de novo protein folding. In this review, we will discuss the possible chaperoning roles of these macromolecules in de novo folding, based on their charge and steric features.

  6. Chaperoning Roles of Macromolecules Interacting with Proteins in Vivo

    Directory of Open Access Journals (Sweden)

    Baik L. Seong

    2011-03-01

    Full Text Available The principles obtained from studies on molecular chaperones have provided explanations for the assisted protein folding in vivo. However, the majority of proteins can fold without the assistance of the known molecular chaperones, and little attention has been paid to the potential chaperoning roles of other macromolecules. During protein biogenesis and folding, newly synthesized polypeptide chains interact with a variety of macromolecules, including ribosomes, RNAs, cytoskeleton, lipid bilayer, proteolytic system, etc. In general, the hydrophobic interactions between molecular chaperones and their substrates have been widely believed to be mainly responsible for the substrate stabilization against aggregation. Emerging evidence now indicates that other features of macromolecules such as their surface charges, probably resulting in electrostatic repulsions, and steric hindrance, could play a key role in the stabilization of their linked proteins against aggregation. Such stabilizing mechanisms are expected to give new insights into our understanding of the chaperoning functions for de novo protein folding. In this review, we will discuss the possible chaperoning roles of these macromolecules in de novo folding, based on their charge and steric features.

  7. INFLUENCE OF MACROMOLECULES ON CHEMICAL TRANSPORT

    Science.gov (United States)

    Macromolecules in the pore fluid influence the mobility of hydrophobic compounds through soils. his study evaluated the significance of macromolecules in facilitating chemical transport under laboratory conditions. Partition coefficients between 14C-labeled hexachlorobenzene and ...

  8. Atomic data for neutron-capture elements III. Charge transfer rate coefficients for low-charge ions of Ge, Se, Br, Kr, Rb, and Xe

    CERN Document Server

    Sterling, N C

    2011-01-01

    We present total and final-state resolved charge transfer (CT) rate coefficients for low-charge Ge, Se, Br, Kr, Rb, and Xe ions reacting with neutral hydrogen over the temperature range 10^2--10^6 K. Each of these elements has been detected in ionized astrophysical nebulae, particularly planetary nebulae. CT rate coefficients are a key ingredient for the ionization equilibrium solutions needed to determine total elemental abundances from those of the observed ions. A multi-channel Landau Zener approach was used to compute rate coefficients for projectile ions with charges q=2-5, and for singly-charged ions the Demkov approximation was utilized. Our results for five-times ionized species are lower limits, due to the incompleteness of level energies in the NIST database. In addition, we computed rate coefficients for charge transfer ionization reactions between the neutral species of the above six elements and ionized hydrogen. The resulting total and state-resolved CT rate coefficients are tabulated and availa...

  9. Level-resolved quantum statistical theory of electron capture into many-electron compound resonances in highly charged ions

    CERN Document Server

    Berengut, J C; Dzuba, V A; Flambaum, V V; Gribakin, G F

    2015-01-01

    The strong mixing of many-electron basis states in excited atoms and ions with open $f$ shells results in very large numbers of complex, chaotic eigenstates that cannot be computed to any degree of accuracy. Describing the processes which involve such states requires the use of a statistical theory. Electron capture into these 'compound resonances' leads to electron-ion recombination rates that are orders of magnitude greater than those of direct, radiative recombination, and cannot be described by standard theories of dielectronic recombination. Previous statistical theories considered this as a two-electron capture process which populates a pair of single-particle orbitals, followed by 'spreading' of the two-electron states into chaotically mixed eigenstates. This method is similar to a configuration-average approach, as it neglects potentially important effects of spectator electrons and conservation of total angular momentum. In this work we develop a statistical theory which considers electron capture in...

  10. The radiation chemistry of macromolecules

    CERN Document Server

    1973-01-01

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

  11. Configurational diffusion of coal macromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Guin, J.A.; Curtis, C.W.; Tarrer, A.R.; Kim, S.; Hwang, D.; Chen, C.C.; Chiou, Z.

    1991-01-01

    The objective of our research was to obtain fundamental information regarding the functional dependence of the diffusion coefficient of coal molecules on the ratio of molecule to pore diameter. That is, the objective of our study was to examine the effect of molecule size and configuration on hindered diffusion of coal macromolecules through as porous medium. To best accomplish this task, we circumvented the complexities of an actual porous catalyst by using a well defined porous matrix with uniform capillaric pores, i.e., a track-etched membrane. In this way, useful information was obtained regarding the relationship of molecular size and configuration on the diffusion rate of coal derived macromolecules through a pore structure with known geometry. Similar studies were performed using a pellet formed of porous alumina, to provide a link between the idealized membranes and the actual complex pore structure of real catalyst extrudates. The fundamental information from our study will be useful toward the tailoring of catalysts to minimize diffusional influences and thereby increase coal conversion and selectivity for desirable products. (VC)

  12. Adsorption of heterogeneously charged nanoparticles on a variably charged surface by the extended surface complexation approach: Charge regulation, chemical heterogeneity, and surface complexation

    NARCIS (Netherlands)

    Saito, T.; Koopal, L.K.; Nagasaki, S.; Tanaka, S.

    2008-01-01

    Adsorption of randomly branched polyelectrolytes, hairy particles and internally structured macromolecules, collectively denoted as heterogeneously charged nanoparticles, on charged surfaces is important in. many technological and natural processes. In this paper, we will focus on (1) the charge

  13. Adsorption of heterogeneously charged nanoparticles on a variably charged surface by the extended surface complexation approach: Charge regulation, chemical heterogeneity, and surface complexation

    NARCIS (Netherlands)

    Saito, T.; Koopal, L.K.; Nagasaki, S.; Tanaka, S.

    2008-01-01

    Adsorption of randomly branched polyelectrolytes, hairy particles and internally structured macromolecules, collectively denoted as heterogeneously charged nanoparticles, on charged surfaces is important in. many technological and natural processes. In this paper, we will focus on (1) the charge reg

  14. Charge-changing transitions and capture strengths of pf-shell nuclei with $T_{z} = -2$ at proton drip-line

    CERN Document Server

    Rahman, Muneeb-Ur

    2016-01-01

    Charge-changing transitions, commonly referred to as Gamow-Teller (GT) transitions, and electron capture/$\\beta^{+}$-decay strengths for pf-shell nuclei with $T_{z} = - 2$ at proton drip-line have been calculated using the proton-neutron quasi-particle random phase approximation (pn-QRPA) model. The total GT$_{+}$ strength values and electron capture/$\\beta^{+}$-decay rates are needed for the study of the late stages of the stellar evolution. The pn-QRPA theory is used for a microscopic calculation of GT strength distribution functions and associated stellar electron capture/$\\beta^{+}$-decay rates of proton-rich pf-shell nuclei with $T_{z} = - 2$ in the mass range 46 $\\leq$ A $\\leq$ 56 at proton drip-line. Standard quenching factor of 0.74, usually implemented in the shell model calculation, has been incorporated for the comparison with experimental data (wherever available). The calculated GT strength of the two proton-rich nuclei, $^{52}$Ni and $^{56}$Zn are compared with experimental data of corresponding...

  15. State-Selective and Total Single-Capture Cross Sections for Fast Collisions of Multiply Charged Ions with Helium Atoms

    Science.gov (United States)

    Mančev, Ivan; Milojević, Nenad; Belkić, Dževad

    2013-11-01

    The four-body boundary corrected first Born approximation (CB1-4B) is used to calculate the single electron capture cross sections for collisions between fully stripped ions (He2+, Be4+, B5+ and C6+) and helium target at intermediate and high impact energies. The main goal of this study is to assess the usefulness of the CB1-4B method at intermediate and high impact energies for these collisions. Detailed comparisons with the measurements are carried out and the obtained theoretical cross sections are in reasonable agreement with the available experimental data.

  16. Charge Control in Two Isostructural Anionic/Cationic Co(II) Coordination Frameworks for Enhanced Acetylene Capture.

    Science.gov (United States)

    Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen; Chen, Min; Du, Miao

    2016-10-10

    Two isostructural Co(II) -based metal-organic frameworks (MOFs) with the opposite framework charges have been constructed, which can be simply controlled by changing the tetrazolyl or triazolyl terminal in two bifunctional ligands. Notably, the cationic MOF 2 can adsorb much more C2 H2 than the anionic MOF 1 with an increase of 88 % for C2 H2 uptake at 298 K in spite of more active nitrogen sites in 1. Theoretical calculations indicate that both nitrate and triazolyl play vital roles in C2 H2 binding and the C2 H2 adsorption isotherm confirms that the enhanced C2 H2 uptake for 2 (225 and 163 cm(3) g(-1) at 273 and 298 K) is exceptionally high for MOF materials without open metal sites or uncoordinated polar atom groups on the frameworks. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Velocity effect in the l-distribution of the electron capture in collisions of highly charged Ar{sup 8+} ions with a Li(2s) target

    Energy Technology Data Exchange (ETDEWEB)

    Pascale, J. [CEA Centre d`Etudes de Saclay, 91 - Gif-sur-Yvette (France). Dept. de Recherche sur l`Etat Condense, les Atomes et les Molecules; Jacquet, E.; Boduch, P.; Chantepie, M.; Lecler, D. [Caen Univ., 14 (France). Lab. de Spectroscopie Atomique

    1994-12-31

    The effect of the velocity of the incident ions in the l-distributions of the electron capture in collisions of highly charged Ar{sup 8+} ions with a Li(2s) target is studied. These Ar{sup 8+} - Li(2s) collisions are experimentally studied by means of near UV and visible photon spectroscopy (200-600 nm) and theoretically analysed by means of three-body classical trajectory Monte-Carlo method. In addition to the effect of the projectile core, we show that the final nl-distributions are, for the most populated n = 8 and n = 9 states strongly energy dependent. (authors). 11 refs., 3 figs., 2 tabs.

  18. Relaxation Dynamics of Semiflexible Fractal Macromolecules

    Directory of Open Access Journals (Sweden)

    Jonas Mielke

    2016-07-01

    Full Text Available We study the dynamics of semiflexible hyperbranched macromolecules having only dendritic units and no linear spacers, while the structure of these macromolecules is modeled through T-fractals. We construct a full set of eigenmodes of the dynamical matrix, which couples the set of Langevin equations. Based on the ensuing relaxation spectra, we analyze the mechanical relaxation moduli. The fractal character of the macromolecules reveals itself in the storage and loss moduli in the intermediate region of frequencies through scaling, whereas at higher frequencies, we observe the locally-dendritic structure that is more pronounced for higher stiffness.

  19. Gas-phase doubly charged complexes of cyclic peptides with copper in +1, +2 and +3 formal oxidation states: formation, structures and electron capture dissociation.

    Science.gov (United States)

    Afonso, Carlos; Tabet, Jean-Claude; Giorgi, Gianluca; Tureček, František

    2012-02-01

    Copper complexes with a cyclic D-His-β-Ala-L-His-L-Lys and all-L-His-β-Ala-His-Lys peptides were generated by electrospray which were doubly charged ions that had different formal oxidation states of Cu(I), Cu(II) and Cu(III) and different protonation states of the peptide ligands. Electron capture dissociation showed no substantial differences between the D-His and L-His complexes. All complexes underwent peptide cross-ring cleavages upon electron capture. The modes of ring cleavage depended on the formal oxidation state of the Cu ion and peptide protonation. Density functional theory (DFT) calculations, using the B3LYP with an effective core potential at Cu and M06-2X functionals, identified several precursor ion structures in which the Cu ion was threecoordinated to pentacoordinated by the His and Lys side-chain groups and the peptide amide or enolimine groups. The electronic structure of the formally Cu(III) complexes pointed to an effective Cu(I) oxidation state with the other charge residing in the peptide ligand. The relative energies of isomeric complexes of the [Cu(c-HAHK + H)](2+) and [Cu(c-HAHK - H)](2+) type with closed electronic shells followed similar orders when treated by the B3LYP and M06-2X functionals. Large differences between relative energies calculated by these methods were obtained for open-shell complexes of the [Cu(c-HAHK)](2+) type. Charge reduction resulted in lowering the coordination numbers for some Cu complexes that depended on the singlet or triplet spin state being formed. For [Cu(c-HAHK - H)](2+) complexes, solution H/D exchange involved only the N-H protons, resulting in the exchange of up to seven protons, as established by ultra-high mass resolution measurements. Contrasting the experiments, DFT calculations found the lowest energy structures for the gas-phase ions that were deprotonated at the peptide C(α) positions.

  20. Cathepsin B degradable star-shaped peptidic macromolecules for delivery of 2-methoxyestradiol.

    Science.gov (United States)

    Shankar, Ravi; Samykutty, Abhilash; Riggin, Corinne; Kannan, Sneha; Wenzel, Ursula; Kolhatkar, Rohit

    2013-10-07

    2-Methoxyestradiol (2ME), a natural metabolite of estradiol, has antiproliferative and antiangiogenic activity. However, its clinical success is limited due to poor water solubility and poor pharmacokinetic parameters suggesting the need for a delivery vehicle. In this study we evaluated cathepsin B degradable star-shaped peptidic macromolecules (SPMs) that can potentially be used to create higher generation and high molecular weight peptidic polymer as delivery vehicle of 2ME. Two peptidic macromolecules having positively charged amine (ASPM) or negatively charged carboxyl surface groups (CSPM) were synthesized and evaluated for their degradation in the presence of cathepsin B and stability in the presence of neutral or acidic buffer and serum. Both ASPM and CSPM degraded rapidly in the presence of cathepsin B. Both were stable in neutral and acidic buffer whereas only CSPM exhibited substantial stability in the presence of serum. Both macromolecules were nontoxic toward breast cancer cells whereas 2ME-containing macromolecules exhibited antiproliferative activity in the micromolar range. Overall, results from the current study indicate that tetrapeptide GFLG can be used to create star-shaped macromolecules that are degraded in the presence of cathepsin B and have the potential to be developed as delivery vehicles of 2ME.

  1. Bond Tension in Tethered Macromolecules.

    Science.gov (United States)

    Sheiko, Sergei S; Panyukov, Sergey; Rubinstein, Michael

    2011-06-14

    The paper presents scaling analysis of mechanical tension generated in densely branched macromolecules tethered to a solid substrate with a short linker. Steric repulsion between branches results in z-fold amplification of tension in the linker, where z is the number of chain-like arms. At large z ~ 100-1000, the generated tension may exceed the strength of covalent bonds and sever the linker. Two types of molecular architectures were considered: polymer stars and polymer "bottlebrushes" tethered to a solid substrate. Depending on the grafting density, one distinguishes the so-called mushroom, loose grafting, and dense grafting regimes. In isolated (mushroom) and loosely tethered bottlebrushes, the linker tension is by a factor of [Formula: see text] smaller than the tension in a tethered star with the same number of arms z. In densely tethered stars, the effect of interchain distance (d) and number of arms (z) on the magnitude of linker tension is given by f ≅ f0z(3/2)(b/d) for stars in a solvent environment and f ≅ f0z(2) (b/d)(2) for dry stars, where b is the Kuhn length and f0 ≅ kBT/b is intrinsic bond tension. These relations are also valid for tethered bottlebrushes with long side chains. However, unlike molecular stars, bottlebrushes demonstrate variation of tension along the backbone f ≅ f0s z(1/2) / d as a function of distance s from the free end of the backbone. In dense brushes [Formula: see text] with z ≅ 1000, the backbone tension increases from f ≅ f0 = 1 pN at the free end of the backbone (s ≅ b) to its maximum f ≅ zf0 ≅ 1 nN at the linker to the substrate (s ≅ zb).

  2. Alignment of synaptic vesicle macromolecules with the macromolecules in active zone material that direct vesicle docking.

    Science.gov (United States)

    Harlow, Mark L; Szule, Joseph A; Xu, Jing; Jung, Jae Hoon; Marshall, Robert M; McMahan, Uel J

    2013-01-01

    Synaptic vesicles dock at active zones on the presynaptic plasma membrane of a neuron's axon terminals as a precondition for fusing with the membrane and releasing their neurotransmitter to mediate synaptic impulse transmission. Typically, docked vesicles are next to aggregates of plasma membrane-bound macromolecules called active zone material (AZM). Electron tomography on tissue sections from fixed and stained axon terminals of active and resting frog neuromuscular junctions has led to the conclusion that undocked vesicles are directed to and held at the docking sites by the successive formation of stable connections between vesicle membrane proteins and proteins in different classes of AZM macromolecules. Using the same nanometer scale 3D imaging technology on appropriately stained frog neuromuscular junctions, we found that ∼10% of a vesicle's luminal volume is occupied by a radial assembly of elongate macromolecules attached by narrow projections, nubs, to the vesicle membrane at ∼25 sites. The assembly's chiral, bilateral shape is nearly the same vesicle to vesicle, and nubs, at their sites of connection to the vesicle membrane, are linked to macromolecules that span the membrane. For docked vesicles, the orientation of the assembly's shape relative to the AZM and the presynaptic membrane is the same vesicle to vesicle, whereas for undocked vesicles it is not. The connection sites of most nubs on the membrane of docked vesicles are paired with the connection sites of the different classes of AZM macromolecules that regulate docking, and the membrane spanning macromolecules linked to these nubs are also attached to the AZM macromolecules. We conclude that the luminal assembly of macromolecules anchors in a particular arrangement vesicle membrane macromolecules, which contain the proteins that connect the vesicles to AZM macromolecules during docking. Undocked vesicles must move in a way that aligns this arrangement with the AZM macromolecules for docking

  3. Nonuniform elastic properties of macromolecules and effect of prestrain on their continuum nature.

    Science.gov (United States)

    Aggarwal, Ankush; May, Eric R; Brooks, Charles L; Klug, William S

    2016-01-01

    Many experimental and theoretical methods have been developed to calculate the coarse-grained continuum elastic properties of macromolecules. However, all of those methods assume uniform elastic properties. Following the continuum mechanics framework, we present a systematic way of calculating the nonuniform effective elastic properties from atomic thermal fluctuations obtained from molecular dynamics simulation at any coarse-grained scale using a potential of the mean-force approach. We present the results for a mutant of Sesbania mosaic virus capsid, where we calculate the elastic moduli at different scales and observe an apparent problem with the chosen reference configuration in some cases. We present a possible explanation using an elastic network model, where inducing random prestrain results in a similar behavior. This phenomenon provides a novel insight into the continuum nature of macromolecules and defines the limits on details that the elasticity theory can capture. Further investigation into prestrains could elucidate important aspects of conformational dynamics of macromolecules.

  4. Dimerization of emission centers in Eu-doped GaN red light-emitting diode: cooperative charge capturing using valence states coupling

    Science.gov (United States)

    Ishii, Masashi; Koizumi, Atsushi; Fujiwara, Yasufumi

    2017-01-01

    Despite the recent progress in red light-emitting diodes (LED) made of gallium nitride doped with europium (GaN:Eu) having sharp emission lines due to the 5D0  →  7F2 transition of Eu3+, unexpected subsidiary Eu emission centers radiate several satellite lines. We investigated these subsidiary emission centers by analyzing the harmonic contents through electronic means, and observed the originally forbidden even harmonics in a specific frequency region of 23-45 MHz. The even-harmonic generation was formulized with a binary response caused by the electronic coupling of emission centers in valence states, i.e. dimerization. The coupling was consistent with the results of the optical analyses of former studies. The binary response was experimentally quantified by using a parameter such as the phase difference between the responses of coupled centers, and a significant phase difference of 63° was observed at 36 MHz. The injection charges were cooperatively captured by the coupled emission centers and were branched into the constituent centers for recombination, resulting in undesired satellite emission lines.

  5. Molecular Imprinting of Macromolecules for Sensor Applications.

    Science.gov (United States)

    Saylan, Yeşeren; Yilmaz, Fatma; Özgür, Erdoğan; Derazshamshir, Ali; Yavuz, Handan; Denizli, Adil

    2017-04-19

    Molecular recognition has an important role in numerous living systems. One of the most important molecular recognition methods is molecular imprinting, which allows host compounds to recognize and detect several molecules rapidly, sensitively and selectively. Compared to natural systems, molecular imprinting methods have some important features such as low cost, robustness, high recognition ability and long term durability which allows molecularly imprinted polymers to be used in various biotechnological applications, such as chromatography, drug delivery, nanotechnology, and sensor technology. Sensors are important tools because of their ability to figure out a potentially large number of analytical difficulties in various areas with different macromolecular targets. Proteins, enzymes, nucleic acids, antibodies, viruses and cells are defined as macromolecules that have wide range of functions are very important. Thus, macromolecules detection has gained great attention in concerning the improvement in most of the studies. The applications of macromolecule imprinted sensors will have a spacious exploration according to the low cost, high specificity and stability. In this review, macromolecules for molecularly imprinted sensor applications are structured according to the definition of molecular imprinting methods, developments in macromolecular imprinting methods, macromolecular imprinted sensors, and conclusions and future perspectives. This chapter follows the latter strategies and focuses on the applications of macromolecular imprinted sensors. This allows discussion on how sensor strategy is brought to solve the macromolecules imprinting.

  6. Recent Patents in Pulmonary Delivery of Macromolecules.

    Science.gov (United States)

    Ray, Animikh; Mandal, Abhirup; Mitra, Ashim K

    2015-01-01

    Pulmonary delivery is a non-invasive form of delivery that holds tremendous therapeutic promise for topical and systemic administration of several macromolecules. Oral administration of macromolecules has several limitations such as low bioavailability, degradation of drug before reaching circulation and insufficient absorption across intestinal membrane. Administration of macromolecules such as proteins, peptides and nucleic acids via inhalation offers great potential due to the avoidance of first pass metabolism, higher surface area and rapid clinical response. However, delivery of reproducible, uniform and safe doses of inhaled particles remains a major challenge for clinical translation. Recent advances in the fields of biotechnology and particle engineering led to progress in novel pulmonary drug delivery systems. Moreover, significant developments in carriers and delivery devices prevent denaturation of macromolecules and control their release within the lungs. This article reviews the advances in pulmonary drug delivery systems by focusing on the recent patents in delivery of macromolecules. Furthermore, recent patents in gene delivery to the lungs have also been discussed. List of patents included in this review is comprehensive in terms of pulmonary delivery of therapeutics. It includes inventions related to proteins and peptides, DNA therapeutics, siRNA and other genetic materials with therapeutic applications. The diseases targeted by these therapeutic molecules are varied including but not limited to different forms of cancer, respiratory diseases etc.

  7. Macromolecular crowding: Macromolecules friend or foe.

    Science.gov (United States)

    Mittal, Shruti; Chowhan, Rimpy Kaur; Singh, Laishram Rajendrakumar

    2015-09-01

    Cellular interior is known to be densely crowded due to the presence of soluble and insoluble macromolecules, which altogether occupy ~40% of the total cellular volume. This results in altered biological properties of macromolecules. Macromolecular crowding is observed to have both positive and negative effects on protein folding, structure, stability and function. Significant data has been accumulated so far on both the aspects. However, most of the review articles so far have focused on the positive aspect of macromolecular crowding and not much attention has been paid on the deleterious aspect of crowding on macromolecules. In order to have a complete knowledge of the effect of macromolecular crowding on proteins and enzymes, it is important to look into both the aspects of crowding to determine its precise role under physiological conditions. To fill the gap in the understanding of the effect of macromolecular crowding on proteins and enzymes, this review article focuses on the deleterious influence of crowding on macromolecules. Macromolecular crowding is not always good but also has several deleterious effects on various macromolecular properties. Taken together, the properties of biological macromolecules in vivo appears to be finely regulated by the nature and level of the intracellular crowdedness in order to perform their biological functions appropriately. The information provided here gives an understanding of the role played by the nature and level of cellular crowdedness in intensifying and/or alleviating the burden of various proteopathies. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Surface characteristics and adhesion behavior of Escherichia coli O157:H7: role of extracellular macromolecules.

    Science.gov (United States)

    Kim, Hyunjung N; Hong, Yongsuk; Lee, Ilkeun; Bradford, Scott A; Walker, Sharon L

    2009-09-14

    Experiments were conducted using enterohemorrhagic Escherichia coli O157:H7 cells to investigate the influence of extracellular macromolecules on cell surface properties and adhesion behavior to quartz sand. Partial removal of the extracellular macromolecules on cells by a proteolytic enzyme (proteinase K) was confirmed using Fourier transform infrared spectroscopy analyses. The proteinase K treated cells exhibited more negative electrophoretic mobility (EPM) at an ionic strength (IS) macromolecules resulted in polymeric layers outside the cell surface that were less electrophoretically soft. The more negative mobility for the treated cells was likely due to the combined effects of a change in the distribution of functional groups and an increase in the charges per unit volume after enzyme treatment and not just removal of extracellular macromolecules. The proteolytic digestion of extracellular macromolecules led to a significant difference in the cell adhesion to quartz sand. The adhesion behavior for treated cells was consistent with DLVO theory and increased with IS due to less negativity in the EPM. In contrast, the adhesion behavior of untreated cells was much more complex and exhibited a maximum at IS = 1 mM. The treated cells exhibited less adhesion than the untreated cells when the IS or = 10 mM, a sudden decrease in the removal efficiency was observed only for the untreated cells even through EPM values were similar for both treated and untreated cells. This result suggested that an additional non-DLVO type interaction, electrosteric repulsion, occurred at higher IS (> or =10 mM in this study) for the untreated cells due to the presence of extracellular macromolecules that hindered cell adhesion to the quartz surface. This finding provides important insight into the role of macromolecule-induced E. coli O157:H7 interactions in aquatic environments.

  9. The Place of Macromolecules in Freshman Chemistry

    Science.gov (United States)

    Wunderlich, Bernhard

    1973-01-01

    Discusses the inclusion of knowledge on macromolecules into a freshman chemistry course which emphasizes topics in organic chemistry, polymer science and biochemistry, atoms, chemical thermodynamics, and inorganic chemistry. Indicates that the program is the only way to keep chemistry education up to date. (CC)

  10. Macromolecule diffusion and confinement in prokaryotic cells

    NARCIS (Netherlands)

    Mika, Jacek T.; Poolman, Bert

    We review recent observations on the mobility of macromolecules and their spatial organization in live bacterial cells. We outline the major fluorescence microscopy-based methods to determine the mobility and thus the diffusion coefficients (D) of molecules, which is not trivial in small cells. The

  11. Macromolecule diffusion and confinement in prokaryotic cells

    NARCIS (Netherlands)

    Mika, Jacek T.; Poolman, Bert

    2011-01-01

    We review recent observations on the mobility of macromolecules and their spatial organization in live bacterial cells. We outline the major fluorescence microscopy-based methods to determine the mobility and thus the diffusion coefficients (D) of molecules, which is not trivial in small cells. The

  12. Macromolecule diffusion and confinement in prokaryotic cells

    NARCIS (Netherlands)

    Mika, Jacek T.; Poolman, Bert

    2011-01-01

    We review recent observations on the mobility of macromolecules and their spatial organization in live bacterial cells. We outline the major fluorescence microscopy-based methods to determine the mobility and thus the diffusion coefficients (D) of molecules, which is not trivial in small cells. The

  13. Macromolecules Inquiry: Transformation of a Standard Biochemistry Lab

    Science.gov (United States)

    Unsworth, Elizabeth

    2014-01-01

    Identification of macromolecules in food is a standard introductory high school biology lab. The intent of this article is to describe the conversion of this standard cookbook lab into an inquiry investigation. Instead of verifying the macromolecules found in food, students use their knowledge of the macromolecules in food to determine the…

  14. Capturing Thoughts, Capturing Minds?

    DEFF Research Database (Denmark)

    Nielsen, Janni

    2004-01-01

    Think Aloud is cost effective, promises access to the user's mind and is the applied usability technique. But 'keep talking' is difficult, besides, the multimodal interface is visual not verbal. Eye-tracking seems to get around the verbalisation problem. It captures the visual focus of attention...

  15. Synthesis and Characterization of a Chondroitin Sulfate Based Hybrid Bio/Synthetic Biomimetic Aggrecan Macromolecule

    Science.gov (United States)

    Sarkar, Sumona

    Lower back pain resulting from intervertebral disc degeneration is one of the leading musculoskeletal disorders confronting our health system. In order to mechanically stabilize the disc early in the degenerative cascade and prevent the need for spinal fusion surgeries, we have proposed the development of a hybrid-bio/synthetic biomimetic proteoglycan macromolecule for injection into the disc in the early stages of degeneration. The goal of this thesis was to incorporate natural chondroitin sulfate (CS) chains into bottle brush polymer synthesis strategies for the fabrication of CS-macromolecules which mimic the proteoglycan structure and function while resisting enzymatic degradation. Both the "grafting-to" and "grafting-through" techniques of bottle brush synthesis were explored. CS was immobilized via a terminal primary amine onto a model polymeric backbone (polyacrylic acid) for investigation of the "grafting-to" strategy and an epoxy-amine step-growth polymerization technique was utilized for the "grafting-through" synthesis of CS-macromolecules with polyethylene glycol backbone segments. Incorporation of a synthetic polymeric backbone at the terminal amine of CS was confirmed via biochemical assays, 1H-NMR and FTIR spectroscopy, and CS-macromolecule size was demonstrated to be higher than that of natural CS via gel permeation chromatography, transmission electron microscopy and viscosity measurements. Further analysis of CS-macromolecule functionality indicated maintenance of natural CS properties such as high fixed charge density, high osmotic potential and low cytotoxicity with nucleus pulposus cells. These studies are the first attempt at the incorporation of natural CS into biomimetic bottle brush structures. CS-macromolecules synthesized via the methods developed in these studies may be utilized in the treatment and prevention of debilitating back pain as well as act as mimetics for other proteoglycans implicated in cartilage, heart valve, and nervous

  16. Persistence Length of DNA Macromolecule with Kinks

    CERN Document Server

    Simonov, Kyrylo

    2014-01-01

    The study of configurational parameters of deformed DNA is a relevant problem in research of such important biological process as double helix compactization in cell. The deformations accompanied with local disruptions of the regular macromolecule structure cause significant bending of the double helix, or kinks. In this paper an approach for Kratky-Porod model to calculate persistence length of DNA macromolecule with kinks is developed. The presented approach considers kinks of arbitrary configuration, including two basic types of kinks, type 1 - sharp kink caused by unstacking a single base pair step, and type 2 - intrinsic-induced kink that involves several base pairs. Within developed approach analytical expressions for persistence length, coil size and gyration radius of kinky double helix were obtained.

  17. Sperm macromolecules associated with bull fertility.

    Science.gov (United States)

    Kaya, Abdullah; Memili, Erdoğan

    2016-06-01

    Bull fertility, ability of the sperm to fertilize and activate the egg that sustain embryo development, is vitally important for effective and efficient production of cattle. Fertility is a complex trait with low heritability. Despite recent advances in genomic selection and possibility of enormous paternal benefits to profitable cattle production, there exist no reliable tests for evaluating semen quality and predicting bull fertility. This review focuses on sperm macromolecules such as transcripts, proteins and the epigenome, i.e., the functional genome that are associated with bull fertility. Generating new information in these systems is important beyond agriculture because such progress advances the fundamental science of the mammalian male gamete while at the same time introduces biotechnology into livestock production. Sperm macromolecules and epigenome markers associated with bull fertility can be used alone or in combination with the current SNP microarrays to determine sperm quality and to indicate bull fertility.

  18. An Overview of Biological Macromolecule Crystallization

    Science.gov (United States)

    Krauss, Irene Russo; Merlino, Antonello; Vergara, Alessandro; Sica, Filomena

    2013-01-01

    The elucidation of the three dimensional structure of biological macromolecules has provided an important contribution to our current understanding of many basic mechanisms involved in life processes. This enormous impact largely results from the ability of X-ray crystallography to provide accurate structural details at atomic resolution that are a prerequisite for a deeper insight on the way in which bio-macromolecules interact with each other to build up supramolecular nano-machines capable of performing specialized biological functions. With the advent of high-energy synchrotron sources and the development of sophisticated software to solve X-ray and neutron crystal structures of large molecules, the crystallization step has become even more the bottleneck of a successful structure determination. This review introduces the general aspects of protein crystallization, summarizes conventional and innovative crystallization methods and focuses on the new strategies utilized to improve the success rate of experiments and increase crystal diffraction quality. PMID:23727935

  19. The spectral properties of DNA and RNA macromolecules at low temperatures: fundamental and applied aspects.

    Science.gov (United States)

    Yashchuk, Valeriy M; Kudrya, Vladislav Yu

    2017-01-18

    This paper summarizes the results of studies of the spectral properties-optical absorption, fluorescence and phosphorescence-of DNA and RNA macromolecules and synthetic poly-, oligo- and mono-nucleotides, which have been carried out in our laboratory. The system of first excited singlet and triplet energy levels for DNA and RNA is evaluated using low-temperature (4.2 K-77 K) luminescent measurements. The traps of the singlet and triplet electronic excitations in these compounds are identified. An important self-protection mechanism against photo-damage of DNA and RNA by UV photons or penetrative radiation based on the capture of triplet electronic-energy excitations by the most photostable centers-in DNA, the complex formed by neighboring adenosine (A) and thymidine (T) links; in RNA, the adenosine links-is described. It is confirmed that despite similarities in the chemical and partly energy structures DNA is more stable than RNA. The spectral manifestation of the telomeres (the important functional system) in DNA macromolecules is examined. The results obtained on telomere fragments provide the possibility of finding the configuration peculiarities of the triplet excitations traps in DNA macromolecules. The resulting spreading length of the migrating singlet (l s) and triplet (l t) excitations for DNA and RNA macromolecules are evaluated.

  20. The spectral properties of DNA and RNA macromolecules at low temperatures: fundamental and applied aspects

    Science.gov (United States)

    Yashchuk, Valeriy M.; Kudrya, Vladislav Yu

    2017-03-01

    This paper summarizes the results of studies of the spectral properties—optical absorption, fluorescence and phosphorescence—of DNA and RNA macromolecules and synthetic poly-, oligo- and mono-nucleotides, which have been carried out in our laboratory. The system of first excited singlet and triplet energy levels for DNA and RNA is evaluated using low-temperature (4.2 K-77 K) luminescent measurements. The traps of the singlet and triplet electronic excitations in these compounds are identified. An important self-protection mechanism against photo-damage of DNA and RNA by UV photons or penetrative radiation based on the capture of triplet electronic-energy excitations by the most photostable centers—in DNA, the complex formed by neighboring adenosine (A) and thymidine (T) links; in RNA, the adenosine links—is described. It is confirmed that despite similarities in the chemical and partly energy structures DNA is more stable than RNA. The spectral manifestation of the telomeres (the important functional system) in DNA macromolecules is examined. The results obtained on telomere fragments provide the possibility of finding the configuration peculiarities of the triplet excitations traps in DNA macromolecules. The resulting spreading length of the migrating singlet (l s) and triplet (l t) excitations for DNA and RNA macromolecules are evaluated.

  1. Identifiability, reducibility, and adaptability in allosteric macromolecules.

    Science.gov (United States)

    Bohner, Gergő; Venkataraman, Gaurav

    2017-05-01

    The ability of macromolecules to transduce stimulus information at one site into conformational changes at a distant site, termed "allostery," is vital for cellular signaling. Here, we propose a link between the sensitivity of allosteric macromolecules to their underlying biophysical parameters, the interrelationships between these parameters, and macromolecular adaptability. We demonstrate that the parameters of a canonical model of the mSlo large-conductance Ca(2+)-activated K(+) (BK) ion channel are non-identifiable with respect to the equilibrium open probability-voltage relationship, a common functional assay. We construct a reduced model with emergent parameters that are identifiable and expressed as combinations of the original mechanistic parameters. These emergent parameters indicate which coordinated changes in mechanistic parameters can leave assay output unchanged. We predict that these coordinated changes are used by allosteric macromolecules to adapt, and we demonstrate how this prediction can be tested experimentally. We show that these predicted parameter compensations are used in the first reported allosteric phenomena: the Bohr effect, by which hemoglobin adapts to varying pH. © 2017 Bohner and Venkataraman.

  2. Shape transformation of lipid vesicles induced by diffusing macromolecules.

    Science.gov (United States)

    Góźdź, W T

    2011-01-14

    The attachment of macromolecules to the surface of a lipid vesicle may cause its deformations such as budding or creation of cylindrical protrusions. Diffusion of the macromolecules in the membranes may cause its shape transformations. The process of shrinking the protrusions due to diffusion of the macromolecules is investigated. It is assumed that macromolecules modify locally the spontaneous curvature and bending rigidity of the lipid membrane. Both spontaneous curvature and bending rigidities depend on the concentration of membrane components. It has been shown that cylindrical protrusions are created when the macromolecules which induce large spontaneous curvature are accumulated at a piece of the vesicle surface. It has been observed that here the elastic constants influence very little the evolution of the vesicle shape caused by diffusing macromolecules and the most important is the value the spontaneous curvature imposed by the macromolecules.

  3. Flexibility and Stability of Metal Coordination Macromolecules.

    Science.gov (United States)

    Jiang, Heyan; Geng, Diya; Liu, Dapeng; Lanigan, Nicholas; Wang, Xiaosong

    2017-06-16

    The effect of chain structure on flexibility and stability of macromolecules containing weak P-Fe metal coordination bonds is studied. Migration insertion polymerization (MIP) of FpCX Fp (1) and PR2 CY PR2 (2) (Fp: CpFe(CO)2 ; CX and CY : alkyl spacers; P: phosphine; R: phenyl or isopropyl) generates P(1/2), in which the P-Fe and Fe-P bonds with opposite bonding direction are alternatively arranged in the backbone. On the other hand, P(FpCX P) synthesized from AB-type monomers (FpCX P) has P-Fe bonds arranged in the same direction. P(1/2) is more rigid and stable than P(FpCX P), which is attributed to the chain conformation resulting from the P-Fe bonding direction. In addition, the longer spacers render P(1/2) relatively flexible; the phenyl substituents, as compared with the isopropyl groups, improves the rigidity, thermal, and solution stability of P(1/2). It is therefore possible to incorporate weak metal coordination bonds into macromolecules with improved stability and adjustable flexibility for material processing. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Precision evaluation of the Ga-71(nu(e),e(-)) solar neutrino capture rate from the (He-3,t) charge-exchange reaction

    NARCIS (Netherlands)

    Frekers, D.; Adachi, T.; Akimune, H.; Alanssari, M.; Brown, B. A.; Cleveland, B. T.; Ejiri, H.; Fujita, H.; Fujita, Y.; Fujiwara, M.; Gavrin, V. N.; Harakeh, M. N.; Hatanaka, K.; Holl, M.; Iwamoto, C.; Lennarz, A.; Okamoto, A.; Okamura, H.; Suzuki, T.; Tamii, A.

    2015-01-01

    A precision measurement of the Ga-71(He-3,t)Ge-71 charge-exchange reaction was performed. By using a rather complete set of theoretical form factors to describe the cross-section angular distributions over a large angular range, the Gamow-Teller strength distribution up to the effective neutron-sepa

  5. Controlled doping by self-assembled dendrimer-like macromolecules.

    Science.gov (United States)

    Wu, Haigang; Guan, Bin; Sun, Yingri; Zhu, Yiping; Dan, Yaping

    2017-02-01

    Doping via self-assembled macromolecules might offer a solution for developing single atom electronics by precisely placing individual dopants at arbitrary location to meet the requirement for circuit design. Here we synthesize dendrimer-like polyglycerol macromolecules with each carrying one phosphorus atom in the core. The macromolecules are immobilized by the coupling reagent onto silicon surfaces that are pre-modified with a monolayer of undecylenic acid. Nuclear magnetic resonance (NMR) and X-ray photoelectron spectroscopy (XPS) are employed to characterize the synthesized macromolecules and the modified silicon surfaces, respectively. After rapid thermal annealing, the phosphorus atoms carried by the macromolecules diffuse into the silicon substrate, forming dopants at a concentration of 10(17) cm(-3). Low-temperature Hall effect measurements reveal that the ionization process is rather complicated. Unlike the widely reported simple ionization of phosphorus dopants, nitrogen and carbon are also involved in the electronic activities in the monolayer doped silicon.

  6. Controlled doping by self-assembled dendrimer-like macromolecules

    Science.gov (United States)

    Wu, Haigang; Guan, Bin; Sun, Yingri; Zhu, Yiping; Dan, Yaping

    2017-02-01

    Doping via self-assembled macromolecules might offer a solution for developing single atom electronics by precisely placing individual dopants at arbitrary location to meet the requirement for circuit design. Here we synthesize dendrimer-like polyglycerol macromolecules with each carrying one phosphorus atom in the core. The macromolecules are immobilized by the coupling reagent onto silicon surfaces that are pre-modified with a monolayer of undecylenic acid. Nuclear magnetic resonance (NMR) and X-ray photoelectron spectroscopy (XPS) are employed to characterize the synthesized macromolecules and the modified silicon surfaces, respectively. After rapid thermal annealing, the phosphorus atoms carried by the macromolecules diffuse into the silicon substrate, forming dopants at a concentration of 1017 cm‑3. Low-temperature Hall effect measurements reveal that the ionization process is rather complicated. Unlike the widely reported simple ionization of phosphorus dopants, nitrogen and carbon are also involved in the electronic activities in the monolayer doped silicon.

  7. Synthetic mimetics of the endogenous gastrointestinal nanomineral: Silent constructs that trap macromolecules for intracellular delivery.

    Science.gov (United States)

    Pele, Laetitia C; Haas, Carolin T; Hewitt, Rachel E; Robertson, Jack; Skepper, Jeremy; Brown, Andy; Hernandez-Garrido, Juan Carlos; Midgley, Paul A; Faria, Nuno; Chappell, Helen; Powell, Jonathan J

    2017-02-01

    Amorphous magnesium-substituted calcium phosphate (AMCP) nanoparticles (75-150nm) form constitutively in large numbers in the mammalian gut. Collective evidence indicates that they trap and deliver luminal macromolecules to mucosal antigen presenting cells (APCs) and facilitate gut immune homeostasis. Here, we report on a synthetic mimetic of the endogenous AMCP and show that it has marked capacity to trap macromolecules during formation. Macromolecular capture into AMCP involved incorporation as shown by STEM tomography of the synthetic AMCP particle with 5nm ultra-fine iron (III) oxohydroxide. In vitro, organic cargo-loaded synthetic AMCP was taken up by APCs and tracked to lysosomal compartments. The AMCP itself did not regulate any gene, or modify any gene regulation by its cargo, based upon whole genome transcriptomic analyses. We conclude that synthetic AMCP can efficiently trap macromolecules and deliver them to APCs in a silent fashion, and may thus represent a new platform for antigen delivery. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

  8. Cluster of red blood cells in microcapillary flow: hydrodynamic versus macromolecule induced interaction

    CERN Document Server

    Clavería, Viviana; Thiébaud, Marine; Abkarian, Manouk; Coupier, Gwennou; Misbah, Chaouqi; John, Thomas; Wagner, Christian

    2016-01-01

    We present experiments on RBCs that flow through microcapillaries under physiological conditions. We show that the RBC clusters form as a subtle imbrication between hydrodynamics interaction and adhesion forces because of plasma proteins. Clusters form along the capillaries and macromolecule-induced adhesion contribute to their stability. However, at high yet physiological flow velocities, shear stresses overcome part of the adhesion forces, and cluster stabilization due to hydrodynamics becomes the only predominant mechanism. For the case of pure hydrodynamic interaction, cell-to-cell distances have a pronounced bimodal distribution. Our 2D-numerical simulations on vesicles captures the transition between adhesive and non-adhesive clusters at different flow velocities.

  9. Core-electron effect in state-selective electron capture collisions of highly charged ions with alkali-metal atom targets

    Energy Technology Data Exchange (ETDEWEB)

    Pascale, J. [CEA Centre d`Etudes de Saclay, 91 - Gif-sur-Yvette (France). Dept. de Recherche sur l`Etat Condense, les Atomes et les Molecules; Jacquet, E. [Caen Univ., 14 (France). Lab. de Spectroscopie Atomique

    1994-12-31

    We study both experimentally and theoretically the influence of the projectile core electrons on the single electron capture process, in medium-energy collisions of partially stripped ions with ground-state alkali-metal atom targets. The effect is clearly demonstrated in the final nl-distributions of the capture electron in Ar{sup 8+} - and Kr{sup 8+} - Li(2s) collisions, by comparisons of experimental data with three-body classical trajectory Monte-Carlo (CTMC) calculations performed for these ions, and also for Ne{sup 8+} and O{sup 8+}. The effect manifests itself by a significant population of low l-values which does not show up in the case of fully or nearly fully stripped ions; it is strongly energy dependent and vanishes at high energies. The CTMC calculations show also a clear influence of the core electrons on the m-distribution of a given final n-level. (authors). 15 refs., 4 figs., 2 tabs.

  10. Distribution volumes of macromolecules in human ovarian and endometrial cancers--effects of extracellular matrix structure.

    Science.gov (United States)

    Haslene-Hox, Hanne; Oveland, Eystein; Woie, Kathrine; Salvesen, Helga B; Tenstad, Olav; Wiig, Helge

    2015-01-01

    Elements of the extracellular matrix (ECM), notably collagen and glucosaminoglycans, will restrict part of the space available for soluble macromolecules simply because the molecules cannot occupy the same space. This phenomenon may influence macromolecular drug uptake. To study the influence of steric and charge effects of the ECM on the distribution volumes of macromolecules in human healthy and malignant gynecologic tissues we used as probes 15 abundant plasma proteins quantified by high-resolution mass spectrometry. The available distribution volume (VA) of albumin was increased in ovarian carcinoma compared with healthy ovarian tissue. Furthermore, VA of plasma proteins between 40 and 190 kDa decreased with size for endometrial carcinoma and healthy ovarian tissue, but was independent of molecular weight for the ovarian carcinomas. An effect of charge on distribution volume was only found in healthy ovaries, which had lower hydration and high collagen content, indicating that a condensed interstitium increases the influence of negative charges. A number of earlier suggested biomarker candidates were detected in increased amounts in malignant tissue, e.g., stathmin and spindlin-1, showing that interstitial fluid, even when unfractionated, can be a valuable source for tissue-specific proteins. We demonstrate that the distribution of abundant plasma proteins in the interstitium can be elucidated by mass spectrometry methods and depends markedly on hydration and ECM structure. Our data can be used in modeling of drug uptake, and give indications on ECM components to be targeted to increase the uptake of macromolecular substances.

  11. Key factors regulating the mass delivery of macromolecules to model cell membranes

    DEFF Research Database (Denmark)

    Campbell, Richard A.; Watkins, Erik B.; Jagalski, Vivien

    2014-01-01

    We show that both gravity and electrostatics are key factors regulating interactions between model cell membranes and self-assembled liquid crystalline aggregates of dendrimers and phospholipids. The system is a proxy for the trafficking of reservoirs of therapeutic drugs to cell membranes for slow...... diffusion and continuous delivery. Neutron reflectometry measurements were carried out on supported lipid bilayers of varying charge and on hydrophilic silica surfaces. Translocation of the macromolecule across the membrane and adsorption of the lamellar aggregates occur only when the membrane (1...... of the aggregates to activate endocytosis pathways on specific cell types is discussed in the context of targeted drug delivery applications....

  12. Capture reactions

    NARCIS (Netherlands)

    Endt, P.M.

    1956-01-01

    Capture reactions will be considered here from the viewpoint of the nuclear spectroscopist. Especially important to him are the capture of neutrons, protons, and alpha particles, which may proceed through narrow resonances, offering a well defined initial state for the subsequent deexcitation proces

  13. Discovery of Reversible Crystallization of Macromolecules

    Science.gov (United States)

    Wunderlich, Bernhard

    2004-03-01

    For 10 years "reversing melting" was observed with temperature-modulated differential scanning calorimetry, TMDSC. This reversing melting is the first harmonic response beyond that caused by the heat capacity of a metastable, semicrystalline macromolecular sample. Before one can identify "reversible melting," the calorimeter response must be corrected for loss of linearity, stationarity, frequency, amplitude, and instrument lag, or proper experiment-design must avoid these problems. Using quasi-isothermal TMDSC, the following observations were made [Prog. Polymer Sci. 28 (2003) 383-450]: Equilibrium crystals of polymers may melt at the equilibrium melting-temperature, but crystallization needs supercooling, even in the presence of crystal nuclei, making the overall process irreversible. Metastable, folded-chain crystals of the same molecules also melt irreversibly, however, may have some specific reversibility. Flexible, linear molecules of up to 10 nm length may melt fully reversibly. Macromolecules of less flexibility may lose the ability to melt reversibly. Decoupling of molecular segments, molecular nucleation, segregation of molar masses, rigid amorphous fractions, effects of equilibrium point defects in crystals and glasses, and transition-less ordering and solidification will be discussed in some detail. Supported by NSF, Polymers Program, DMR-0312233, and the Div. of Mat. Sci., BES, of DOE at ORNL, managed by UT-Battelle, LLC, for the U.S. Department of Energy, DOE-AC05-00OR22725.

  14. Second Harmonic Light Scattering from Macromolecules: Collagen.

    Science.gov (United States)

    Roth, Shmuel

    In this work we present the theory and practice of optical second harmonic generation (SHG) as applied to rat-tail tendon collagen. Our work is the first quantitative application of SHG to biological systems. The angular dependence of SHG is found to display a sharp, intense, forward peak superimposed on a broad background. The sharp peak is shown to imply long-range polar order, while the broad background corresponds to that predicted for the random "up"/"down" array of collagen fibrils seen with the electron microscope. The dependence of fibril diameter distribution on age and state of hydration is measured. Our experiments also reveal information concerning the structure of the fibrils and their arrangement in the tendon. The degree of polar order, the coherence length of tendon for harmonic generation and the absolute magnitude of the nonlinear susceptibility of the collagen fibril are also determined. The biological significance of these findings and the many advantages of SHG for the structural study of biological macromolecules and tissues are discussed.

  15. Digital X-ray camera for quality evaluation three-dimensional topographic reconstruction of single crystals of biological macromolecules

    Science.gov (United States)

    Borgstahl, Gloria (Inventor); Lovelace, Jeff (Inventor); Snell, Edward Holmes (Inventor); Bellamy, Henry (Inventor)

    2008-01-01

    The present invention provides a digital topography imaging system for determining the crystalline structure of a biological macromolecule, wherein the system employs a charge coupled device (CCD) camera with antiblooming circuitry to directly convert x-ray signals to electrical signals without the use of phosphor and measures reflection profiles from the x-ray emitting source after x-rays are passed through a sample. Methods for using said system are also provided.

  16. Sandwich complex-containing macromolecules: property tunability through versatile synthesis.

    Science.gov (United States)

    Abd-El-Aziz, Alaa S; Agatemor, Christian; Etkin, Nola

    2014-03-01

    Sandwich complexes feature unique properties as the physical and electronic properties of a hydrocarbon ligand or its derivative are integrated into the physical, electronic, magnetic, and optical properties of a metal. Incorporation of these complexes into macromolecules results in intriguing physical, electrical, and optical properties that were hitherto unknown in organic-based macromolecules. These properties are tunable through well-designed synthetic strategies. This review surveys many of the synthetic approaches that have resulted in tuning the properties of sandwich complex-containing macromolecules. While the past two decades have seen an ever-growing number of research publications in this field, gaps remain to be filled. Thus, we expect this review to stimulate research interest towards bridging these gaps, which include the insolubility of some of these macromolecules as well as expanding the scope of the sandwich complexes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Ligand Binding to Macromolecules: Allosteric and Sequential Models of Cooperativity.

    Science.gov (United States)

    Hess, V. L.; Szabo, Attila

    1979-01-01

    A simple model is described for the binding of ligands to macromolecules. The model is applied to the cooperative binding by hemoglobin and aspartate transcarbamylase. The sequential and allosteric models of cooperative binding are considered. (BB)

  18. Organized monolayers of biological macromolecules on Au(111) surfaces

    DEFF Research Database (Denmark)

    Zhang, Jingdong; Chi, Qijin; Nielsen, Jens Ulrik

    2002-01-01

    Single-crystal electrochemistry and scanning tunneling microscopy directly in aqueous electrolyte solution (in situ STM) are established in physical electrochemistry but new in studies of adsorption and interfacial electrochemistry of biological macromolecules. These high-resolution techniques have...

  19. Effect of anionic macromolecules on intestinal permeability of furosemide.

    Science.gov (United States)

    Valizadeh, Hadi; Fahimfar, Hadi; Ghanbarzadeh, Saeed; Islambulchilar, Ziba; Zakeri-Milani, Parvin

    2015-02-01

    Furosemide is an anionic molecule and has very low absorption in gastro intestinal tract. The aim of this study was to investigate the effect of anionic macromolecules on the intestinal permeability of Furosemide. The intestinal permeability of Furosemide was determined using single-pass intestinal perfusion technique in rats. Briefly a jejunal segment of ∼10 cm was isolated and cannulated in both ends for inlet and outlet solution. The perfusate was collected every 10 min and samples were analyzed using the RP-HPLC method. Test samples containing furosemide and two anionic macromolecules, sodium carboxy methyl cellulose and sodium alginate, at different concentrations were used. The obtained data showed that existence of Sodium carboxy methyl cellulose significantly increased the Peff values in all three investigated concentrations (p macromolecules at specific concentrations could alter the permeability of anionic drugs across the biological membranes. Donnan phenomenon and chelating property of macromolecules could be attributed to the observed effect.

  20. A general method to study equilibrium partitioning of macromolecules

    DEFF Research Database (Denmark)

    The distribution of macromolecules between a confined microscopic solution and a macroscopic bulk solution plays an important role in understanding separation processes such as Size Exclusion Chromatography (SEC). In this study, we have developed an efficient computational algorithm for obtaining...

  1. Electrically assisted delivery of macromolecules into the corneal epithelium

    OpenAIRE

    HAO, JINSONG; Li, S. Kevin; Liu, Chia-Yang; Kao, Winston W. Y.

    2009-01-01

    Electrically assisted delivery is noninvasive and has been investigated in a number of ocular drug delivery studies. The objectives of this study were to examine the feasibility of electrically assisted delivery of macromolecules such as small interfering RNA (siRNA) into the corneal epithelium, to optimize the iontophoresis and electroporation methods, and to study the mechanisms of corneal iontophoresis for macromolecules. Anodal and cathodal iontophoresis, electroporation and their combina...

  2. Submillimeter wave spectroscopy of biological macromolecules

    Science.gov (United States)

    Globus, Tatiana

    2005-03-01

    The recently emergence of submillimeter-wave or terahertz (THz) spectroscopy of biological molecules has demonstrated the capability to detect low-frequency internal molecular vibrations involving the weakest hydrogen bonds of the DNA base pairs and/or non-bonded interactions. These multiple bonds, although having only ˜ 5% of the strength of covalent bonds, stabilize the structure of bio-polymers, by holding the two strands of the DNA double helix together, or polypeptides together in different secondary structure conformations. There will be a review of THz-frequency transmission (absorption) results for biological materials obtained from Fourier Transform Infrared (FTIR) spectroscopy during the last few years^1,2. Multiple resonances, due to low frequency vibrational modes within biological macromolecules, have been unambiguously demonstrated in qualitative agreement with theoretical prediction, thereby confirming the fundamental physical nature of observed resonance features. The discovery of resonance character of interaction between THz radiation and biological materials opens many possible applications for THz spectroscopy technique in biological sensing and biomedicine using multiple resonances as distinctive spectral fingerprints. However, many issues still require investigation. Kinetics of interactions with radiation at THz has not been studied and vibrational lifetimes have not been measured directly as a function of frequency. The strength of resonant modes of bio-molecules in aqueous environment and strong dependence of spectra on molecular orientation need explanation. Vibrational modes have not been assigned to specific motions within molecules. THz spectroscopy of bio-polymers makes it only in first steps. 1. T. Globus, D. Woolard, M. Bykhovskaia, B. Gelmont, L. Werbos, A. Samuels. International Journal of High Speed Electronics and Systems (IJHSES), 13, No. 4, 903-936 (2003). 2. T. Globus, T. Khromova, D. Woolard and B. Gelmont. Proceedings of

  3. Electrically assisted delivery of macromolecules into the corneal epithelium.

    Science.gov (United States)

    Hao, Jinsong; Li, S Kevin; Liu, Chia-Yang; Kao, Winston W Y

    2009-12-01

    Electrically assisted delivery is noninvasive and has been investigated in a number of ocular drug delivery studies. The objectives of this study were to examine the feasibility of electrically assisted delivery of macromolecules such as small interfering RNA (siRNA) into the corneal epithelium, to optimize the iontophoresis and electroporation methods, and to study the mechanisms of corneal iontophoresis for macromolecules. Anodal and cathodal iontophoresis, electroporation and their combinations were the methods examined with mice in vivo. Cyanine 3 (Cy3)-labeled glyceraldehyde-3-phosphate dehydrogenase (GAPDH) siRNA and fluorescein isothiocyanate (FITC)-labeled dextran of different molecular weights (4-70 kDa) were the macromolecules studied. Microscopy and histology after cryostat sectioning were used to analyze and compare the delivery of the macromolecules to the cornea. Iontophoresis was effective in delivering siRNA and dextran up to 70 kDa into the cornea. The electroporation method studied was less effective than that of iontophoresis. Although both iontophoresis and electroporation alone can deliver the macromolecules into the cornea, these methods alone were not as effective as the combination of iontophoresis and electroporation (iontophoresis followed by electroporation). The significant enhancement of dextran delivery in anodal iontophoresis suggests that electroosmosis can be a significant flux-enhancing mechanism during corneal iontophoresis. These results illustrate the feasibility of electrically assisted delivery of macromolecules such as siRNA into the cornea.

  4. Behavior of macromolecules in adsorbed layers

    Institute of Scientific and Technical Information of China (English)

    牟伯中[1; 姚恒申[2; 罗平亚[3

    2000-01-01

    A model for describing the behavior ot macromoiecuies in aosoroea layers is developed by introducing a concept of distribution density of layer thickness U based on stochastic process and probabilistic statistics. The molecular behavior of layers adsorbed on clay particle surfaces is discussed; the random distribution and its statistics of the layer thickness are given by incorporating experimental results with an ionic polyelectrolyte with the molecular weight of 1.08×106and chain charged density of 0.254.

  5. Supramolecular Assembly of Comb-like Macromolecules Induced by Chemical Reactions that Modulate the Macromolecular Interactions In Situ.

    Science.gov (United States)

    Xia, Hongwei; Fu, Hailin; Zhang, Yanfeng; Shih, Kuo-Chih; Ren, Yuan; Anuganti, Murali; Nieh, Mu-Ping; Cheng, Jianjun; Lin, Yao

    2017-08-16

    Supramolecular polymerization or assembly of proteins or large macromolecular units by a homogeneous nucleation mechanism can be quite slow and require specific solution conditions. In nature, protein assembly is often regulated by molecules that modulate the electrostatic interactions of the protein subunits for various association strengths. The key to this regulation is the coupling of the assembly process with a reversible or irreversible chemical reaction that occurs within the constituent subunits. However, realizing this complex process by the rational design of synthetic molecules or macromolecules remains a challenge. Herein, we use a synthetic polypeptide-grafted comb macromolecule to demonstrate how the in situ modulation of interactions between the charged macromolecules affects their resulting supramolecular structures. The kinetics of structural formation was studied and can be described by a generalized model of nucleated polymerization containing secondary pathways. Basic thermodynamic analysis indicated the delicate role of the electrostatic interactions between the charged subunits in the reaction-induced assembly process. This approach may be applicable for assembling a variety of ionic soft matters that are amenable to chemical reactions in situ.

  6. Tailoring liquid crystalline lipid nanomaterials for controlled release of macromolecules.

    Science.gov (United States)

    Bisset, Nicole B; Boyd, Ben J; Dong, Yao-Da

    2015-11-10

    Lipid-based liquid crystalline materials are being developed as drug delivery systems. However, the use of these materials for delivery of large macromolecules is currently hindered by the small size of the water channels in these structures limiting control over diffusion behaviour. The addition of the hydration-modulating agent, sucrose stearate, to phytantriol cubic phase under excess water conditions incrementally increased the size of these water channels. Inclusion of oleic acid enabled further control of swelling and de-swelling of the matrix via a pH triggerable system where at low pH the hexagonal phase is present and at higher pH the cubic phase is present. Fine control over the release of various sized model macromolecules is demonstrated, indicating future application to controlled loading and release of large macromolecules such as antibodies. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. A general method to study equilibrium partitioning of macromolecules

    DEFF Research Database (Denmark)

    The distribution of macromolecules between a confined microscopic solution and a macroscopic bulk solution plays an important role in understanding separation processes such as Size Exclusion Chromatography (SEC). In this study, we have developed an efficient computational algorithm for obtaining...... the equilibrium partition coefficient (pore-to-bulk concentration ratio) and the concentration profile inside the confining geometry. The algorithm involves two steps. First, certain characteristic structure properties of the studied macromolecule are obtained by sampling its configuration space, and second those...... data are used for the computation of partition coefficient and concentration profile for any confinement size. Our algorithm is versatile to the model and type of the macromolecule studied, and is capable of handling three types of confining geometries (slit, rectangular channel and rectangular box...

  8. Cryo-electron microscopy for structural analysis of dynamic biological macromolecules.

    Science.gov (United States)

    Murata, Kazuyoshi; Wolf, Matthias

    2017-07-27

    Since the introduction of what became today's standard for cryo-embedding of biological macromolecules at native conditions more than 30years ago, techniques and equipment have been drastically improved and the structure of biomolecules can now be studied at near atomic resolution by cryo-electron microscopy (cryo-EM) while capturing multiple dynamic states. Here we review the recent progress in cryo-EM for structural studies of dynamic biological macromolecules. We provide an overview of the cryo-EM method and introduce contemporary studies to investigate biomolecular structure and dynamics, including examples from the recent literature. Cryo-EM is a powerful tool for the investigation of biological macromolecular structures including analysis of their dynamics by using advanced image-processing algorithms. The method has become even more widely applicable with present-day single particle analysis and electron tomography. The cryo-EM method can be used to determine the three-dimensional structure of biomacromolecules in near native condition at close to atomic resolution, and has the potential to reveal conformations of dynamic molecular complexes. This article is part of a Special Issue entitled "Biophysical Exploration of Dynamical Ordering of Biomolecular Systems" edited by Dr. Koichi Kato. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

  9. Intellective high-precision macromolecule resistance temperature/humidity instrument

    Science.gov (United States)

    Liu, Guixiong; Zhou, Qinhe; Kuang, Yongcong; Xu, Jing; Zeng, Zhixin

    2001-09-01

    Considering that the resistance of macromolecule resistor varies in a wide range and humidity sensor component is sensitive to temperature as well, a intelligent high- precision macromolecule resistance temperature/humidity instrument was proposed in this paper, the instrument is based on the integration of frequency-and-period-measuring method, and sensing characteristic calculation and compensation using interpolation. Practical applications show that the instrument has the advantages of high precision, simple peripheral circuit, low cost, suitability for remote measurement, strong ability of anti-interference and wide operation range.

  10. ASPHERICITY AND PROLATENESS OF LINEAR AND CIRCULAR MACROMOLECULES

    Institute of Scientific and Technical Information of China (English)

    WEI Gaoyuan

    1995-01-01

    The shape asymmetry of gaussian models of linear and circular macromolecules has been numerically invesigated in terms of asphericity and prolateness parameters. These parameters are found to decrease with increasing length for the macromolecule either confined to a plane or in three dimensions. The effect of dimensionality on these parameters is visible only for low dimensions and is generally weak. As dimensionality goes to infinity, it is found that asphericity and prolateness for both chains and rings approach slowly yet descendingly values of corresponding asphericity and prolateness factors, with the exception of the chain which shows a minimum value of asphericity when the embedding space has a dimensionality of four.

  11. Capturing appearance

    Science.gov (United States)

    Rushmeier, Holly E.

    2005-01-01

    For computer graphics applications, capturing the appearance parameters of objects (reflectance, transmittance and small scale surface structures), is as important as capturing the overall shape. We briefly review recent approaches developed by the computer graphics community to solve this problem. Excellent results have been obtained by various researchers measuring spatially varying reflectance functions for some classes of objects. We will consider some challenges from two of the remaining problematic classes of objects. First we will describe our experience scanning and modeling the throne of Tutankhamen. The major difficulties in this case were that the base shape was a highly detailed non-convex geometry with complex topology, and the shape was covered by optically uncooperative gold and silver. Then we will discuss some observations from our ongoing project to scan and model historic buildings on the Yale campus. The major difficulties in this second case are quantity of data and the lack of control over acquisition conditions.

  12. Are you a master of charge capture?

    Science.gov (United States)

    Morgan, Bruce; Brown, Jim

    2005-03-01

    Healthcare providers are increasingly recognizing the importance of investing in the middle segment of the revenue cycle. Although the middle segment often represents an area of significant revenue leakage, it is also the area with the greatest potential to improve revenue recognition, through improved processes as well as the application of new technologies.

  13. A closure relation to molecular theory of solvation for macromolecules

    Science.gov (United States)

    Kobryn, Alexander E.; Gusarov, Sergey; Kovalenko, Andriy

    2016-10-01

    We propose a closure to the integral equations of molecular theory of solvation, particularly suitable for polar and charged macromolecules in electrolyte solution. This includes such systems as oligomeric polyelectrolytes at a finite concentration in aqueous and various non-aqueous solutions, as well as drug-like compounds in solution. The new closure by Kobryn, Gusarov, and Kovalenko (KGK closure) imposes the mean spherical approximation (MSA) almost everywhere in the solvation shell but levels out the density distribution function to zero (with the continuity at joint boundaries) inside the repulsive core and in the spatial regions of strong density depletion emerging due to molecular associative interactions. Similarly to MSA, the KGK closure reduces the problem to a linear equation for the direct correlation function which is predefined analytically on most of the solvation shells and has to be determined numerically on a relatively small (three-dimensional) domain of strong depletion, typically within the repulsive core. The KGK closure leads to the solvation free energy in the form of the Gaussian fluctuation (GF) functional. We first test the performance of the KGK closure coupled to the reference interaction site model (RISM) integral equations on the examples of Lennard-Jones liquids, polar and nonpolar molecular solvents, including water, and aqueous solutions of simple ions. The solvation structure, solvation chemical potential, and compressibility obtained from RISM with the KGK closure favorably compare to the results of the hypernetted chain (HNC) and Kovalenko-Hirata (KH) closures, including their combination with the GF solvation free energy. We then use the KGK closure coupled to RISM to obtain the solvation structure and thermodynamics of oligomeric polyelectrolytes and drug-like compounds at a finite concentration in electrolyte solution, for which no convergence is obtained with other closures. For comparison, we calculate their solvation

  14. Effects of high hydrostatic pressures on living cells: a consequence of the properties of macromolecules and macromolecule-associated water.

    Science.gov (United States)

    Mentré, P; Hui Bon Hoa, G

    2001-01-01

    Sixty percent of the Earth's biomass is found in the sea, at depths greater than 1000 m, i.e., at hydrostatic pressures higher than 100 atm. Still more surprising is the fact that living cells can reversibly withstand pressure shifts of 1000 atm. One explanation lies in the properties of cellular water. Water forms a very thin film around macromolecules, with a heterogeneous structure that is an image of the heterogeneity of the macromolecular surface. The density of water in contact with macromolecules reflects the physical properties of their different domains. Therefore, any macromolecular shape variations involving the reorganization of water and concomitant density changes are sensitive to pressure (Le Chatelier's principle). Most of the pressure-induced changes to macromolecules are reversible up to 2000 atm. Both the effects of pressure shifts on living cells and the characteristics of pressure-adapted species are opening new perspectives on fundamental problems such as regulation and adaptation.

  15. Neutron capture therapies

    Energy Technology Data Exchange (ETDEWEB)

    Yanch, Jacquelyn C. (Cambridge, MA); Shefer, Ruth E. (Newton, MA); Klinkowstein, Robert E. (Winchester, MA)

    1999-01-01

    In one embodiment there is provided an application of the .sup.10 B(n,.alpha.).sup.7 Li nuclear reaction or other neutron capture reactions for the treatment of rheumatoid arthritis. This application, called Boron Neutron Capture Synovectomy (BNCS), requires substantially altered demands on neutron beam design than for instance treatment of deep seated tumors. Considerations for neutron beam design for the treatment of arthritic joints via BNCS are provided for, and comparisons with the design requirements for Boron Neutron Capture Therapy (BNCT) of tumors are made. In addition, exemplary moderator/reflector assemblies are provided which produce intense, high-quality neutron beams based on (p,n) accelerator-based reactions. In another embodiment there is provided the use of deuteron-based charged particle reactions to be used as sources for epithermal or thermal neutron beams for neutron capture therapies. Many d,n reactions (e.g. using deuterium, tritium or beryllium targets) are very prolific at relatively low deuteron energies.

  16. Neutron capture therapies

    Energy Technology Data Exchange (ETDEWEB)

    Yanch, J.C.; Shefer, R.E.; Klinkowstein, R.E.

    1999-11-02

    In one embodiment there is provided an application of the {sup 10}B(n,{alpha}){sup 7}Li nuclear reaction or other neutron capture reactions for the treatment of rheumatoid arthritis. This application, called Boron Neutron Capture Synovectomy (BNCS), requires substantially altered demands on neutron beam design than for instance treatment of deep seated tumors. Considerations for neutron beam design for the treatment of arthritic joints via BNCS are provided for, and comparisons with the design requirements for Boron Neutron Capture Therapy (BNCT) of tumors are made. In addition, exemplary moderator/reflector assemblies are provided which produce intense, high-quality neutron beams based on (p,n) accelerator-based reactions. In another embodiment there is provided the use of deuteron-based charged particle reactions to be used as sources for epithermal or thermal neutron beams for neutron capture therapies. Many d,n reactions (e.g. using deuterium, tritium or beryllium targets) are very prolific at relatively low deuteron energies.

  17. Isolation of cell nuclei using inert macromolecules to mimic the crowded cytoplasm.

    Directory of Open Access Journals (Sweden)

    Ronald Hancock

    Full Text Available Cell nuclei are commonly isolated and studied in media which include millimolar concentrations of cations, which conserve the nuclear volume by screening the negative charges on chromatin and maintaining its compaction. However, two factors question if these ionic conditions correctly reproduce the environment of nuclei in vivo: the small-scale motion and conformation of chromatin in vivo are not reproduced in isolated nuclei, and experiments and theory suggest that small ions in the cytoplasm are not free in the soluble phase but are predominantly bound to macromolecules. We studied the possible role in maintaining the structure and functions of nuclei in vivo of a further but frequently overlooked property of the cytoplasm, the crowding or osmotic effects caused by diffusible macromolecules whose concentration, measured in several studies, is in the range of 130 mg/ml. Nuclei which conserved their volume in the cell and their ultrastructure seen by electron microscopy were released from K562 cells in media containing the inert polymer 70 kDa Ficoll (50% w/v or 70 kDa dextran (35% w/v to replace the diffusible cytoplasmic molecules which were dispersed on cell lysis with digitonin, with 100 microM K-Hepes buffer as the only source of ions. Immunofluorescence labelling and experiments using cells expressing GFP-fusion proteins showed that internal compartments (nucleoli, PML and coiled bodies, foci of RNA polymerase II were conserved in these nuclei, and nascent RNA transcripts could be elongated. Our observations are consistent with the hypothesis that crowding by diffusible cytoplasmic macromolecules is a crucial but overlooked factor which supports the nucleus in vivo by equilibrating the opposing osmotic pressure cause by the high concentration of macromolecules in the nucleus, and suggest that crowded media provide more physiological conditions to study nuclear structure and functions. They may also help to resolve the long-standing paradox

  18. Insulin facilitates transport of macromolecules and nutrients to muscles

    DEFF Research Database (Denmark)

    Christensen, N J; Hilsted, J

    1993-01-01

    , systolic blood pressure and plasma noradrenaline. These changes were absent or attenuated in diabetic patients (without neuropathy) after an oral glucose load. These responses were normalized by insulin infusion. Our results suggest that insulin facilitates the transfer of macromolecules and nutrients from...

  19. DEDUCTION OF EVOLUTIONARY RELATIONSHIPS FROM THE STRUCTURE OF MACROMOLECULES

    NARCIS (Netherlands)

    BEINTEMA, JJ

    1992-01-01

    Macromolecules can be used to derive evolutionary relationships. This discovery has led to the development of a new discipline in biology, molecular evolution. A brief survey of several aspects of this new field of investigation is presented, together with references to historical and more recent li

  20. Crystallogenesis of biological macromolecules. Biological, microgravity and other physicochemical aspects

    NARCIS (Netherlands)

    Giege, R; Drenth, J; Ducruix, A; McPherson, A; Saenger, W

    1995-01-01

    After an historical introduction and justification of the importance of proteins (as well as other macromolecules or macromolecular assemblies of biological origin) in modern biology but also in physics, this review presents the state of the field of macromolecular crystallogenesis. The basic questi

  1. Reduced adipose tissue lymphatic drainage of macromolecules in obese subjects

    DEFF Research Database (Denmark)

    Arngrim, N; Simonsen, L; Holst, Jens Juul

    2012-01-01

    The aim of this study was to investigate subcutaneous adipose tissue lymphatic drainage (ATLD) of macromolecules in lean and obese subjects and, furthermore, to evaluate whether ATLD may change in parallel with adipose tissue blood flow. Lean and obese male subjects were studied before and after ...... online publication, 3 July 2012; doi:10.1038/ijo.2012.98....

  2. Dermal and transdermal delivery of pharmaceutically relevant macromolecules.

    Science.gov (United States)

    Münch, S; Wohlrab, J; Neubert, R H H

    2017-10-01

    The skin offers an attractive way for dermal and transdermal drug delivery that is why the drug still needs certain qualities to transcend the outermost layer of the skin, the stratum corneum. The requirements are: drugs with a maximum molecular weight of 1kDa, high lipophilicity and a certain polarity. This would restrict the use of a transdermal delivery of macromolecules, which would make the drug more effective in therapeutic administration. Various studies have shown that macromolecules without support do not penetrate the human skin. This effect can be achieved using physical and chemical methods, as well as biological peptides. The most popular physical method is the use of microneedles to create micropores in the skin and release the active agent in different sections. But also, other methods have been tested. Microjets, lasers, electroporation, sonophoresis and iontophoresis are also promising methods to successfully deliver dermal and transdermal macromolecules. Additionally, there are different penetration enhancer groups and biological peptides, which are also considered to be interesting approaches of enabling macromolecules to travel along the skin. All these methods will be described and evaluated in this review article. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Antimicrobial resistance challenged with metal-based antimicrobial macromolecules.

    Science.gov (United States)

    Abd-El-Aziz, Alaa S; Agatemor, Christian; Etkin, Nola

    2017-02-01

    Antimicrobial resistance threatens the achievements of science and medicine, as it deactivates conventional antimicrobial therapeutics. Scientists respond to the threat by developing new antimicrobial platforms to prevent and treat infections from these resistant strains. Metal-based antimicrobial macromolecules are emerging as an alternative to conventional platforms because they combine multiple mechanisms of action into one platform due to the distinctive properties of metals. For example, metals interact with intracellular proteins and enzymes, and catalyse various intracellular processes. The macromolecular architecture offers a means to enhance antimicrobial activity since several antimicrobial moieties can be conjugated to the scaffold. Further, these macromolecules can be fabricated into antimicrobial materials for contact-killing medical implants, fabrics, and devices. As volatilization or leaching out of the antimicrobial moieties from the macromolecular scaffold is reduced, these medical implants, fabrics, and devices can retain their antimicrobial activity over an extended period. Recent advances demonstrate the potential of metal-based antimicrobial macromolecules as effective platforms that prevent and treat infections from resistant strains. In this review these advances are thoroughly discussed within the context of examples of metal-based antimicrobial macromolecules, their mechanisms of action and biocompatibility. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. Microfluidic device and method for processing of macromolecules

    DEFF Research Database (Denmark)

    2012-01-01

    to the first set of outlets is guided through the reaction channels, and second inlet and outlet channels for feeding an enzymatic reagent to the reaction chamber essentially without displacing the macromolecule containers trapped in the reaction channels, wherein the second set of inlets and outlets...

  5. Crystallization of biological macromolecules in a reduced gravity environment

    Science.gov (United States)

    Meehan, E. J., Jr.

    1979-01-01

    A battery of micro techniques were developed which allow the screening of a large number of conditions using only a small amount of the macromolecule. The need to develop methodologies for growing large crystals required for neutron diffraction studies is discussed.

  6. Interactions between adsorbed macromolecules : measurements on emulsions and liquid films

    NARCIS (Netherlands)

    Vliet, van T.

    1977-01-01

    The aim of this study was to gain more insight into the factors, determining the inter- and intramolecular interactions between adsorbed macromolecules. To that end several experimental and theoretical approaches were followed, using well-defined systems. It was shown that these interactions could c

  7. Synthesis of main-chain metal carbonyl organometallic macromolecules (MCMCOMs).

    Science.gov (United States)

    Cao, Kai; Murshid, Nimer; Wang, Xiaosong

    2015-04-01

    Synthesis of main-chain metal carbonyl organometallic macromolecules (MCMCOMs) is difficult, mainly due to the instability of metal carbonyl complexes. Despite its challenge a number of MCMCOMs has been prepared by strategically using organometallic, organic, and polymer synthetic chemistry. Main contributions to this research field were reported by the groups of Tyler, Pannell, and Wang and are briefly summarized in this article.

  8. Bioenergetic aspects of the translocation of macromolecules across bacterial membranes

    NARCIS (Netherlands)

    Palmen, Ronald; Driessen, Arnold J.M.; Hellingwerf, K

    1994-01-01

    Bacteria are extremely versatile in the sense that they have gained the ability to transport all three major classes of biopolymers through their cell envelope: proteins, nucleic acids, and polysaccharides. These macromolecules are translocated across membranes in a large number of cellular processe

  9. Light-Switchable Azobenzene-Containing Macromolecules: From UV to Near Infrared.

    Science.gov (United States)

    Weis, Philipp; Wu, Si

    2017-06-23

    Azobenzene-containing macromolecules (azo-macromolecules) such as azobenzene-containing polymers (azopolymers) and azobenzene-functionalized biomacromolecules are photoswitchable macromolecules. Trans-to-cis photoisomerization in conventional azo-macromolecules is induced by ultraviolet (UV) light. However, UV light cannot penetrate deeply into issue and has a very small fraction in sunlight. Therefore, conventional azo-macromolecules are problematic for biomedical and solar-energy-related applications. In this Feature Article, the strategies for constructing visible and near-infrared (NIR) light-responsive azo-macromolecules are reviewed, and the potential applications of visible- and NIR-light-responsive azo-macromolecules in biomedicine and solar energy conversion are highlighted. The remaining challenges in the field of photoswitchable azo-macromolecules are discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Surface Characteristics and Adhesion Behavior of Escherichia coli O157:H7: Role of Extracellular Macromolecules

    Science.gov (United States)

    Surface macromolecule cleavage experiments were conducted on enterohaemorrhagic Escherichia coli O157:H7 cells to investigate the influence of these macromolecules on cell surface properties. Electrophoretic mobility, hydrophobicity, and titration experiments were carried out on proteinase K treate...

  11. Vesicular uptake of macromolecules by human placental amniotic epithelial cells.

    Science.gov (United States)

    Sharshiner, Rita; Brace, Robert A; Cheung, Cecilia Y

    2017-09-01

    Studies in animal models have shown that unidirectional vesicular transport of amniotic fluid across the amnion plays a primary role in regulating amniotic fluid volume. Our objective was to explore vesicle type, vesicular uptake and intracellular distribution of vesicles in human amnion cells using high- and super-resolution fluorescence microscopy. Placental amnion was obtained at cesarean section and amnion cells were prepared and cultured. At 20%-50% confluence, the cells were incubated with fluorophore conjugated macromolecules for 1-30 min at 22 °C or 37 °C. Fluorophore labeled macromolecules were selected as markers of receptor-mediated caveolar and clathrin-coated vesicular uptake as well as non-specific endocytosis. After fluorophore treatment, the cells were fixed, imaged and vesicles counted using Imaris(®) software. Vesicular uptake displayed first order saturation kinetics with half saturation times averaging 1.3 min at 37 °C compared to 4.9 min at 22 °C, with non-specific endocytotic uptake being more rapid at both temperatures. There was extensive cell-to-cell variability in uptake rate. Under super-resolution microscopy, the pattern of intracellular spatial distribution was distinct for each macromolecule. Co-localization of fluorescently labeled macromolecules was very low at vesicular dimensions. In human placental amnion cells, 1) vesicular uptake of macromolecules is rapid, consistent with the concept that vesicular transcytosis across the amnion plays a role in the regulation of amniotic fluid volume; 2) uptake is temperature dependent and variable among individual cells; 3) the unique intracellular distributions suggest distinct functions for each vesicle type; 4) non-receptor mediated vesicular uptake may be a primary vesicular uptake mechanism. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Electrostatic protein immobilization using charged polyacrylamide gels and cationic detergent microfluidic Western blotting.

    Science.gov (United States)

    Kim, Dohyun; Karns, Kelly; Tia, Samuel Q; He, Mei; Herr, Amy E

    2012-03-06

    We report a novel protein immobilization matrix for fully integrated microfluidic Western blotting (WB). The electrostatic immobilization gel (EIG) enables immobilization of all proteins sized using cetyl trimethylammonium bromide polyacrylamide gel electrophoresis (CTAB-PAGE), for subsequent electrophoretic probing with detection affinity reagents (e.g., labeled antibodies). The "pan-analyte" capture strategy introduced here uses polyacrylamide gel grafted with concentrated point charges (zwitterionic macromolecules), in contrast to existing microfluidic WB strategies that rely on a sandwich immunoassay format for analyte immobilization and detection. Sandwich approaches limit analyte immobilization to capture of only a priori known targets. A charge interaction mechanism study supports the hypothesis that electrostatic interaction plays a major role in analyte immobilization on the EIG. We note that protein capture efficiency depends on both the concentration of copolymerized charges and ionic strength of the gel buffer. We demonstrate pan-analyte immobilization of sized CTAB-laden model proteins (protein G, ovalbumin, bovine serum albumin, β-galactosidase, lactoferrin) on the EIG with initial capture efficiencies ranging from 21 to 100%. Target proteins fixed on the EIG (protein G, lactoferrin) are detected using antibody probes with signal-to-noise ratios of 34 to 275. The approach advances protein immunoblotting performance through 200× reduction on sample consumption, 12× reduction in assay duration, and automated assay operation, compared to slab-gel WB. Using the microfluidic WB assay, assessment of lactoferrin in human tear fluid is demonstrated with a goal of advancing toward nonbiopsy-based diagnosis of Sjögren's Syndrome, an autoimmune disease.

  13. Macromolecule Mediated Transport and Retention of Escherichia coli O157:H7 in Saturated Porous Media

    Science.gov (United States)

    The role of extracellular macromolecules on Escherichia coli O157:H7 transport and retention was investigated in saturated porous media. To compare the relative transport and retention of E. coli cells that are macromolecule rich and deficient, macromolecules were partially cleaved using a proteolyt...

  14. Measuring Equilibrium Binding Affinity of Biological Macromolecules in Solution by Thermophoresis

    Science.gov (United States)

    2015-05-18

    Approved for Public Release; Distribution Unlimited Final Report: Measuring Equilibrium Binding Affinity of Biological Macromolecules in Solution by...Equilibrium Binding Affinity of Biological Macromolecules in Solution by Thermophoresis Report Title The primary research focus of the San Diego State...equilibrium binding affinities of biological macromolecules in solution. This qauntitative information plays a vital role in supporting the static

  15. Electron Capture Dissociation of Trivalent Metal Ion-Peptide Complexes

    National Research Council Canada - National Science Library

    Flick, Tawnya G; Donald, William A; Williams, Evan R

    2013-01-01

    .... ECD of these doubly charged complexes containing MT results in significantly higher electron capture efficiency and sequence coverage than peptide-divalent metal ion complexes that have the same net charge...

  16. Isothermal Titration Calorimetry for Measuring Macromolecule-Ligand Affinity

    Science.gov (United States)

    Duff,, Michael R.; Grubbs, Jordan; Howell, Elizabeth E.

    2011-01-01

    Isothermal titration calorimetry (ITC) is a useful tool for understanding the complete thermodynamic picture of a binding reaction. In biological sciences, macromolecular interactions are essential in understanding the machinery of the cell. Experimental conditions, such as buffer and temperature, can be tailored to the particular binding system being studied. However, careful planning is needed since certain ligand and macromolecule concentration ranges are necessary to obtain useful data. Concentrations of the macromolecule and ligand need to be accurately determined for reliable results. Care also needs to be taken when preparing the samples as impurities can significantly affect the experiment. When ITC experiments, along with controls, are performed properly, useful binding information, such as the stoichiometry, affinity and enthalpy, are obtained. By running additional experiments under different buffer or temperature conditions, more detailed information can be obtained about the system. A protocol for the basic setup of an ITC experiment is given. PMID:21931288

  17. High and low thermal conductivity of amorphous macromolecules

    Science.gov (United States)

    Xie, Xu; Yang, Kexin; Li, Dongyao; Tsai, Tsung-Han; Shin, Jungwoo; Braun, Paul V.; Cahill, David G.

    2017-01-01

    We measure the thermal conductivity, heat capacity and sound velocity of thin films of five polymers, nine polymer salts, and four caged molecules to advance the fundamental understanding of the lower and upper limits to heat conduction in amorphous macromolecules. The thermal conductivities vary by more than one order of magnitude, from 0.06 W m-1K-1 for [6,6]-phenyl-C71-butyric acid methyl ester to 0.67 W m-1K-1 for poly(vinylphosphonic acid calcium salt). Minimum thermal conductivity calculated from the measured sound velocity and effective atomic density is in good agreement with the thermal conductivity of macromolecules with various molecular structures and intermolecular bonding strength.

  18. Plasmodesmata: intercellular tunnels facilitating transport of macromolecules in plants.

    Science.gov (United States)

    Kragler, Friedrich

    2013-04-01

    In plants, intercellular structures named plasmodesmata (PD) form a continuous cytoplasmic network between neighboring cells. PD pores provide channels for intercellular symplasmic (cell-to-cell) transport throughout most tissues of the plant body. Cell-defining proteins, such as transcription factors, and regulatory non-coding sequences, such as short interfering RNA, micro RNA, protein-encoding messenger RNAs, viroids, and viral RNA/DNA genomes move via PD channels to adjacent cells. PD-mediated intercellular transport of macromolecules is a regulated process depending on the tissue, developmental stage, and nature of the transported macromolecule. In this review, PD channels and their similarity to tunneling nanotubes present in animals are highlighted. In addition, homeodomain protein movement and cellular components regulating transport are discussed.

  19. Synthesis, Characterisation and Application of 68Ga-labelled Macromolecules

    OpenAIRE

    Velikyan, Irina

    2005-01-01

    The positron emitting radionuclide 68Ga (T1/2 = 68 min) might become of practical interest for clinical positron emission tomography (PET). The metallic cation, 68Ga(III), is suitable for complexation with chelators, either naked or conjugated with biological macromolecules. Such labelling procedures require pure and concentrated preparations of 68Ga(III), which cannot be sufficiently fulfilled by the presently available 68Ge/68Ga generator eluate. This thesis presents methods to increase the...

  20. MEASURING THE SHAPES OF MACROMOLECULES – AND WHY IT MATTERS

    Directory of Open Access Journals (Sweden)

    Jie Li

    2013-09-01

    Full Text Available The molecular basis of life rests on the activity of biological macromolecules, mostly nucleic acids and proteins. A perhaps surprising finding that crystallized over the last handful of decades is that geometric reasoning plays a major role in our attempt to understand these activities. In this paper, we address this connection between geometry and biology, focusing on methods for measuring and characterizing the shapes of macromolecules. We briefly review existing numerical and analytical approaches that solve these problems. We cover in more details our own work in this field, focusing on the alpha shape theory as it provides a unifying mathematical framework that enable the analytical calculations of the surface area and volume of a macromolecule represented as a union of balls, the detection of pockets and cavities in the molecule, and the quantification of contacts between the atomic balls. We have shown that each of these quantities can be related to physical properties of the molecule under study and ultimately provides insight on its activity. We conclude with a brief description of new challenges for the alpha shape theory in modern structural biology.

  1. Localization of intracrystalline organic macromolecules in mollusk shells

    Science.gov (United States)

    Suzuki, Michio; Okumura, Taiga; Nagasawa, Hiromichi; Kogure, Toshihiro

    2011-12-01

    As a crucial first step for understanding the organic-inorganic interaction in biomineralization of mollscan shells, localization of the intracrystalline organic macromolecules in biogenic calcium carbonate crystals of the nacreous, prismatic ( Pinctada fucata) and foliated ( Cellana toreuma) microstructures were investigated using Fresnel contrast analysis in a transmission electron microscope. Spherular Fresnel contrasts in the crystals correspond to organic substances, which was confirmed by the detection of 1s→π * (CC) transition peak at 284 eV in electron energy loss spectroscopy. Nano-sized (5-10 nm) spherules in the aragonite tablets constituting the nacreous layer of P. fucata specifically concentrate in the vicinity of the interlamellar membrane between the aragonite tablets. The dominant sizes of the organic macromolecules extracted by dissolving the aragonite tablets in the nacreous layer of P. fucata were estimated using the gel-filtration analysis to be roughly 10 and 4 nm, which dimensionally corresponds to the sizes observed by Fresnel contrast imaging in the tablets. These results will serve for understanding the functions of intracrystalline organic macromolecules in mollusk shells.

  2. Measuring the shapes of macromolecules – and why it matters

    Directory of Open Access Journals (Sweden)

    Jie Li

    2013-09-01

    Full Text Available The molecular basis of life rests on the activity of biological macromolecules, mostly nucleic acids and proteins. A perhaps surprising finding that crystallized over the last handful of decades is that geometric reasoning plays a major role in our attempt to understand these activities. In this paper, we address this connection between geometry and biology, focusing on methods for measuring and characterizing the shapes of macromolecules. We briefly review existing numerical and analytical approaches that solve these problems. We cover in more details our own work in this field, focusing on the alpha shape theory as it provides a unifying mathematical framework that enable the analytical calculations of the surface area and volume of a macromolecule represented as a union of balls, the detection of pockets and cavities in the molecule, and the quantification of contacts between the atomic balls. We have shown that each of these quantities can be related to physical properties of the molecule under study and ultimately provides insight on its activity. We conclude with a brief description of new challenges for the alpha shape theory in modern structural biology.

  3. Measuring the shapes of macromolecules - and why it matters.

    Science.gov (United States)

    Li, Jie; Mach, Paul; Koehl, Patrice

    2013-01-01

    The molecular basis of life rests on the activity of biological macromolecules, mostly nucleic acids and proteins. A perhaps surprising finding that crystallized over the last handful of decades is that geometric reasoning plays a major role in our attempt to understand these activities. In this paper, we address this connection between geometry and biology, focusing on methods for measuring and characterizing the shapes of macromolecules. We briefly review existing numerical and analytical approaches that solve these problems. We cover in more details our own work in this field, focusing on the alpha shape theory as it provides a unifying mathematical framework that enable the analytical calculations of the surface area and volume of a macromolecule represented as a union of balls, the detection of pockets and cavities in the molecule, and the quantification of contacts between the atomic balls. We have shown that each of these quantities can be related to physical properties of the molecule under study and ultimately provides insight on its activity. We conclude with a brief description of new challenges for the alpha shape theory in modern structural biology.

  4. Self-organization of amphiphilic macromolecules with local helix structure in concentrated solutions.

    Science.gov (United States)

    Glagolev, M K; Vasilevskaya, V V; Khokhlov, A R

    2012-08-28

    Concentrated solutions of amphiphilic macromolecules with local helical structure were studied by means of molecular dynamic simulations. It is shown that in poor solvent the macromolecules are assembled into wire-like aggregates having complex core-shell structure. The core consists of a hydrophobic backbone of the chains which intertwine around each other. It is protected by the shell of hydrophilic side groups. In racemic mixture of right-hand and left-hand helix macromolecules the wire-like complex is a chain of braid bundles of macromolecules with the same chirality stacking at their ends. The average number of macromolecules in the wire cross-section is close to that of separate bundles observed in dilute solutions of such macromolecules. The effects described here could serve as a simple model of self-organization in solutions of macromolecules with local helical structure.

  5. Charge-regularization effects on polyelectrolytes

    Science.gov (United States)

    Muthukumar, Murugappan

    2012-02-01

    When electrically charged macromolecules are dispersed in polar solvents, their effective net charge is generally different from their chemical charges, due to competition between counterion adsorption and the translational entropy of dissociated counterions. The effective charge changes significantly as the experimental conditions change such as variations in solvent quality, temperature, and the concentration of added small electrolytes. This charge-regularization effect leads to major difficulties in interpreting experimental data on polyelectrolyte solutions and challenges in understanding the various polyelectrolyte phenomena. Even the most fundamental issue of experimental determination of molar mass of charged macromolecules by light scattering method has been difficult so far due to this feature. We will present a theory of charge-regularization of flexible polyelectrolytes in solutions and discuss the consequences of charge-regularization on (a) experimental determination of molar mass of polyelectrolytes using scattering techniques, (b) coil-globule transition, (c) macrophase separation in polyelectrolyte solutions, (c) phase behavior in coacervate formation, and (d) volume phase transitions in polyelectrolyte gels.

  6. Natural materials for carbon capture.

    Energy Technology Data Exchange (ETDEWEB)

    Myshakin, Evgeniy M. (National Energy Technology Laboratory, Pittsburgh, PA); Romanov, Vyacheslav N. (National Energy Technology Laboratory, Pittsburgh, PA); Cygan, Randall Timothy

    2010-11-01

    Naturally occurring clay minerals provide a distinctive material for carbon capture and carbon dioxide sequestration. Swelling clay minerals, such as the smectite variety, possess an aluminosilicate structure that is controlled by low-charge layers that readily expand to accommodate water molecules and, potentially, carbon dioxide. Recent experimental studies have demonstrated the efficacy of intercalating carbon dioxide in the interlayer of layered clays but little is known about the molecular mechanisms of the process and the extent of carbon capture as a function of clay charge and structure. A series of molecular dynamics simulations and vibrational analyses have been completed to assess the molecular interactions associated with incorporation of CO2 in the interlayer of montmorillonite clay and to help validate the models with experimental observation.

  7. Electric double layer and electrokinetic potential of pectic macromolecules in sugar beet

    Directory of Open Access Journals (Sweden)

    Kuljanin Tatjana A.

    2008-01-01

    Full Text Available Electrokinetic potential is an important property of colloidal particles and, regarding the fact that it is a well defined and easily measurable property, it is considered to be a permanent characteristic of a particular colloidal system. In fact, it is a measure of electrokinetic charge that surrounds the colloidal particle in a solution and is in direct proportion with the mobility of particles in an electric field. Gouy-Chapman-Stern-Graham's model of electric double layer was adopted and it was proven experimentally that the addition of Cu++ ions to sugar beet pectin caused a reduction in the negative electrokinetic potential proportional to the increase of Cu++ concentration. Higher Cu++ concentrations increased the proportion of cation specific adsorption (Cu++ and H+ with regard to electrostatic Coulombic forces. Consequently, there is a shift in the shear plane between the fixed and diffuse layers directed towards the diffuse layer, i.e. towards its compression and decrease in the electrokinetic potential or even charge inversion of pectin macromolecules.

  8. Nanotribology of charged polymer brushes

    Science.gov (United States)

    Klein, Jacob

    Polymers at surfaces, whose modern understanding may be traced back to early work by Sam Edwards1, have become a paradigm for modification of surface properties, both as steric stabilizers and as remarkable boundary lubricants2. Charged polymer brushes are of particular interest, with both technological implications and especially biological relevance where most macromolecules are charged. In the context of biolubrication, relevant in areas from dry eye syndrome to osteoarthritis, charged polymer surface phases and their complexes with other macromolecules may play a central role. The hydration lubrication paradigm, where tenaciously-held yet fluid hydration shells surrounding ions or zwitterions serve as highly-efficient friction-reducing elements, has been invoked to understand the excellent lubrication provided both by ionized3 and by zwitterionic4 brushes. In this talk we describe recent advances in our understanding of the nanotribology of such charged brush systems. We consider interactions between charged end-grafted polymers, and how one may disentangle the steric from the electrostatic surface forces5. We examine the limits of lubrication by ionized brushes, both synthetic and of biological origins, and how highly-hydrated zwitterionic chains may provide extremely effective boundary lubrication6. Finally we describe how the lubrication of articular cartilage in the major joints, a tribosystem presenting some of the greatest challenges and opportunities, may be understood in terms of a supramolecular synergy between charged surface-attached polymers and zwitterionic groups7. Work supported by European Research Council (HydrationLube), Israel Science Foundation (ISF), Petroleum Research Fund of the American Chemical Society, ISF-NSF China Joint Program.

  9. Heuristic modeling of macromolecule release from PLGA microspheres

    Directory of Open Access Journals (Sweden)

    Szlęk J

    2013-12-01

    Full Text Available Jakub Szlęk,1 Adam Pacławski,1 Raymond Lau,2 Renata Jachowicz,1 Aleksander Mendyk11Department of Pharmaceutical Technology and Biopharmaceutics, Jagiellonian University Medical College, Krakow, Poland; 2School of Chemical and Biomedical Engineering, Nanyang Technological University (NTU, SingaporeAbstract: Dissolution of protein macromolecules from poly(lactic-co-glycolic acid (PLGA particles is a complex process and still not fully understood. As such, there are difficulties in obtaining a predictive model that could be of fundamental significance in design, development, and optimization for medical applications and toxicity evaluation of PLGA-based multiparticulate dosage form. In the present study, two models with comparable goodness of fit were proposed for the prediction of the macromolecule dissolution profile from PLGA micro- and nanoparticles. In both cases, heuristic techniques, such as artificial neural networks (ANNs, feature selection, and genetic programming were employed. Feature selection provided by fscaret package and sensitivity analysis performed by ANNs reduced the original input vector from a total of 300 input variables to 21, 17, 16, and eleven; to achieve a better insight into generalization error, two cut-off points for every method was proposed. The best ANNs model results were obtained by monotone multi-layer perceptron neural network (MON-MLP networks with a root-mean-square error (RMSE of 15.4, and the input vector consisted of eleven inputs. The complicated classical equation derived from a database consisting of 17 inputs was able to yield a better generalization error (RMSE of 14.3. The equation was characterized by four parameters, thus feasible (applicable to standard nonlinear regression techniques. Heuristic modeling led to the ANN model describing macromolecules release profiles from PLGA microspheres with good predictive efficiency. Moreover genetic programming technique resulted in classical equation with

  10. Bending dynamics of semi-flexible macromolecules in isotropic turbulence

    CERN Document Server

    Ali, Aamir; Vincenzi, Dario

    2014-01-01

    We study the Lagrangian dynamics of semi-flexible macromolecules in laminar as well as in homogeneous and isotropic turbulent flows by means of analytically solvable stochastic models and direct numerical simulations. The statistics of the bending angle is qualitatively different in laminar and turbulent flows and exhibits a strong dependence on the topology of the velocity field. In particular, in two-dimensional turbulence, particles are either found in a fully extended or in a fully folded configuration; in three dimensions, the predominant configuration is the fully extended one.

  11. Conformations of Macromolecules and their Complexes from Heterogeneous Datasets

    CERN Document Server

    Schwander, P; Ourmazd, A

    2014-01-01

    We describe a new generation of algorithms capable of mapping the structure and conformations of macromolecules and their complexes from large ensembles of heterogeneous snapshots, and demonstrate the feasibility of determining both discrete and continuous macromolecular conformational spectra. These algorithms naturally incorporate conformational heterogeneity without resort to sorting and classification, or prior knowledge of the type of heterogeneity present. They are applicable to single-particle diffraction and image datasets produced by X-ray lasers and cryo-electron microscopy, respectively, and particularly suitable for systems not easily amenable to purification or crystallization.

  12. Arrangement of a nanostructure array to control equilibrium and nonequilibrium transports of macromolecules.

    Science.gov (United States)

    Yasui, Takao; Kaji, Noritada; Ogawa, Ryo; Hashioka, Shingi; Tokeshi, Manabu; Horiike, Yasuhiro; Baba, Yoshinobu

    2015-05-13

    Exploiting the nonequilibrium transport of macromolecules makes it possible to increase the separation speed without any loss of separation resolution. Here we report the arrangement of a nanostructure array in microchannels to control equilibrium and nonequilibrium transports of macromolecules. The direct observation and separation of macromolecules in the nanopillar array reported here are the first to reveal the nonequilibrium transport, which has a potential to overcome the intrinsic trade-off between the separation speed and resolution.

  13. Dual Use of Amphiphilic Macromolecules As Cholesterol Efflux Triggers and Inhibitors of Macrophage Athero-inflammation

    Science.gov (United States)

    Iverson, Nicole; Plourde, Nicole M.; Sparks, Sarah M.; Wang, Jinzhong; Patel, Ekta; Shah, Pratik; Lewis, Daniel R.; Zablocki, Kyle; Nackman, Gary B.; Uhrich, Kathryn E.; Moghe, Prabhas V.

    2011-01-01

    Activated vascular wall macrophages can rapidly internalize modified lipoproteins and escalate the growth of atherosclerotic plaques. This article proposes a biomaterials-based therapeutic intervention for depletion of non-regulated cholesterol accumulation and inhibition of inflammation of macrophages. Macromolecules with high scavenger receptor (SR)-binding activity were investigated for SR-mediated delivery of agonists to cholesterol-trafficking nuclear liver-X receptors. From a diverse feature space of a family of amphiphilic macromolecules of linear and aromatic mucic acid backbones modified with varied aliphatic chains and conjugated with differentially branched poly(ethylene glycol), a key molecule (carboxyl-terminated, C12-derivatized, linear mucic acid backbone) was selected for its ability to preferentially bind scavenger receptor A (SR-A) as the key target. At a basal level, this macromolecule suppressed the pro-inflammatory signaling of activated THP-1 macrophages while competitively lowering oxLDL uptake in vitro through scavenger receptor SRA-1 targeting. To further deplete intracellular cholesterol, the core macromolecule structure was exploited to solubilize a hydrophobic small molecule agonist for nuclear Liver-X Receptors, which regulate the efflux of intracellular cholesterol. The macromolecule-encapsulated agonist system was found to reduce oxLDL accumulation by 88% in vitro in comparison to controls. In vivo studies were designed to release the macromolecules (with or without encapsulated agonist) to injured carotid arteries within Sprague Dawley rats fed a high fat diet, conditions that yield enhanced cholesterol accumulation and macrophage recruitment. The macromolecules lowered intimal levels of accumulated cholesterol (50% for macromolecule alone; 70% for macromolecule-encapsulated agonist) and inhibited macrophage retention (92% for macromolecule; 96% for macromolecule-encapsulated agonist; 4 days) relative to non-treated controls. Thus

  14. Selective extraction of proteins and other macromolecules from biological samples using molecular imprinted polymers.

    Science.gov (United States)

    Stevenson, Derek; El-Sharif, Hazim F; Reddy, Subrayal M

    2016-11-01

    The accurate determination of intact macromolecules in biological samples, such as blood, plasma, serum, urine, tissue and feces is a challenging problem. The increased interest in macromolecules both as candidate drugs and as biomarkers for diagnostic purposes means that new method development approaches are needed. This review charts developments in the use of molecularly imprinted polymers first for small-molecular-mass compounds then for proteins and other macromolecules. Examples of the development of molecularly imprinted polymers for macromolecules are highlighted. The two main application areas to date are sensors and separation science, particularly SPE. Examples include peptides and polypeptides, lysozyme, hemoglobin, ovalbumin, bovine serum albumin and viruses.

  15. Genetically targeted fluorogenic macromolecules for subcellular imaging and cellular perturbation.

    Science.gov (United States)

    Magenau, Andrew J D; Saurabh, Saumya; Andreko, Susan K; Telmer, Cheryl A; Schmidt, Brigitte F; Waggoner, Alan S; Bruchez, Marcel P

    2015-10-01

    The alteration of cellular functions by anchoring macromolecules to specified organelles may reveal a new area of therapeutic potential and clinical treatment. In this work, a unique phenotype was evoked by influencing cellular behavior through the modification of subcellular structures with genetically targetable macromolecules. These fluorogen-functionalized polymers, prepared via controlled radical polymerization, were capable of exclusively decorating actin, cytoplasmic, or nuclear compartments of living cells expressing localized fluorgen-activating proteins. The macromolecular fluorogens were optimized by establishing critical polymer architecture-biophysical property relationships which impacted binding rates, binding affinities, and the level of internalization. Specific labeling of subcellular structures was realized at nanomolar concentrations of polymer, in the absence of membrane permeabilization or transduction domains, and fluorogen-modified polymers were found to bind to protein intact after delivery to the cytosol. Cellular motility was found to be dependent on binding of macromolecular fluorogens to actin structures causing rapid cellular ruffling without migration. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Terahertz spectroscopy of dry, hydrated, and thermally denatured biological macromolecules

    Science.gov (United States)

    Lipscomb, Dawn; Echchgadda, Ibtissam; Ibey, Bennett L.; Beier, Hope; Thomas, Robert J.; Peralta, Xomalin; Wilmink, Gerald J.

    2012-03-01

    Terahertz time-domain spectroscopy (THz-TDS) is an effective technique to probe the intermolecular and collective vibrational modes of biological macromolecules at THz frequencies. To date, the vast majority of spectroscopic studies have been performed on dehydrated biomolecular samples. Given the fact that all biochemical processes occur in aqueous environments and water is required for proper protein folding and function, we hypothesize that valuable information can be gained from spectroscopic studies performed on hydrated biomolecules in their native conformation. In this study, we used a THz-TDS system that exploits photoconductive techniques for THz pulse generation and freespace electro-optical sampling approaches for detection. We used the THz spectrometer to measure the time-dependent electric field of THz waves upon interaction with water, phosphate buffered saline (PBS), and collagen gels. By comparing these waveforms with references, we simultaneously determined each sample's index of refraction (n) and absorption coefficients (μa) as a function of frequency. Our data show that the properties we measure for the water, PBS and collagen are comparable to those reported in the literature. In the future, we plan to examine the effect that both temperature and pH have on the optical properties of other biological macromolecules. Studies will also be performed to compare our results to those generated using molecular dynamics simulations.

  17. Intramolecular Charge Transfer of Conjugated Liquid Crystal Ferrocene Macromolecules - Synthesis and Characterization

    Science.gov (United States)

    2016-04-12

    MX 8.  PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS(ES) AFOSR/SOARD U.S. Embassy Santiago Av. Andres... precipitate formation is observed. Then, the solution is filtered, washed with toluene and H2O and the precipitated is used without more purification...a precipitate that was filtered off and washed with toluene H2O to obtain a pale orange powder in 82 % yield. mp 210-220°C. 1H NMR (300 MHz, CDCl3

  18. Recent Advances in Non-Invasive Delivery of Macromolecules using Nanoparticulate Carriers System.

    Science.gov (United States)

    Shadab, Md; Haque, Shadabul; Sheshala, Ravi; Meng, Lim Wei; Meka, Venkata Srikanth; Ali, Javed

    2017-01-01

    The drug delivery of macromolecules such as proteins and peptides has become an important area of research and represents the fastest expanding share of the market for human medicines. The most common method for delivering macromolecules is parenterally. However parenteral administration of some therapeutic macromolecules has not been effective because of their rapid clearance from the body. As a result, most macromolecules are only therapeutically useful after multiple injections, which causes poor compliance and systemic side effects. Therefore, there is a need to improve delivery of therapeutic macromolecules to enable non-invasive delivery routes, less frequent dosing through controlled-release drug delivery, and improved drug targeting to increase efficacy and reduce side effects. Non-invasive administration routes such as intranasal, pulmonary, transdermal, ocular and oral delivery have been attempted intensively by formulating macromolecules into nanoparticulate carriers system such as polymeric and lipidic nanoparticles. This review discusses barriers to drug delivery and current formulation technologies to overcome the unfavorable properties of macromolecules via non-invasive delivery (mainly intranasal, pulmonary, transdermal oral and ocular) with a focus on nanoparticulate carrier systems. This review also provided a summary and discussion of recent data on non-invasive delivery of macromolecules using nanoparticulate formulations. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  19. The Origin and the Future of Macromolecule Ionization by Laser Irradiation

    Institute of Scientific and Technical Information of China (English)

    KoichiTanaka

    2004-01-01

    Starting in 1984,a Shimadzu Corporation Central Research Laboratory development team set about the challenge of developinng an instrument for analyzing macromolecules such as proteins. At the time, the conventional consensus among chemists was that, “laser ionization of macromolecules exceeding a molecular weight of 10,000 is imposible”. However, not being a chemist, I was unaware of this widelyheld belief.

  20. Organometallic macromolecules with piano stool coordination repeating units: chain configuration and stimulated solution behaviour.

    Science.gov (United States)

    Cao, Kai; Ward, Jonathan; Amos, Ryan C; Jeong, Moon Gon; Kim, Kyoung Taek; Gauthier, Mario; Foucher, Daniel; Wang, Xiaosong

    2014-09-11

    Theoretical calculations illustrate that organometallic macromolecules with piano stool coordination repeating units (Fe-acyl complex) adopt linear chain configuration with a P-Fe-C backbone surrounded by aromatic groups. The macromolecules show molecular weight-dependent and temperature stimulated solution behaviour in DMSO.

  1. The flavonoid herbacetin diglucoside as a constituent of the lignan macromolecule from flaxseed hulls

    NARCIS (Netherlands)

    Struijs, K.; Vincken, J.P.; Verhoef, R.P.; Oostveen, van W.H.M.; Voragen, A.G.J.; Gruppen, H.

    2007-01-01

    Lignans in flaxseed are known to be part of a macromolecule in which they are connected through the linker-molecule hydroxy-methyl-glutaric acid (HMGA). In this study, the lignan macromolecule was extracted from flaxseed hulls and degraded to its monomeric constituents by complete saponification. Be

  2. Responsive inverse opal hydrogels for the sensing of macromolecules.

    Science.gov (United States)

    Couturier, Jean-Philippe; Sütterlin, Martin; Laschewsky, André; Hettrich, Cornelia; Wischerhoff, Erik

    2015-05-26

    Dual responsive inverse opal hydrogels were designed as autonomous sensor systems for (bio)macromolecules, exploiting the analyte-induced modulation of the opal's structural color. The systems that are based on oligo(ethylene glycol) macromonomers additionally incorporate comonomers with various recognition units. They combine a coil-to-globule collapse transition of the LCST type with sensitivity of the transition temperature toward molecular recognition processes. This enables the specific detection of macromolecular analytes, such as glycopolymers and proteins, by simple optical methods. While the inverse opal structure assists the effective diffusion even of large analytes into the photonic crystal, the stimulus responsiveness gives rise to strong shifts of the optical Bragg peak of more than 100 nm upon analyte binding at a given temperature. The systems' design provides a versatile platform for the development of easy-to-use, fast, and low-cost sensors for pathogens.

  3. Covalent binding of foreign chemicals to tissue macromolecules. [Acetaminophen

    Energy Technology Data Exchange (ETDEWEB)

    Thorgeirsson, S.S.; Wirth, P.J.

    1977-03-01

    In vivo and in vitro covalent binding of foreign chemicals to tissue macromolecules via metabolic activation is described, using the analgesic acetaminophen as an example. Acetaminophen is metabolized through a variety of pathways. The arylating metabolite is formed by a cytochrome P-450 dependent N-hydroxylation process. The resulting hydroxamic acid is then conjugated with glutathione, and the resulting conjugate is subsequently excreted as the mercapturic acid in the urine. It is not until the glutathione concentration is reduced to about 20% of the initial concentration that covalent binding of acetaminophen to amino acids of proteins occurs and subsequent liver necrosis is seen. The extent of in vitro binding correlates with treatments that alter hepatic necrosis and in vivo binding, indicating that in vitro binding is a valid index of acetaminophen hepatotoxicity. A simple bacterial test system for detecting chemical carcinogens as mutagens is described.

  4. Novel macromolecules derived from coumarin: synthesis and antioxidant activity

    Science.gov (United States)

    Al-Amiery, Ahmed A.; Al-Majedy, Yasameen K.; Kadhum, Abdul Amir H.; Mohamad, Abu Bakar

    2015-07-01

    The rational design of 4-hydroxycoumarins with tailor-made antioxidant activities is required nowadays due to the wide variety of pharmacologically significant, structurally interesting of coumarins and researcher orientation toward green chemistry and natural products. A simple and unique coumarins have been achieved by reaction of 4-hydroxycoumarin with aromatic aldehyde accompanied with the creation of a macromolecules have 2-aminothiazolidin-4-one. The molecular structures of the compounds were characterized by the Fourier transformation infrared and Nuclear magnetic resonance spectroscopies, in addition to CHN analysis. The scavenging abilities of new compounds against stable DPPH radical (DPPH•) and hydrogen peroxide were done and the results show that the compounds exhibited high antioxidant activates.

  5. Surface induced self-organization of comb-like macromolecules

    Science.gov (United States)

    Popov, Konstantin I; Palyulin, Vladimir V; Möller, Martin; Khokhlov, Alexei R

    2011-01-01

    Summary We present a review of the theoretical and experimental evidence for the peculiar properties of comb copolymers, demonstrating the uniqueness of these materials among other polymer architectures. These special properties include an increase in stiffness upon increasing side-chain length, the spontaneous curvature of adsorbed combs, rod–globule transition, and specific intramolecular self-assembly. We also propose a theory of chemically heterogeneous surface nanopattern formation in ultrathin films of comblike macromolecules containing two different types (A and B) of incompatible side chains (so-called binary combs). Side chains of the binary combs are strongly adsorbed on a surface and segregated with respect to the backbone. The thickness of surface domains formed by the B side chains is controlled by the interaction with the substrate. We predict the stability of direct and inverse disc-, torus- and stripelike nanostructures. Phase diagrams of the film are constructed. PMID:22003463

  6. Controlled method of reducing electrophoretic mobility of macromolecules, particles, or cells

    Science.gov (United States)

    Vanalstine, James M. (Inventor)

    1992-01-01

    A method of reducing electrophoretic mobility of macromolecules, particles, cells, and other substances is provided which comprises interacting in a conventional electrophoretic separating procedure, the substances with a polymer-linked affinity compound comprised of a hydrophilic neutral polymer such as polyethylene glycol bound to a second component such as a hydrophobic compound, an immunocompound such as an antibody or antibody active fragment, or a ligand such as a hormone, drug, antigen, or a hapten. The reduction of electrophoretic mobility achieved is directly proportional to the concentration of the polymer-linked affinity compound employed, and such reduction can comprise up to 100 percent for particular particles and cells. The present invention is advantageous in that electrophoretic separation can now be achieved for substances whose native surface charge structure had prevented them from being separated by normal electrophoretic means. Depending on the affinity component utilized, separation can be achieved on the basis of the specific/irreversible, specific/reversible, semi-specific/reversible, relatively nonspecific/reversible, or relatively nonspecific/irreversible ligand-substance interactions.

  7. Quantum propagation of electronic excitations in macromolecules: A computationally efficient multiscale approach

    Science.gov (United States)

    Schneider, E.; a Beccara, S.; Mascherpa, F.; Faccioli, P.

    2016-07-01

    We introduce a theoretical approach to study the quantum-dissipative dynamics of electronic excitations in macromolecules, which enables to perform calculations in large systems and cover long-time intervals. All the parameters of the underlying microscopic Hamiltonian are obtained from ab initio electronic structure calculations, ensuring chemical detail. In the short-time regime, the theory is solvable using a diagrammatic perturbation theory, enabling analytic insight. To compute the time evolution of the density matrix at intermediate times, typically ≲ps , we develop a Monte Carlo algorithm free from any sign or phase problem, hence computationally efficient. Finally, the dynamics in the long-time and large-distance limit can be studied combining the microscopic calculations with renormalization group techniques to define a rigorous low-resolution effective theory. We benchmark our Monte Carlo algorithm against the results obtained in perturbation theory and using a semiclassical nonperturbative scheme. Then, we apply it to compute the intrachain charge mobility in a realistic conjugated polymer.

  8. Electronic method for autofluorography of macromolecules on two-D matrices

    Science.gov (United States)

    Davidson, Jackson B.; Case, Arthur L.

    1983-01-01

    A method for detecting, localizing, and quantifying macromolecules contained in a two-dimensional matrix is provided which employs a television-based position sensitive detection system. A molecule-containing matrix may be produced by conventional means to produce spots of light at the molecule locations which are detected by the television system. The matrix, such as a gel matrix, is exposed to an electronic camera system including an image-intensifier and secondary electron conduction camera capable of light integrating times of many minutes. A light image stored in the form of a charge image on the camera tube target is scanned by conventional television techniques, digitized, and stored in a digital memory. Intensity of any point on the image may be determined from the number at the memory address of the point. The entire image may be displayed on a television monitor for inspection and photographing or individual spots may be analyzed through selected readout of the memory locations. Compared to conventional film exposure methods, the exposure time may be reduced 100-1000 times.

  9. Supramolecular Chemistry and Mechanochemistry of Macromolecules: Recent Advances by Single-Molecule Force Spectroscopy.

    Science.gov (United States)

    Cheng, Bo; Cui, Shuxun

    2015-01-01

    Atomic force spectroscopy (AFM)-based single-molecule force spectroscopy (SMFS) was invented in the 1990s. Since then, SMFS has been developed into a powerful tool to study the inter- and intra-molecular interactions of macromolecules. Using SMFS, a number of problems in the field of supramolecular chemistry and mechanochemistry have been studied at the single-molecule level, which are not accessible by traditional ensemble characterization methods. In this review, the principles of SMFS are introduced, followed by the discussion of several problems of contemporary interest at the interface of supramolecular chemistry and mechanochemistry of macromolecules, including single-chain elasticity of macromolecules, interactions between water and macromolecules, interactions between macromolecules and solid surface, and the interactions in supramolecular polymers.

  10. Synthesis of biocontrol macromolecules by derivative of chitosan with surfactin and antifungal evaluation.

    Science.gov (United States)

    Yuan, Bo; Xu, Pei-Yuan; Zhang, Yue-Ji; Wang, Pei-Pei; Yu, Hong; Jiang, Ji-Hong

    2014-05-01

    A derivative of chitosan was prepared with chitosan and β-cyclodextrins, which was synthesized by the immobilization reaction, as a carrier to adsorb surfactin produced from Bacillus amyloliquefaciens and got biological macromolecules. The antifungal activity against three sapstain fungi by a combination of macromolecules was tested. The results showed that the macromolecules inhibited the mycelium growth of sapstain fungi Lasiodiplodia rubropurpurea, L. crassispora, and L. theobromae by about 73.22%, 76.72%, and 70.22%, respectively. The macromolecules were relatively thermally stable with more than 50% of the antifungal activity even after being held at 121°C for 30 min. Meanwhile, the activity of the macromolecules remained more than 55% at a pH value ranging from 4 to 12. The macromolecules were resistant to hydrolysis by most protein-denaturing detergents and other enzymes. The results indicated the macromolecules might provide an alternative bioresource for the bio-control of sapstain. Copyright © 2014. Published by Elsevier B.V.

  11. Transpapillary (Nipple) Delivery of Macromolecules to the Breast: Proof of Concept Study.

    Science.gov (United States)

    Dave, Kaushalkumar; Alsharif, Fahd M; Perumal, Omathanu

    2016-11-07

    Localized drug delivery to the breast can maximize drug concentration at the target site and minimize systemic drug distribution. To this end, the study explored the feasibility of delivering macromolecules to the breast through mammary papilla (nipple). The in vitro penetration of model macromolecules (inulin, dextran, ovalbumin, and bovine serum albumin) varying in molecular weight from 5 to 67 kDa was studied using excised porcine and human mammary papilla. The penetration of macromolecules decreased with increase in molecular weight. The penetration of the macromolecules was significantly higher through the mammary papilla in comparison to breast skin. In vitro penetration of the macromolecules was similar in human and porcine mammary papilla. Iontophoresis was used to enhance the transport of bovine serum albumin (BSA) through the mammary papilla. The flux and cumulative amount permeated was increased by 2- to 4-fold by iontophoresis. The macromolecules were transported through the ducts and the surrounding connective tissue in the mammary papilla. Overall, the results from this study for the first time demonstrate the feasibility of delivering macromolecules through the mammary papilla. These findings have implications for developing safe and effective localized therapeutic approaches for breast cancer.

  12. Video Screen Capture Basics

    Science.gov (United States)

    Dunbar, Laura

    2014-01-01

    This article is an introduction to video screen capture. Basic information of two software programs, QuickTime for Mac and BlueBerry Flashback Express for PC, are also discussed. Practical applications for video screen capture are given.

  13. Physical Delivery of Macromolecules using High-Aspect Ratio Nanostructured Materials.

    Science.gov (United States)

    Lee, Kunwoo; Lingampalli, Nithya; Pisano, Albert P; Murthy, Niren; So, Hongyun

    2015-10-28

    There is great need for the development of an efficient delivery method of macromolecules, including nucleic acids, proteins, and peptides, to cell cytoplasm without eliciting toxicity or changing cell behavior. High-aspect ratio nanomaterials have addressed many challenges present in conventional methods, such as cell membrane passage and endosomal degradation, and have shown the feasibility of efficient high-throughput macromolecule delivery with minimal perturbation of cells. This review describes the recent advances of in vitro and in vivo physical macromolecule delivery with high-aspect ratio nanostructured materials and summarizes the synthesis methods, material properties, relevant applications, and various potential directions.

  14. Channel-Forming Bacterial Toxins in Biosensing and Macromolecule Delivery

    Directory of Open Access Journals (Sweden)

    Philip A. Gurnev

    2014-08-01

    Full Text Available To intoxicate cells, pore-forming bacterial toxins are evolved to allow for the transmembrane traffic of different substrates, ranging from small inorganic ions to cell-specific polypeptides. Recent developments in single-channel electrical recordings, X-ray crystallography, protein engineering, and computational methods have generated a large body of knowledge about the basic principles of channel-mediated molecular transport. These discoveries provide a robust framework for expansion of the described principles and methods toward use of biological nanopores in the growing field of nanobiotechnology. This article, written for a special volume on “Intracellular Traffic and Transport of Bacterial Protein Toxins”, reviews the current state of applications of pore-forming bacterial toxins in small- and macromolecule-sensing, targeted cancer therapy, and drug delivery. We discuss the electrophysiological studies that explore molecular details of channel-facilitated protein and polymer transport across cellular membranes using both natural and foreign substrates. The review focuses on the structurally and functionally different bacterial toxins: gramicidin A of Bacillus brevis, α-hemolysin of Staphylococcus aureus, and binary toxin of Bacillus anthracis, which have found their “second life” in a variety of developing medical and technological applications.

  15. Channel-forming bacterial toxins in biosensing and macromolecule delivery.

    Science.gov (United States)

    Gurnev, Philip A; Nestorovich, Ekaterina M

    2014-08-21

    To intoxicate cells, pore-forming bacterial toxins are evolved to allow for the transmembrane traffic of different substrates, ranging from small inorganic ions to cell-specific polypeptides. Recent developments in single-channel electrical recordings, X-ray crystallography, protein engineering, and computational methods have generated a large body of knowledge about the basic principles of channel-mediated molecular transport. These discoveries provide a robust framework for expansion of the described principles and methods toward use of biological nanopores in the growing field of nanobiotechnology. This article, written for a special volume on "Intracellular Traffic and Transport of Bacterial Protein Toxins", reviews the current state of applications of pore-forming bacterial toxins in small- and macromolecule-sensing, targeted cancer therapy, and drug delivery. We discuss the electrophysiological studies that explore molecular details of channel-facilitated protein and polymer transport across cellular membranes using both natural and foreign substrates. The review focuses on the structurally and functionally different bacterial toxins: gramicidin A of Bacillus brevis, α-hemolysin of Staphylococcus aureus, and binary toxin of Bacillus anthracis, which have found their "second life" in a variety of developing medical and technological applications.

  16. Graphical Methods for Quantifying Macromolecules through Bright Field Imaging

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Hang; DeFilippis, Rosa Anna; Tlsty, Thea D.; Parvin, Bahram

    2008-08-14

    Bright ?eld imaging of biological samples stained with antibodies and/or special stains provides a rapid protocol for visualizing various macromolecules. However, this method of sample staining and imaging is rarely employed for direct quantitative analysis due to variations in sample fixations, ambiguities introduced by color composition, and the limited dynamic range of imaging instruments. We demonstrate that, through the decomposition of color signals, staining can be scored on a cell-by-cell basis. We have applied our method to Flbroblasts grown from histologically normal breast tissue biopsies obtained from two distinct populations. Initially, nuclear regions are segmented through conversion of color images into gray scale, and detection of dark elliptic features. Subsequently, the strength of staining is quanti?ed by a color decomposition model that is optimized by a graph cut algorithm. In rare cases where nuclear signal is significantly altered as a result of samplepreparation, nuclear segmentation can be validated and corrected. Finally, segmented stained patterns are associated with each nuclear region following region-based tessellation. Compared to classical non-negative matrix factorization, proposed method (i) improves color decomposition, (ii) has a better noise immunity, (iii) is more invariant to initial conditions, and (iv) has a superior computing performance

  17. Quantification of the Molecular Topology for Hierarchical Macromolecules

    Science.gov (United States)

    Beaucage, Gregory

    2009-03-01

    Hierarchical structures are often produced from ramified macromolecules such as comb, star, hyperbranched and dendritic polymers. We have recently derived a method for the description of complex molecular and nanostructural topologies based on a statistical analysis [1,2]. The method has been applied to a wide range of hierarchical materials from long chain branched polyolefins, hyperbranched polymers [3], star polymers, H-branched polymers to cyclics, biopolymers [4], and branched nanostructured aggregates. This method, when applied to neutron scattering data, yields the mole fraction of a structure involved in branching, the number of branch sites, the average branch length, and the number if inner chain segments. Further, quantitative measures of the convolution or tortuosity of the structure and the connectivity of the branching network can be made, opening a new window for our understanding of complex molecular topologies. This understanding has recently been applied to biological chain molecules to understand protein and RNA folding [4] for example as well as to aggregated, nanostructured, carbon soot. [0pt] [1] Beaucage, G, Phys. Rev. E 2004, 70, 031401. [2] Kulkarni, AS & Beaucage, G, J. Polym. Sci. Part B: Polym. Phys. 2006, 44, 1395. [3] Kulkarni, AS & Beaucage, G, Macromol. Rapid Comm. 2007, 28, 1312.?4) Beaucage, G, Biophysical J. 2008, 95, 503.

  18. The Circle of Dust: From Nanoparticles to Macromolecules and Beyond

    Science.gov (United States)

    Micelotta, E.; Jones, A.; Bocchio, M.; Cami, J.; Peeters, E.; Bernard-Salas, J.

    There is increasing observational evidence that a non-negligible fraction of the cosmic carbon is locked up into macromolecules and nanoparticles. Carbonaceous nanoparticles and Hydrogenated Amorphous Carbon (HAC) nanoparticles represent one of the main components of interstellar dust. HAC nanoparticles have been proposed as a viable carrier for the Unidentified InfraRed (UIR) bands, which dominate the mid-infrared spectrum of almost any astronomical object. Fullerene molecules C60 and C70 have been detected in various circumstellar and interstellar environments. We present some of our recent results about the evolution of such carbonaceous structures and the possible connections between each other. We show how photo-processing of HAC nanoparticles can lead to the formation of C60 and C70 in space. There the low density of the gas precludes the formation of fullerene materials following known vaporization or combustion synthesis routes, even on astronomical timescales. We then discuss the processing of small hydrocarbon dust by energetic ions and electrons under extreme conditions, e.g., in shocked regions. Finally, we derive the astrophysical implications of such processing in terms of the observed emission.

  19. COMPUTATIONAL METHODS FOR STUDYING THE INTERACTION BETWEEN POLYCYCLIC AROMATIC HYDROCARBONS AND BIOLOGICAL MACROMOLECULES

    Science.gov (United States)

    Computational Methods for Studying the Interaction between Polycyclic Aromatic Hydrocarbons and Biological Macromolecules .The mechanisms for the processes that result in significant biological activity of PAHs depend on the interaction of these molecules or their metabol...

  20. Electric Birefringence: A Simple Apparatus for Determining Physical Parameters of Macromolecules and Colloids.

    Science.gov (United States)

    Trimm, Harold H.; And Others

    1984-01-01

    Describes a birefringence apparatus that can be assembled for less than $100 and can be used to measure both the dimensions and dipole moments of many macromolecules. Details are given of the construction and manipulation of the apparatus. (JN)

  1. Development of modified release gliclazide biological macromolecules using natural biodegradable polymers.

    Science.gov (United States)

    Prajapati, Vipulkumar D; Mashru, Krupa H; Solanki, Himanshu K; Jani, Girish K

    2013-04-01

    Modified release biological macromolecules (beads) of gliclazide using sodium alginate combined with either gellan gum or pectin in different ratios were prepared by Ionotropic gelation method. Biological macromolecules were evaluated for different physico-chemical parameters. Increase in polymers proportion showed difficulty in production of biological macromolecules due to high viscosity of dispersion. As the polymer concentration increases, the swelling and entrapment efficiency of drug increased. Compared to all other batches and commercial modified release gliclazide tablet, formulated biological macromolecules of sodium alginate with pectin (2:1 ratio) and with gellan gum (6:0.75 ratio) exhibited spherical shape, biphasic in vitro release profile and initial high drug release followed by moderate release up to 12 h as matrix diffusion kinetics and Higuchi model as well as Korsmeyer model. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Insights and Lessons from a Scientific Conference on Non-Invasive Delivery of Macromolecules.

    Science.gov (United States)

    Savla, Ronak; Mrsny, Randall J; Park, Kinam; Aubert, Isabelle; Stamoran, Cornell

    2017-06-01

    A growing share of the pharmaceutical development pipeline is occupied by macromolecule drugs, which are primarily administered by injection. Despite decades of attempts, non-invasive delivery of macromolecules has seen only a few success stories. Potential benefits of non-invasive administration include better patient acceptance and adherence and potentially better efficacy and safety. Greater inter-disciplinary dialogue and collaboration are integral to realizing these benefits.

  3. Sub-terahertz resonance spectroscopy of biological macromolecules and cells

    Science.gov (United States)

    Globus, Tatiana; Moyer, Aaron; Gelmont, Boris; Khromova, Tatyana; Sizov, Igor; Ferrance, Jerome

    2013-05-01

    Recently we introduced a Sub-THz spectroscopic system for characterizing vibrational resonance features from biological materials. This new, continuous-wave, frequency-domain spectroscopic sensor operates at room temperature between 315 and 480 GHz with spectral resolution of at least 1 GHz and utilizes the source and detector components from Virginia Diode, Inc. In this work we present experimental results and interpretation of spectroscopic signatures from bacterial cells and their biological macromolecule structural components. Transmission and absorption spectra of the bacterial protein thioredoxin, DNA and lyophilized cells of Escherichia coli (E. coli), as well as spores of Bacillus subtillis and B. atrophaeus have been characterized. Experimental results for biomolecules are compared with absorption spectra calculated using molecular dynamics simulation, and confirm the underlying physics for resonance spectroscopy based on interactions between THz radiation and vibrational modes or groups of modes of atomic motions. Such interactions result in multiple intense and narrow specific resonances in transmission/absorption spectra from nano-gram samples with spectral line widths as small as 3 GHz. The results of this study indicate diverse relaxation dynamic mechanisms relevant to sub-THz vibrational spectroscopy, including long-lasting processes. We demonstrate that high sensitivity in resolved specific absorption fingerprints provides conditions for reliable detection, identification and discrimination capability, to the level of strains of the same bacteria, and for monitoring interactions between biomaterials and reagents in near real-time. Additionally, it creates the basis for the development of new types of advanced biological sensors through integrating the developed system with a microfluidic platform for biomaterial samples.

  4. The flavonoid herbacetin diglucoside as a constituent of the lignan macromolecule from flaxseed hulls.

    Science.gov (United States)

    Struijs, Karin; Vincken, Jean-Paul; Verhoef, René; van Oostveen-van Casteren, Willemiek H M; Voragen, Alphons G J; Gruppen, Harry

    2007-04-01

    Lignans in flaxseed are known to be part of a macromolecule in which they are connected through the linker-molecule hydroxy-methyl-glutaric acid (HMGA). In this study, the lignan macromolecule was extracted from flaxseed hulls and degraded to its monomeric constituents by complete saponification. Besides secoisolariciresinol diglucoside (SDG), the phenolic compounds p-coumaric acid glucoside (CouAG) and ferulic acid glucoside (FeAG) were isolated, which was expected based on indications from the literature. Also the flavonoid herbacetin diglucoside (HDG) was found. The presence of HDG was confirmed by NMR following preparative RP-HPLC purification. Also the presence of the three other constituents (CouAG, FeAG and SDG) was confirmed by NMR. To prove that HDG is a substructure of the lignan macromolecule, the macromolecule was fragmented by partial saponification. A fragment consisting of HDG and HMGA was indicated. This fragment was isolated by preparative RP-HPLC and its identity was confirmed by NMR. It is concluded that the flavonoid HDG is a substructure of the lignan macromolecule from flaxseed hulls and that it is incorporated in the macromolecule via the same linker-molecule as SDG.

  5. PlaMoM: a comprehensive database compiles plant mobile macromolecules

    Science.gov (United States)

    Guan, Daogang; Yan, Bin; Thieme, Christoph; Hua, Jingmin; Zhu, Hailong; Boheler, Kenneth R.; Zhao, Zhongying; Kragler, Friedrich; Xia, Yiji; Zhang, Shoudong

    2017-01-01

    In plants, various phloem-mobile macromolecules including noncoding RNAs, mRNAs and proteins are suggested to act as important long-distance signals in regulating crucial physiological and morphological transition processes such as flowering, plant growth and stress responses. Given recent advances in high-throughput sequencing technologies, numerous mobile macromolecules have been identified in diverse plant species from different plant families. However, most of the identified mobile macromolecules are not annotated in current versions of species-specific databases and are only available as non-searchable datasheets. To facilitate study of the mobile signaling macromolecules, we compiled the PlaMoM (Plant Mobile Macromolecules) database, a resource that provides convenient and interactive search tools allowing users to retrieve, to analyze and also to predict mobile RNAs/proteins. Each entry in the PlaMoM contains detailed information such as nucleotide/amino acid sequences, ortholog partners, related experiments, gene functions and literature. For the model plant Arabidopsis thaliana, protein–protein interactions of mobile transcripts are presented as interactive molecular networks. Furthermore, PlaMoM provides a built-in tool to identify potential RNA mobility signals such as tRNA-like structures. The current version of PlaMoM compiles a total of 17 991 mobile macromolecules from 14 plant species/ecotypes from published data and literature. PlaMoM is available at http://www.systembioinfo.org/plamom/. PMID:27924044

  6. Longitudinal capture in the radio-frequency-quadrupole structure

    Energy Technology Data Exchange (ETDEWEB)

    Inagaki, S.

    1980-03-01

    The radio-frequency-quadrupole (RFQ) linac structure not only can attain easily transverse focusing in the low-beta region, but also can obtain very high capture efficiency because of its low beta-lambda and low-particle rigidity. An optimization study of the zero space-charge longitudinal capture in an RFQ linac that yields configurations with large capture efficiency is described.

  7. Neutron Capture Nucleosynthesis

    CERN Document Server

    Kiss, Miklos

    2016-01-01

    Heavy elements (beyond iron) are formed in neutron capture nucleosynthesis processes. We have proposed a simple unified model to investigate the neutron capture nucleosynthesis in arbitrary neutron density environment. We have also investigated what neutron density is required to reproduce the measured abundance of nuclei assuming equilibrium processes. We found both of these that the medium neutron density has a particularly important role at neutron capture nucleosynthesis. About these results most of the nuclei can formed at medium neutron capture density environment e.g. in some kind of AGB stars. Besides these observations our model is capable to use educational purpose.

  8. Capture ready study

    Energy Technology Data Exchange (ETDEWEB)

    Minchener, A.

    2007-07-15

    There are a large number of ways in which the capture of carbon as carbon dioxide (CO{sub 2}) can be integrated into fossil fuel power stations, most being applicable for both gas and coal feedstocks. To add to the choice of technology is the question of whether an existing plant should be retrofitted for capture, or whether it is more attractive to build totally new. This miscellany of choices adds considerably to the commercial risk of investing in a large power station. An intermediate stage between the non-capture and full capture state would be advantageous in helping to determine the best way forward and hence reduce those risks. In recent years the term 'carbon capture ready' or 'capture ready' has been coined to describe such an intermediate stage plant and is now widely used. However a detailed and all-encompassing definition of this term has never been published. All fossil fuel consuming plant produce a carbon dioxide gas byproduct. There is a possibility of scrubbing it with an appropriate CO{sub 2} solvent. Hence it could be said that all fossil fuel plant is in a condition for removal of its CO{sub 2} effluent and therefore already in a 'capture ready' state. Evidently, the practical reality of solvent scrubbing could cost more than the rewards offered by such as the ETS (European Trading Scheme). In which case, it can be said that although the possibility exists of capturing CO{sub 2}, it is not a commercially viable option and therefore the plant could not be described as ready for CO{sub 2} capture. The boundary between a capture ready and a non-capture ready condition using this definition cannot be determined in an objective and therefore universally acceptable way and criteria must be found which are less onerous and less potentially contentious to assess. 16 refs., 2 annexes.

  9. Macromolecule simulation and CH4 adsorption mechanism of coal vitrinite

    Science.gov (United States)

    Yu, Song; Yan-ming, Zhu; Wu, Li

    2017-02-01

    The microscopic mechanism of interactions between CH4 and coal macromolecules is of significant practical and theoretical importance in CBM development and methane storage. Under periodic boundary conditions, the optimal energy configuration of coal vitrinite, which has a higher torsion degree and tighter arrangement, can be determined by the calculation of molecular mechanics (MM) and molecular dynamics (MD), and annealing kinetics simulation based on ultimate analysis, 13C NMR, FT IR and HRTEM. Macromolecular stabilization is primarily due to the van der Waals energy and covalent bond energy, mainly consisting of bond torsion energy and bond angle energy. Using the optimal configuration as the adsorbent, GCMC simulation of vitrinite adsorption of CH4 is conducted. A saturated state is reached after absorbing 17 CH4s per coal vitrinite molecule. CH4 is preferentially adsorbed on the edge, and inclined to gathering around the branched chains of the inner vitrinite sites. Finally, the adsorption parameters are calculated through first principle DFT. The adsorbability order is as follows: aromatic structure> heteroatom rings > oxygen functional groups. The adsorption energy order is as follows: Top < Bond < Center, Up < Down. The order of average RDF better reflects the adsorption ability and that of [-COOH] is lower than those of [sbnd Cdbnd O] and [Csbnd Osbnd C]. CH4 distributed in the distance of 0.99-16 Å to functional groups in the type of monolayer adsorption and the average distance order manifest as [sbnd Cdbnd O] (1.64 Å) < [Csbnd Osbnd C] (1.89 Å) < [sbnd COOH] (3.78 Å) < [-CH3] (4.11 Å) according to the average RDF curves. CH4 enriches around [sbnd Cdbnd O] and [Csbnd O-C] whereas is rather dispersed about [-COOH] and [CH3]. Simulation and experiment data are both in strong agreement with the Langmuir and D-A isothermal adsorption model and the D-A model fit better than Langmuir model. Preferential adsorption sites and orientations in vitrinite are

  10. CAPTURED India Country Evaluation

    NARCIS (Netherlands)

    O'Donoghue, R.; Brouwers, J.H.A.M.

    2012-01-01

    This report provides the findings of the India Country Evaluation and is produced as part of the overall CAPTURED End Evaluation. After five years of support by the CAPTURED project the End Evaluation has assessed that results are commendable. I-AIM was able to design an approach in which health fol

  11. Carbon Capture and Storage

    NARCIS (Netherlands)

    Benson, S.M.; Bennaceur, K.; Cook, P.; Davison, J.; Coninck, H. de; Farhat, K.; Ramirez, C.A.; Simbeck, D.; Surles, T.; Verma, P.; Wright, I.

    2012-01-01

    Emissions of carbon dioxide, the most important long-lived anthropogenic greenhouse gas, can be reduced by Carbon Capture and Storage (CCS). CCS involves the integration of four elements: CO 2 capture, compression of the CO2 from a gas to a liquid or a denser gas, transportation of pressurized CO 2

  12. Carbon Capture and Storage

    NARCIS (Netherlands)

    Benson, S.M.; Bennaceur, K.; Cook, P.; Davison, J.; Coninck, H. de; Farhat, K.; Ramirez, C.A.; Simbeck, D.; Surles, T.; Verma, P.; Wright, I.

    2012-01-01

    Emissions of carbon dioxide, the most important long-lived anthropogenic greenhouse gas, can be reduced by Carbon Capture and Storage (CCS). CCS involves the integration of four elements: CO 2 capture, compression of the CO2 from a gas to a liquid or a denser gas, transportation of pressurized CO 2

  13. CAPTURED India Country Evaluation

    NARCIS (Netherlands)

    O'Donoghue, R.; Brouwers, J.H.A.M.

    2012-01-01

    This report provides the findings of the India Country Evaluation and is produced as part of the overall CAPTURED End Evaluation. After five years of support by the CAPTURED project the End Evaluation has assessed that results are commendable. I-AIM was able to design an approach in which health

  14. Regulation of synaptic vesicle docking by different classes of macromolecules in active zone material.

    Science.gov (United States)

    Szule, Joseph A; Harlow, Mark L; Jung, Jae Hoon; De-Miguel, Francisco F; Marshall, Robert M; McMahan, Uel J

    2012-01-01

    The docking of synaptic vesicles at active zones on the presynaptic plasma membrane of axon terminals is essential for their fusion with the membrane and exocytosis of their neurotransmitter to mediate synaptic impulse transmission. Dense networks of macromolecules, called active zone material, (AZM) are attached to the presynaptic membrane next to docked vesicles. Electron tomography has shown that some AZM macromolecules are connected to docked vesicles, leading to the suggestion that AZM is somehow involved in the docking process. We used electron tomography on the simply arranged active zones at frog neuromuscular junctions to characterize the connections of AZM to docked synaptic vesicles and to search for the establishment of such connections during vesicle docking. We show that each docked vesicle is connected to 10-15 AZM macromolecules, which fall into four classes based on several criteria including their position relative to the presynaptic membrane. In activated axon terminals fixed during replacement of docked vesicles by previously undocked vesicles, undocked vesicles near vacated docking sites on the presynaptic membrane have connections to the same classes of AZM macromolecules that are connected to docked vesicles in resting terminals. The number of classes and the total number of macromolecules to which the undocked vesicles are connected are inversely proportional to the vesicles' distance from the presynaptic membrane. We conclude that vesicle movement toward and maintenance at docking sites on the presynaptic membrane are directed by an orderly succession of stable interactions between the vesicles and distinct classes of AZM macromolecules positioned at different distances from the membrane. Establishing the number, arrangement and sequence of association of AZM macromolecules involved in vesicle docking provides an anatomical basis for testing and extending concepts of docking mechanisms provided by biochemistry.

  15. Nanocapillary electrokinetic tracking for monitoring charge fluctuations on a single nanoparticle

    NARCIS (Netherlands)

    Faez, Sanli; Samin, Sela; Baasanjav, Dashdeleg; Weidlich, Stefan; Schmidt, Markus; Mosk, Allard P.

    2016-01-01

    We introduce nanoCapillary Electrokinetic Tracking (nanoCET), an optofluidic platform for continuously measuring the electrophoretic mobility of a single colloidal nanoparticle or macromolecule in vitro with millisecond time resolution and high charge sensitivity. This platform is based on using a

  16. Methods and compositions for targeting macromolecules into the nucleus

    Science.gov (United States)

    Chook, Yuh Min

    2013-06-25

    The present invention includes compositions, methods and kits for directing an agent across the nuclear membrane of a cell. The present invention includes a Karyopherin beta2 translocation motif in a polypeptide having a slightly positively charged region or a slightly hydrophobic region and one or more R/K/H-X.sub.(2-5)-P-Y motifs. The polypeptide targets the agent into the cell nucleus.

  17. Assessment of permeability barriers to macromolecules in the rodent endometrium at the onset of implantation.

    Science.gov (United States)

    Bany, Brent M; Hamilton, G Scot

    2011-01-01

    In rodents, embryo implantation is an invasive process, which begins with its attachment to the uterine wall and culminates in the formation of the definitive placenta several days later. It is critical that the endometrium provide a supportive environment for the implanting embryo during this process, as the placenta is not yet established. The concept of changing permeability barriers to macromolecules between different extracellular compartments in the rodent uterus at the onset of implantation has been established. This chapter provides protocols that can be used to assess this changing permeability barrier and the associated redistribution of macromolecules during the early phases of implantation in rodents. An increased permeability of the endometrial vasculature to plasma proteins occurs in areas adjacent to the implanting blastocyst. In addition, alterations in the extracellular matrix enhance the accumulation of fluid and extravasated macromolecules. We describe several protocols proven to be effective in studying and quantifying early vascular and extravascular responses to natural and artificial "implantation stimuli." The first three protocols represent qualitative and quantitative methods to assess the early endometrial "vascular permeability" response. On the contrary, the fourth protocol addresses the onset of decidualization and the arising permeability barrier, which restricts the movement of macromolecules through the extracellular space. This barrier is believed to provide transient protection for the implanting embryo against potentially harmful maternal serum proteins. This protocol describes assessment of resistance of the primary decidual zone to the movement of macromolecules across the compartments of the extracellular space.

  18. Active macromolecules of honey form colloidal particles essential for honey antibacterial activity and hydrogen peroxide production.

    Science.gov (United States)

    Brudzynski, Katrina; Miotto, Danielle; Kim, Linda; Sjaarda, Calvin; Maldonado-Alvarez, Liset; Fukś, Henryk

    2017-08-09

    Little is known about the global structure of honey and the arrangement of its main macromolecules. We hypothesized that the conditions in ripened honeys resemble macromolecular crowding in the cell and affect the concentration, reactivity, and conformation of honey macromolecules. Combined results from UV spectroscopy, DLS and SEM showed that the concentration of macromolecules was a determining factor in honey structure. The UV spectral scans in 200-400 nm visualized and allowed quantification of UV-absorbing compounds in the following order: dark > medium > light honeys (p macromolecules promoted their self-assembly to micron-size superstructures, visible in SEM as two-phase system consisting of dense globules distributed in sugar solution. These particles showed increased conformational stability upon dilution. At the threshold concentration, the system underwent phase transition with concomitant fragmentation of large micron-size particles to nanoparticles in hierarchical order. Honey two-phase conformation was an essential requirement for antibacterial activity and hydrogen peroxide production. These activities disappeared beyond the phase transition point. The realization that active macromolecules of honey are arranged into compact, stable multicomponent assemblies with colloidal properties reframes our view on global structure of honey and emerges as a key property to be considered in investigating its biological activity.

  19. Receptor-mediated endocytosis of macromolecules and strategy to enhance their transport in alveolar epithelial cells.

    Science.gov (United States)

    Takano, Mikihisa; Kawami, Masashi; Aoki, Ayako; Yumoto, Ryoko

    2015-05-01

    Pulmonary delivery is an attractive administration route for therapeutic proteins and peptides. In this context, endocytosis/transcytosis at the distal lung epithelial barrier is an important process in the pulmonary absorption of therapeutic macromolecules. The alveolar epithelium is comprised of type I and type II cells. Understanding the transport mechanisms in these cells is essential for the development of efficient pulmonary delivery systems of therapeutic macromolecules. Endocytic pathways for albumin and insulin in alveolar epithelial cells and possible receptors for the endocytosis are discussed. Strategies to enhance the endocytosis and pulmonary absorption of macromolecules are also discussed, by focusing on the effects of cationic poly(amino acid)s. Although the surface area occupied by type II cells in alveoli is much smaller than that covered by type I cells, type II cells may significantly contribute to the endocytosis/transcytosis of macromolecules such as albumin. Identification of the receptors involved in the cellular uptake of each macromolecule is prerequisite for the understanding and regulation of its transport into and across alveolar epithelial cells. Establishment of novel in-vitro culture cell models of type I and type II cells would be a great help for the future advance of this research field.

  20. Locust bean gum in the development of sustained release mucoadhesive macromolecules of aceclofenac.

    Science.gov (United States)

    Prajapati, Vipul D; Jani, Girish K; Moradiya, Naresh G; Randeria, Narayan P; Maheriya, Pankaj M; Nagar, Bhanu J

    2014-11-26

    The study shows the development and optimization of locust bean gum (LBG)-alginate mucoadhesive macromolecules containing aceclofenac through ionotropic-gelation using 3(2) factorial design. The effect of amount of LBG and sodium alginate on drug entrapment efficiency (%DEE), % mucoadhesion at 8h (M8) and % in vitro drug release at 10h (%Q10h) were optimized. The percentage yield, average size and DEE of macromolecules were found within the range of 93.19 to 96.65%, 1.328 ± 0.11 to 1.428 ± 0.13 μm, and 56.37 to 68.54%, respectively. The macromolecules were also characterized by SEM, FTIR and DSC. The in vitro drug release from these macromolecules (84.95 ± 2.02 to 95.33 ± 1.56% at 10h) exhibited sustained release (first-order) pattern with super case-II transport mechanism. The swelling and mucoadhesivity of these macromolecules were affected by pH of the medium. The design established the role of derived polynomial equations and plots in predicting the values of dependent variables for the preparation and optimization. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. Mechanoporation of living cells for delivery of macromolecules using nanoneedle array.

    Science.gov (United States)

    Matsumoto, Daisuke; Yamagishi, Ayana; Saito, Megumi; Sathuluri, Ramachandra Rao; Silberberg, Yaron R; Iwata, Futoshi; Kobayashi, Takeshi; Nakamura, Chikashi

    2016-12-01

    Efficient and rapid delivery of macromolecule probes, such as quenchbodies and other large biomarkers that cannot readily pass through the plasma membrane, is necessary for live-cell imaging and other intracellular analyses. We present here an alternative, simple method for delivery of macromolecules into live cells. In this method, which we term here mechanoporation, a nanoneedle array is used for making transient pores in the plasma membrane to allow access of desired macromolecules into thousands of live cells, simultaneously. This rapid, 3-step method facilitates an efficient delivery by adding macromolecules into the medium, inserting nanoneedles into the cells and oscillating the nanoneedle array, a process that takes no more than 5 min in total. In addition, we demonstrate here how this method can repeatedly and reproducibly deliver molecules into specifically-selected locations on a given cell culture dish. The results presented here show how this unique mechanoporation method enables rapid and high-throughput bio-macromolecule delivery and live-cell imaging. Copyright © 2016 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  2. Layered solid sorbents for carbon dioxide capture

    Science.gov (United States)

    Li, Bingyun; Jiang, Bingbing; Gray, McMahan L; Fauth, Daniel J; Pennline, Henry W; Richards, George A

    2013-02-25

    A solid sorbent for the capture and the transport of carbon dioxide gas is provided having at least one first layer of a positively charged material that is polyethylenimine or poly(allylamine hydrochloride), that captures at least a portion of the gas, and at least one second layer of a negatively charged material that is polystyrenesulfonate or poly(acryclic acid), that transports the gas, wherein the second layer of material is in juxtaposition to, attached to, or crosslinked with the first layer for forming at least one bilayer, and a solid substrate support having a porous surface, wherein one or more of the bilayers is/are deposited on the surface of and/or within the solid substrate. A method of preparing and using the solid sorbent is provided.

  3. CHARGE syndrome

    Directory of Open Access Journals (Sweden)

    Prasad Chitra

    2006-09-01

    Full Text Available Abstract CHARGE syndrome was initially defined as a non-random association of anomalies (Coloboma, Heart defect, Atresia choanae, Retarded growth and development, Genital hypoplasia, Ear anomalies/deafness. In 1998, an expert group defined the major (the classical 4C's: Choanal atresia, Coloboma, Characteristic ears and Cranial nerve anomalies and minor criteria of CHARGE syndrome. Individuals with all four major characteristics or three major and three minor characteristics are highly likely to have CHARGE syndrome. However, there have been individuals genetically identified with CHARGE syndrome without the classical choanal atresia and coloboma. The reported incidence of CHARGE syndrome ranges from 0.1–1.2/10,000 and depends on professional recognition. Coloboma mainly affects the retina. Major and minor congenital heart defects (the commonest cyanotic heart defect is tetralogy of Fallot occur in 75–80% of patients. Choanal atresia may be membranous or bony; bilateral or unilateral. Mental retardation is variable with intelligence quotients (IQ ranging from normal to profound retardation. Under-development of the external genitalia is a common finding in males but it is less apparent in females. Ear abnormalities include a classical finding of unusually shaped ears and hearing loss (conductive and/or nerve deafness that ranges from mild to severe deafness. Multiple cranial nerve dysfunctions are common. A behavioral phenotype for CHARGE syndrome is emerging. Mutations in the CHD7 gene (member of the chromodomain helicase DNA protein family are detected in over 75% of patients with CHARGE syndrome. Children with CHARGE syndrome require intensive medical management as well as numerous surgical interventions. They also need multidisciplinary follow up. Some of the hidden issues of CHARGE syndrome are often forgotten, one being the feeding adaptation of these children, which needs an early aggressive approach from a feeding team. As the child

  4. Quantum crystallographic charge density of urea

    OpenAIRE

    Wall, Michael E.

    2015-01-01

    Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crys...

  5. Charged colloids, polyelectrolytes and biomolecules viewed as strongly coupled Coulomb systems

    CERN Document Server

    Löwen, H; Likos, C N; Blaak, R; Dzubiella, J; Jusufi, A; Hoffmann, N; Harreis, H M

    2003-01-01

    A brief review is given on recent studies of charged soft matter solutions, as modelled by the 'primitive' approach of strongly coupled Coulomb systems, where the solvent just enters as a dielectric background. These include charged colloids, biological macromolecules such as proteins and DNA, polyelectrolytes and polyelectrolyte stars. Also some original results are presented on colloid-polyelectrolyte complex formation near walls and on the anomalous fluid structure of polyelectrolyte stars as a function of increasing concentration.

  6. Marine turtle capture data

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — To estimate abundance, growth, and survival rate and to collect tissue samples, marine turtles are captured at nesting beaches and foraging grounds through various...

  7. Preparing to Capture Carbon

    National Research Council Canada - National Science Library

    Daniel P. Schrag

    2007-01-01

    .... Scientific and economic challenges still exist, but none are serious enough to suggest that carbon capture and storage will not work at the scale required to offset trillions of tons of carbon...

  8. Investigation of the optical properties of novel organic macromolecules for solar cell applications

    Science.gov (United States)

    Adegoke, Oluwasegun Oluwasina

    The search for renewable energy sources to replace fossil fuel has been a major research focus in the energy sector. The sun, with its vast amount of energy, remains the most abundant and ubiquitous energy source that far exceeds the world energy demand. The ability to effectively capture and convert energy from the sun in the form of photons will be the key to its effective utilization. Organic macromolecules have tremendous potentials to replace and out-perform existing materials, due to their low-cost, ease of tunability, high absorption coefficient and "green" nature. In this dissertation, spectroscopic techniques of steady state absorption and time-resolved fluorescence spectroscopy were used to show the improved absorption of the oligothiophene-functionalized ZnPc through ultrafast energy transfer. ZnPc is known for its chemical and thermal stability. The power conversion efficiency (PCE) in ZnPc-based solar devices is however, very low because of the poor absorption of ZnPc in the 300 - 550 nm region of the solar spectrum. Oligothiophenes have good absorption in the spectral region where the absorption of ZnPc is poor. Other groups of organic compounds that have gained prominence in the study for the design of efficient active materials for photovoltaic cells are the polymers. In the dissertation, different factors which can affect the performance of organic polymers in photovoltaics systems were investigated and analyzed. The effects of the alteration of conjugation, donor-acceptor groups, heteroatoms and alkyl side chains on the photophysical properties and ultimately the performance of organic polymers in organic photovoltaics were investigated. The different effects were investigated using ultrafast spectroscopic techniques which are capable of providing insight of fluorescence decay dynamics at very short times in a time scale of femtosecond. The electronic structure calculations of the polymers were carried out to provide further evidence to the

  9. The effect of composition on diffusion of macromolecules in a crowded environment.

    Science.gov (United States)

    Kondrat, Svyatoslav; Zimmermann, Olav; Wiechert, Wolfgang; von Lieres, Eric

    2015-05-28

    We study diffusion of macromolecules in a crowded cytoplasm-like environment, focusing on its dependence on composition and its crossover to the anomalous subdiffusion. The crossover and the diffusion itself depend on both the volume fraction and the relative concentration of macromolecules. In accordance with previous theoretical and experimental studies, diffusion slows down when the volume fraction increases. Contrary to expectations, however, the diffusion is also strongly dependent on the molecular composition. The crossover time decreases and diffusion slows down when the smaller macromolecules start to dominate. Interestingly, diffusion is faster in a cytoplasm-like (more polydisperse) system than it is in a two-component system, at comparable packing fractions, or even when the cytoplasm packing fraction is larger.

  10. Anisotropic diffusion of macromolecules in the contiguous nucleocytoplasmic fluid during eukaryotic cell division.

    Science.gov (United States)

    Pawar, Nisha; Donth, Claudia; Weiss, Matthias

    2014-08-18

    Character and rapidity of protein diffusion in intracellular fluids are key determinants of the dynamics and steady state of a plethora of biochemical reactions. So far, an anomalous diffusion in cytoplasmic fluids with viscoelastic and even glassy characteristics has been reported in a variety of organisms on several length scales and timescales. Here, we show that the contiguous fluid of former cytoplasm and nucleoplasm features an anisotropically varying diffusion of macromolecules during eukaryotic cell division. In metaphase, diffusion in the contiguous nucleocytoplasmic fluid appears less anomalous along the spindle axis as compared to perpendicular directions. As a consequence, the long-time diffusion of macromolecules preferentially points along the spindle axis, leading to prolonged residence of macromolecules in the spindle region. Based on our experimental data, we suggest that anisotropic diffusion facilitates the encounter and interaction of spindle-associated proteins, e.g., during the formation of a dynamic spindle matrix. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. Scalable synthesis of sequence-defined, unimolecular macromolecules by Flow-IEG.

    Science.gov (United States)

    Leibfarth, Frank A; Johnson, Jeremiah A; Jamison, Timothy F

    2015-08-25

    We report a semiautomated synthesis of sequence and architecturally defined, unimolecular macromolecules through a marriage of multistep flow synthesis and iterative exponential growth (Flow-IEG). The Flow-IEG system performs three reactions and an in-line purification in a total residence time of under 10 min, effectively doubling the molecular weight of an oligomeric species in an uninterrupted reaction sequence. Further iterations using the Flow-IEG system enable an exponential increase in molecular weight. Incorporating a variety of monomer structures and branching units provides control over polymer sequence and architecture. The synthesis of a uniform macromolecule with a molecular weight of 4,023 g/mol is demonstrated. The user-friendly nature, scalability, and modularity of Flow-IEG provide a general strategy for the automated synthesis of sequence-defined, unimolecular macromolecules. Flow-IEG is thus an enabling tool for theory validation, structure-property studies, and advanced applications in biotechnology and materials science.

  12. Improved microchip design and application for in situ transmission electron microscopy of macromolecules.

    Science.gov (United States)

    Dukes, Madeline J; Thomas, Rebecca; Damiano, John; Klein, Kate L; Balasubramaniam, Sharavanan; Kayandan, Sanem; Riffle, Judy S; Davis, Richey M; McDonald, Sarah M; Kelly, Deborah F

    2014-04-01

    Understanding the fundamental properties of macromolecules has enhanced the development of emerging technologies used to improve biomedical research. Currently, there is a critical need for innovative platforms that can illuminate the function of biomedical reagents in a native environment. To address this need, we have developed an in situ approach to visualize the dynamic behavior of biomedically relevant macromolecules at the nanoscale. Newly designed silicon nitride devices containing integrated "microwells" were used to enclose active macromolecular specimens in liquid for transmission electron microscopy imaging purposes.We were able to successfully examine novel magnetic resonance imaging contrast reagents, micelle suspensions, liposome carrier vehicles, and transcribing viral assemblies. With each specimen tested, the integrated microwells adequately maintained macromolecules in discrete local environments while enabling thin liquid layers to be produced.

  13. Equilibrium partitioning of macromolecules in confining geometries: Improved universality with a new molecular size parameter

    DEFF Research Database (Denmark)

    Wang, Yanwei; Peters, Günther H.J.; Hansen, Flemming Yssing

    2008-01-01

    We present a new framework for the description of macromolecules subject to confining geometries. The two main ingredients are a new computational method and the definition of a new molecular size parameter. The computational method, hereafter referred to the confinement analysis from bulk...... structures (CABS), allows the computation of equilibrium partition coefficients as a function of confinement size solely based on a single sampling of the configuration space of a macromolecule in bulk. Superior in computational speed to previous computational methods, CABS is capable of handling slits...... parameter for characterization of spatial confinement effects on macromolecules. Results for the equilibrium partition coefficient in the weak confinement regime depend only on the ratio ofR-s to the confinement size regardless of molecular details....

  14. Extracellular matrix macromolecules: potential tools and targets in cancer gene therapy.

    Science.gov (United States)

    Sainio, Annele; Järveläinen, Hannu

    2014-01-01

    Tumour cells create their own microenvironment where they closely interact with a variety of soluble and non-soluble molecules, different cells and numerous other components within the extracellular matrix (ECM). Interaction between tumour cells and the ECM is bidirectional leading to either progression or inhibition of tumourigenesis. Therefore, development of novel therapies targeted primarily to tumour microenvironment (TME) is highly rational. Here, we give a short overview of different macromolecules of the ECM and introduce mechanisms whereby they contribute to tumourigenesis within the TME. Furthermore, we present examples of individual ECM macromolecules as regulators of cell behaviour during tumourigenesis. Finally, we focus on novel strategies of using ECM macromolecules as tools or targets in cancer gene therapy in the future.

  15. Intracellular uptake of macromolecules by brain lymphatic endothelial cells during zebrafish embryonic development.

    Science.gov (United States)

    van Lessen, Max; Shibata-Germanos, Shannon; van Impel, Andreas; Hawkins, Thomas A; Rihel, Jason; Schulte-Merker, Stefan

    2017-05-12

    The lymphatic system controls fluid homeostasis and the clearance of macromolecules from interstitial compartments. In mammals brain lymphatics were only recently discovered, with significant implications for physiology and disease. We examined zebrafish for the presence of brain lymphatics and found loosely connected endothelial cells with lymphatic molecular signature covering parts of the brain without forming endothelial tubular structures. These brain lymphatic endothelial cells (BLECs) derive from venous endothelium, are distinct from macrophages, and are sensitive to loss of Vegfc. BLECs endocytose macromolecules in a selective manner, which can be blocked by injection of mannose receptor ligands. This first report on brain lymphatic endothelial cells in a vertebrate embryo identifies cells with unique features, including the uptake of macromolecules at a single cell level. Future studies will address whether this represents an uptake mechanism that is conserved in mammals and how these cells affect functions of the embryonic and adult brain.

  16. Silicification and biosilicification: The role of macromolecules in bioinspired silica synthesis

    Science.gov (United States)

    Patwardhan, Siddharth Vijay

    Diatoms, sponges and grasses are all known to produce ornate biogenic silica structures under ambient conditions. Some aspects of the molecular mechanism controlling biosilicification have recently been elucidated. The entrapment of the catalyzing/templating/scaffolding biomacromolecules enables them to be recovered by selective dissolution of biosilica. The proteins extracted from the diatom Cylindrotheca fusiformis (silaffins) and the sponge Tethya aurantia (silicateins) have been shown to precipitate silica from silica precursors in vitro. The identification of synthetic macromolecules that can act as catalysts/templates/scaffolds for silica formation gives exciting possibilities for bioinspired silica synthesis. Herein, the role of various synthetic (bio)macromolecules in silicification is studied. Attempts have also been made to understand the mechanism(s) governing (bio)macromolecule mediated (bio)silicification. Furthermore, the results and the understanding gained from various synthetic systems are used to demonstrate the potential of such bioinspired routes to develop new materials.

  17. Electron capture from coherent elliptic Rydberg states

    Energy Technology Data Exchange (ETDEWEB)

    Day, J.C.; DePaola, B.D.; Ehrenreich, T.; Hansen, S.B.; Horsdal-Pedersen, E.; Leontiev, Y.; Mogensen, K.S. [Institute of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark)

    1997-12-01

    Experimental relative cross sections for electron capture by singly charged ions (Na{sup +}) from coherent elliptic states of principal quantum number n=25 are presented. An interval of reduced impact velocities from about 1{endash}2 is covered. Absolute reaction cross sections could not be determined precisely, but the eccentricity of the coherent elliptic states and their orientation relative to the ion-impact velocity were varied to expose the dependence of the electron-capture process on the initial motion of the electron. The dependencies on eccentricity and orientation are generally strong and they vary sharply with impact velocity. Qualitatively, the observations agree fairly well with classical trajectory Monte Carlo (CTMC) calculations, as expected for the large quantum numbers involved, but significant deviations of a systematic nature do remain, showing that some aspects of the capture reactions studied are described poorly by classical physics as represented by the CTMC model. {copyright} {ital 1997} {ital The American Physical Society}

  18. Charged Leptons

    CERN Document Server

    Albrecht, J; Babu, K; Bernstein, R H; Blum, T; Brown, D N; Casey, B C K; Cheng, C -h; Cirigliano, V; Cohen, A; Deshpande, A; Dukes, E C; Echenard, B; Gaponenko, A; Glenzinski, D; Gonzalez-Alonso, M; Grancagnolo, F; Grossman, Y; Harnik, R; Hitlin, D G; Kiburg, B; Knoepfe, K; Kumar, K; Lim, G; Lu, Z -T; McKeen, D; Miller, J P; Ramsey-Musolf, M; Ray, R; Roberts, B L; Rominsky, M; Semertzidis, Y; Stoeckinger, D; Talman, R; Van De Water, R; Winter, P

    2013-01-01

    This is the report of the Intensity Frontier Charged Lepton Working Group of the 2013 Community Summer Study "Snowmass on the Mississippi", summarizing the current status and future experimental opportunities in muon and tau lepton studies and their sensitivity to new physics. These include searches for charged lepton flavor violation, measurements of magnetic and electric dipole moments, and precision measurements of the decay spectrum and parity-violating asymmetries.

  19. Global analysis of fluorescence decays to probe the internal dynamics of fluorescently labeled macromolecules.

    Science.gov (United States)

    Duhamel, Jean

    2014-03-11

    The aim of this review is to introduce the reader first to the mathematical complexity associated with the analysis of fluorescence decays acquired with solutions of macromolecules labeled with a fluorophore and its quencher that are capable of interacting with each other via photophysical processes within the macromolecular volume, second to the experimental and mathematical approaches that have been proposed over the years to handle this mathematical complexity, and third to the information that one can expect to retrieve with respect to the internal dynamics of such fluorescently labeled macromolecules. In my view, the ideal fluorophore-quencher pair to use in studying the internal dynamics of fluorescently labeled macromolecules would involve a long-lived fluorophore, a fluorophore and a quencher that do not undergo energy migration, and a photophysical process that results in a change in fluorophore emission upon contact between the excited fluorophore and quencher. Pyrene, with its ability to form an excimer on contact between excited-state and ground-state species, happens to possess all of these properties. Although the concepts described in this review apply to any fluorophore and quencher pair sharing pyrene's exceptional photophysical properties, this review focuses on the study of pyrene-labeled macromolecules that have been characterized in great detail over the past 40 years and presents the main models that are being used today to analyze the fluorescence decays of pyrene-labeled macromolecules reliably. These models are based on Birks' scheme, the DMD model, the fluorescence blob model, and the model free analysis. The review also provides a step-by-step protocol that should enable the noneducated user to achieve a successful decay analysis exempt of artifacts. Finally, some examples of studies of pyrene-labeled macromolecules are also presented to illustrate the different types of information that can be retrieved from these fluorescence decay

  20. PlaMoM: a comprehensive database compiles plant mobile macromolecules.

    Science.gov (United States)

    Guan, Daogang; Yan, Bin; Thieme, Christoph; Hua, Jingmin; Zhu, Hailong; Boheler, Kenneth R; Zhao, Zhongying; Kragler, Friedrich; Xia, Yiji; Zhang, Shoudong

    2017-01-04

    In plants, various phloem-mobile macromolecules including noncoding RNAs, mRNAs and proteins are suggested to act as important long-distance signals in regulating crucial physiological and morphological transition processes such as flowering, plant growth and stress responses. Given recent advances in high-throughput sequencing technologies, numerous mobile macromolecules have been identified in diverse plant species from different plant families. However, most of the identified mobile macromolecules are not annotated in current versions of species-specific databases and are only available as non-searchable datasheets. To facilitate study of the mobile signaling macromolecules, we compiled the PlaMoM (Plant Mobile Macromolecules) database, a resource that provides convenient and interactive search tools allowing users to retrieve, to analyze and also to predict mobile RNAs/proteins. Each entry in the PlaMoM contains detailed information such as nucleotide/amino acid sequences, ortholog partners, related experiments, gene functions and literature. For the model plant Arabidopsis thaliana, protein-protein interactions of mobile transcripts are presented as interactive molecular networks. Furthermore, PlaMoM provides a built-in tool to identify potential RNA mobility signals such as tRNA-like structures. The current version of PlaMoM compiles a total of 17 991 mobile macromolecules from 14 plant species/ecotypes from published data and literature. PlaMoM is available at http://www.systembioinfo.org/plamom/. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  1. Hydrodynamic Forces on Macromolecules Protruding from Lipid Bilayers Due to External Liquid Flows.

    Science.gov (United States)

    Jönsson, Peter; Jönsson, Bengt

    2015-11-24

    It has previously been observed that an externally applied hydrodynamic shear flow above a fluid lipid bilayer can change the local concentration of macromolecules that are associated with the lipid bilayer. The external liquid flow results in a hydrodynamic force on molecules protruding from the lipid bilayer, causing them to move in the direction of the flow. However, there has been no quantitative study about the magnitude of these forces. We here use finite element simulations to investigate how the magnitude of the external hydrodynamic forces varies with the size and shape of the studied macromolecule. The simulations show that the hydrodynamic force is proportional to the effective hydrodynamic area of the studied molecule, Ahydro, multiplied by the mean hydrodynamic shear stress acting on the membrane surface, σhydro. The parameter Ahydro depends on the size and shape of the studied macromolecule above the lipid bilayer and scales with the cross-sectional area of the molecule. We also investigate how hydrodynamic shielding from other surrounding macromolecules decreases Ahydro when the surface coverage of the shielding macromolecules increases. Experiments where the protein streptavidin is anchored to a supported lipid bilayer on the floor of a microfluidic channel were finally performed at three different surface concentrations, Φ = 1%, 6%, and 10%, where the protein is being moved relative to the lipid bilayer by a liquid flow through the channel. From photobleaching measurements of fluorescently labeled streptavidin we found the experimental drift data to be within good accuracy of the simulated results, less than 12% difference, indicating the validity of the results obtained from the simulations. In addition to giving a deeper insight into how a liquid flow can affect membrane-associated molecules in a lipid bilayer, we also see an interesting potential of using hydrodynamic flow experiments together with the obtained results to study the size and

  2. "Bio"-macromolecules: polymer-protein conjugates as emerging scaffolds for therapeutics.

    Science.gov (United States)

    Borchmann, Dorothee E; Carberry, Tom P; Weck, Marcus

    2014-01-01

    Polymer-protein conjugates are biohybrid macromolecules derived from covalently connecting synthetic polymers with polypeptides. The resulting materials combine the properties of both worlds: chemists can engineer polymers to stabilize proteins, to add functionality, or to enhance activity; whereas biochemists can exploit the specificity and complexity that Nature has bestowed upon its macromolecules. This has led to a wealth of applications, particularly within the realm of biomedicine. Polymer-protein conjugation has expanded to include scaffolds for drug delivery, tissue engineering, and microbial inhibitors. This feature article reflects upon recent developments in the field and discusses the applications of these hybrids from a biomaterials standpoint.

  3. Single molecule optical measurements of orientation and rotations of biological macromolecules

    Science.gov (United States)

    Shroder, Deborah Y.; Lippert, Lisa G.; Goldman, Yale E.

    2016-12-01

    Subdomains of macromolecules often undergo large orientation changes during their catalytic cycles that are essential for their activity. Tracking these rearrangements in real time opens a powerful window into the link between protein structure and functional output. Site-specific labeling of individual molecules with polarized optical probes and measurement of their spatial orientation can give insight into the crucial conformational changes, dynamics, and fluctuations of macromolecules. Here we describe the range of single molecule optical technologies that can extract orientation information from these probes, review the relevant types of probes and labeling techniques, and highlight the advantages and disadvantages of these technologies for addressing specific inquiries.

  4. Templated and self-limiting calcite formation directed by coccolith organic macromolecules.

    Science.gov (United States)

    Gal, Assaf; Wirth, Richard; Barkay, Zahava; Eliaz, Noam; Scheffel, André; Faivre, Damien

    2017-07-06

    The formation of intricately shaped crystalline minerals by organisms is orchestrated by specialized biomacromolecules. The macromolecules associated with coccoliths, nanometer-sized calcite crystal arrays produced by marine microalgae, can form a distinct calcium-rich phase via macromolecular recognition. Here, we show that this calcium-rich phase can be mineralized into a thin film of single-crystalline calcite by the balanced addition of carbonate ions. Such a crystallization process provides a strategy to direct crystalline products via local interactions between soluble macromolecules and compatible templates.

  5. Method for selective immobilization of macromolecules on self assembled monolayer surfaces

    Science.gov (United States)

    Laskin, Julia [Richland, WA; Wang, Peng [Billerica, MA

    2011-11-29

    Disclosed is a method for selective chemical binding and immobilization of macromolecules on solid supports in conjunction with self-assembled monolayer (SAM) surfaces. Immobilization involves selective binding of peptides and other macromolecules to SAM surfaces using reactive landing (RL) of mass-selected, gas phase ions. SAM surfaces provide a simple and convenient platform for tailoring chemical properties of a variety of substrates. The invention finds applications in biochemistry ranging from characterization of molecular recognition events at the amino acid level and identification of biologically active motifs in proteins, to development of novel biosensors and substrates for stimulated protein and cell adhesion.

  6. Click chemistry approach to functionalize two-dimensional macromolecules of graphene oxide nanosheets

    Institute of Scientific and Technical Information of China (English)

    Liang Kou; Hongkun He; Chao Gao

    2010-01-01

    A facile “click chemistry” approach to functionalize 2D macromolecules of graphene oxide nanosheets with poly (ethylene glycol) of different molecular weights, polystyrene, palmitic acid and various amino acids was presented. FTIR, TGA, Raman spectroscopy, XPS, XRD, TEM, AFM and SEM were utilized to characterize the products. High degree of functionalization was achieved on the flat surfaces of graphene oxide, affording polymer-grafted 2D brushes and amino acids-immobilized nanosheets, which show improved solubility in organic solvents. The click chemistry strategy reported herein provides a facile and general method for functionalization of graphene oxide with macromolecules and desired biomolecules.

  7. A new bead-spring model for simulation of semi-flexible macromolecules

    Science.gov (United States)

    Saadat, Amir; Khomami, Bamin

    2016-11-01

    A bead-spring model for semi-flexible macromolecules is developed to overcome the deficiencies of the current coarse-grained bead-spring models. Specifically, model improvements are achieved through incorporation of a bending potential. The new model is designed to accurately describe the correlation along the backbone of the chain, segmental length, and force-extension behavior of the macromolecule even at the limit of 1 Kuhn step per spring. The relaxation time of different Rouse modes is used to demonstrate the capabilities of the new model in predicting chain dynamics.

  8. Carbohydrate-Derived Amphiphilic Macromolecules: A Biophysical Structural Characterization and Analysis of Binding Behaviors to Model Membranes

    Science.gov (United States)

    Martin, Adriana A. T.; Tomasini, Michael; Kholodovych, Vladyslav; Gu, Li; Sommerfeld, Sven Daniel; Uhrich, Kathryn E.; Murthy, N. Sanjeeva; Welsh, William J.; Moghe, Prabhas V.

    2015-01-01

    The design and synthesis of enhanced membrane-intercalating biomaterials for drug delivery or vascular membrane targeting is currently challenged by the lack of screening and prediction tools. The present work demonstrates the generation of a Quantitative Structural Activity Relationship model (QSAR) to make a priori predictions. Amphiphilic macromolecules (AMs) “stealth lipids” built on aldaric and uronic acids frameworks attached to poly(ethylene glycol) (PEG) polymer tails were developed to form self-assembling micelles. In the present study, a defined set of novel AM structures were investigated in terms of their binding to lipid membrane bilayers using Quartz Crystal Microbalance with Dissipation (QCM-D) experiments coupled with computational coarse-grained molecular dynamics (CG MD) and all-atom MD (AA MD) simulations. The CG MD simulations capture the insertion dynamics of the AM lipophilic backbones into the lipid bilayer with the PEGylated tail directed into bulk water. QCM-D measurements with Voigt viscoelastic model analysis enabled the quantitation of the mass gain and rate of interaction between the AM and the lipid bilayer surface. Thus, this study yielded insights about variations in the functional activity of AM materials with minute compositional or stereochemical differences based on membrane binding, which has translational potential for transplanting these materials in vivo. More broadly, it demonstrates an integrated computational-experimental approach, which can offer a promising strategy for the in silico design and screening of therapeutic candidate materials. PMID:25855953

  9. Muon capture at PSI

    CERN Document Server

    Winter, Peter

    2010-01-01

    Measuring the rate of muon capture in hydrogen provides one of the most direct ways to study the axial current of the nucleon. The MuCap experiment uses a negative muon beam stopped in a time projection chamber operated with ultra-pure hydrogen gas. Surrounded by a decay electron detector, the lifetime of muons in hydrogen can be measured to determine the singlet capture rate Lambda_s to a final precision of 1%. The capture rate determines the nucleon's pseudoscalar form factor g_p. A first result, g_p = 7.3 +- 1.1, has been published and the final analysis of the full statistics will reduce the error by a factor of up to 3. Muon capture on the deuteron probes the weak axial current in the two-nucleon system. Within the framework of effective field theories the calculation of such two-nucleon processes involving the axial current requires the knowledge of one additional low energy constant which can be extracted from the doublet capture rate Lambda_d. The same constant then allows to model-independently calcu...

  10. Induced liquid-crystalline ordering in solutions of stiff and flexible amphiphilic macromolecules: Effect of mixture composition.

    Science.gov (United States)

    Glagolev, Mikhail K; Vasilevskaya, Valentina V; Khokhlov, Alexei R

    2016-07-28

    Impact of mixture composition on self-organization in concentrated solutions of stiff helical and flexible macromolecules was studied by means of molecular dynamics simulation. The macromolecules were composed of identical amphiphilic monomer units but a fraction f of macromolecules had stiff helical backbones and the remaining chains were flexible. In poor solvents the compacted flexible macromolecules coexist with bundles or filament clusters from few intertwined stiff helical macromolecules. The increase of relative content f of helical macromolecules leads to increase of the length of helical clusters, to alignment of clusters with each other, and then to liquid-crystalline-like ordering along a single direction. The formation of filament clusters causes segregation of helical and flexible macromolecules and the alignment of the filaments induces effective liquid-like ordering of flexible macromolecules. A visual analysis and calculation of order parameter relaying the anisotropy of diffraction allow concluding that transition from disordered to liquid-crystalline state proceeds sharply at relatively low content of stiff components.

  11. Muon capture in deuterium

    Science.gov (United States)

    Ricci, P.; Truhlík, E.; Mosconi, B.; Smejkal, J.

    2010-06-01

    Model dependence of the capture rates of the negative muon capture in deuterium is studied starting from potential models and the weak two-body meson exchange currents constructed in the tree approximation and also from an effective field theory. The tree one-boson exchange currents are derived from the hard pion chiral Lagrangians of the NΔπρωa system. If constructed in conjunction with the one-boson exchange potentials, the capture rates can be calculated consistently. On the other hand, the effective field theory currents, constructed within the heavy baryon chiral perturbation theory, contain a low energy constant d that cannot be extracted from data at the one-particle level nor determined from the first principles. Comparative analysis of the results for the doublet transition rate allows us to extract the constant d.

  12. US Spacesuit Knowledge Capture

    Science.gov (United States)

    Chullen, Cinda; Thomas, Ken; McMann, Joe; Dolan, Kristi; Bitterly, Rose; Lewis, Cathleen

    2011-01-01

    The ability to learn from both the mistakes and successes of the past is vital to assuring success in the future. Due to the close physical interaction between spacesuit systems and human beings as users, spacesuit technology and usage lends itself rather uniquely to the benefits realized from the skillful organization of historical information; its dissemination; the collection and identification of artifacts; and the education of those in the field. The National Aeronautics and Space Administration (NASA), other organizations and individuals have been performing United States (U.S.) Spacesuit Knowledge Capture since the beginning of space exploration. Avenues used to capture the knowledge have included publication of reports; conference presentations; specialized seminars; and classes usually given by veterans in the field. More recently the effort has been more concentrated and formalized whereby a new avenue of spacesuit knowledge capture has been added to the archives in which videotaping occurs engaging both current and retired specialists in the field presenting technical scope specifically for education and preservation of knowledge. With video archiving, all these avenues of learning can now be brought to life with the real experts presenting their wealth of knowledge on screen for future learners to enjoy. Scope and topics of U.S. spacesuit knowledge capture have included lessons learned in spacesuit technology, experience from the Gemini, Apollo, Skylab and Shuttle programs, hardware certification, design, development and other program components, spacesuit evolution and experience, failure analysis and resolution, and aspects of program management. Concurrently, U.S. spacesuit knowledge capture activities have progressed to a level where NASA, the National Air and Space Museum (NASM), Hamilton Sundstrand (HS) and the spacesuit community are now working together to provide a comprehensive closed-looped spacesuit knowledge capture system which includes

  13. Effects of Several Natural Macromolecules on the Stability and Controlled Release Properties of Water-in-Oil-in-Water Emulsions.

    Science.gov (United States)

    Li, Jinlong; Shi, Yiheng; Zhu, Yunping; Teng, Chao; Li, Xiuting

    2016-05-18

    Water-in-oil-in-water (W/O/W) emulsions are effective vehicles for embedding application of active compounds but limited by their thermodynamic instability and rapid release properties. The present study added bovine serum albumin, whey protein isolate, whey protein hydrolysate, sodium caseinate, carboxymethylcellulose sodium, fish gelatin, apple pectin, gum arabic, ι-carrageenan, and hydroxypropyl chitosan separately to the internal or external aqueous phase to investigate their effects on the physical stabilities and controlled release properties of W/O/W emulsions. The effects of the natural macromolecules in the internal and external aqueous phases were different and depended upon the macromolecule structure and its mass fraction. The addition of the natural macromolecule strengthened the interfaces of emulsions, which improved the physical stability. The natural macromolecules that improved the stability often did not improve controlled release. Therefore, the balance between these properties needs to be considered when adding natural macromolecules to a W/O/W emulsion.

  14. Synthesis and Characterization of Tailored Macromolecules via Stable Free Radical Polymerization Methodologies

    OpenAIRE

    2003-01-01

    The stable free radical polymerization methodology for production of controlled macromolecules was investigated using a novel monomer, 2-vinylnaphthalene. Initial polymerizations resulted in molecular weight distributions typical of conventional free radical polymerization techniques (>2.0). Manipulation of the initiator concentration and the molar ratio of initiator to nitroxide demonstrated no significant control over the resulting polymer products. Analysis of the polymerization kinetics...

  15. A novel method for imaging sites of paracellular passage of macromolecules in epithelial sheets.

    Science.gov (United States)

    Richter, Jan F; Schmauder, Ralf; Krug, Susanne M; Gebert, Andreas; Schumann, Michael

    2016-05-10

    Understanding the dynamics of intestinal barrier function is key to elucidating oral delivery routes of therapeutics as well as to understanding various diseases that involve the mucosal immune system. Passage of macromolecules across barrier-forming epithelia is classically analyzed by means of various tracer flux measurements. This approach averages over contributions from many cells and lacks labeling of passage-sites. Thus, abundance and nature of involved cells have remained unidentified. We present a novel method that allowed for optical analysis of passage of various macromolecules on large-scale and single-cell level. To achieve tracking of passage loci in epithelia at submicrometer resolution we used biotinylated and fluorescent macromolecules that bind to basolateral membranes pre-labeled with cell-adherent avidin. We applied this method to epithelial cell lines and isolated mucosae in order to 3-dimensionally determine barrier leak properties over time. Tracer passage was found in all epithelia examined. However, it was infrequent, strikingly inhomogeneous, depended on culture duration and tightness of the monolayer. Stimulating passage with barrier-perturbing agents increased the number of leaks exposition time-dependently in cell lines and explanted mucosae. After stepwise opening of the paracellular passage pathway, integrated tracer-signal measured by our assay strictly correlated to simultaneously performed standard fluxes. Thus, our assay allows for the study of transepithelial macromolecule passage in various physiological and pathological conditions. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. New strategy to create ultra-thin surface layer of grafted amphiphilic macromolecules.

    Science.gov (United States)

    Lazutin, A A; Govorun, E N; Vasilevskaya, V V; Khokhlov, A R

    2015-05-14

    It was found first that macromolecules made of amphiphilic monomer units could form spontaneously an ultra-thin layer on the surface which the macromolecules are grafted to. The width of such layer is about double size of monomer unit consisting of hydrophilic A (repulsive) and hydrophobic (attractive) B beads. The hydrophilic A beads are connected in a polymer chain while hydrophobic B beads are attached to A beads of the backbone as side groups. Three characteristic regimes are distinguished. At low grafting density, the macromolecules form ultra-thin micelles of the shape changing with decrease of distance d between grafting points as following: circular micelles-prolonged micelles-inverse micelles-homogeneous bilayer. Those micelles have approximately constant height and specific top-down A-BB-A structure. At higher grafting density, the micelles start to appear above the single bilayer of amphiphilic macromolecules. The thickness of grafted layer in these cases is different in different regions of grafting surface. Only at rather high density of grafting, the height of macromolecular layer becomes uniform over the whole grafting surface. The study was performed by computer modeling experiments and confirmed in framework of analytical theory.

  17. Prospective frequency correction for macromolecule-suppressed GABA editing at 3T

    DEFF Research Database (Denmark)

    Edden, Richard A E; Oeltzschner, Georg; Harris, Ashley D

    2016-01-01

    PURPOSE: To investigate the effects of B0 field offsets and drift on macromolecule (MM)-suppressed GABA-editing experiments, and to implement and test a prospective correction scheme. "Symmetric" editing schemes are proposed to suppress unwanted coedited MM signals in GABA editing. MATERIALS...

  18. Stress growth and relaxation of dendritically branched macromolecules in shear and uniaxial extension

    DEFF Research Database (Denmark)

    Huang, Qian; Costanzo, S.; Das, C.

    2017-01-01

    of the remarkable properties of these highly branched macromolecules. In particular, we address three questions pertinent to the specific molecular structure: (i) is steady state attainable during uniaxial extension? (ii) what is the respective transient response in simple shear? and (iii) how does stress relax...

  19. A Method for Decomposition of the Basic Reaction of Biological Macromolecules into Exponential Components.

    Science.gov (United States)

    Barabash, Yu M; Lyamets, A K

    2016-12-01

    The structural and dynamical properties of biological macromolecules under non-equilibrium conditions determine the kinetics of their basic reaction to external stimuli. This kinetics is multiexponential in nature. This is due to the operation of various subsystems in the structure of macromolecules, as well as the effect of the basic reaction on the structure of macromolecules. The situation can be interpreted as a manifestation of the stationary states of macromolecules, which are represented by monoexponential components of the basic reaction (Monod-Wyman-Changeux model) Monod et al. (J Mol Cell Biol 12:88-118, 1965). The representation of multiexponential kinetics of the basic reaction in the form of a sum of exponential functions [Formula: see text] is a multidimensional optimization problem. To solve this problem, a gradient method of optimization with software determination of the amount of exponents and reasonable calculation time is developed. This method is used to analyze the kinetics of photoinduced electron transport in the reaction centers (RC) of purple bacteria and the fluorescence induction in the granum thylakoid membranes which share a common function of converting light energy.

  20. Intermediate scattering function for macromolecules in solutions probed by neutron spin echo.

    Science.gov (United States)

    Liu, Yun

    2017-02-01

    The neutron-spin-echo method (NSE) is a powerful technique for studying internal dynamics of macromolecules in solutions because it can simultaneously probe length and time scales comparable to intramolecular density fluctuations of macromolecules. Recently, there has been increased, strong interest in studying protein internal motions using NSE. The coherent intermediate scattering function (ISF) measured by NSE depends on internal, rotational, and translational motions of macromolecules in solutions. It is thus critical, but highly nontrivial, to separate the internal motion from other motions in order to properly understand protein internal dynamics. Even though many experiments are performed at relatively high concentrations, current theories of calculating the ISF of concentrated protein solutions are either inaccurate or flawed by incorrect assumptions for realistic protein systems with anisotropic shapes. Here, a theoretical framework is developed to establish the quantitative relationship of different motions included in the ISF. This theory based on the dynamic decoupling approximation is applicable to a wide range of protein concentrations, including dilute cases. It is also, in general, useful for studying many other types of macromolecule systems studied by NSE.

  1. Theory of Brushes Formed by Ψ-Shaped Macromolecules at Solid-Liquid Interfaces.

    Science.gov (United States)

    Zhulina, Ekaterina B; Leermakers, Frans A M; Borisov, Oleg V

    2015-06-16

    We present a theoretical analysis targeted to describe the structural properties of brushes formed by Ψ-shaped macromolecules tethered by terminal segment of stem to planar surface while exposing multiple free branches to the surrounding solution. We use an analytical self-consistent field approach based on the strong stretching approximation, and the assumption of Gaussian elasticity for linear chain fragments of the tethered macromolecules. The effect of weak and strong polydispersity of branches is analyzed. In the case of weakly polydisperse macromolecules, variations in length of branches lead to a more uniform polymer density distribution with slight increase in the brush thickness compared to the case of monodisperse chains with the same degree of polymerization. We demonstrate that in contrast to linear chains, strong polydispersity of Ψ-shaped macromolecules does not necessarily lead to strong perturbations in polymer density distribution. In particular, mixed brushes of the so-called "mirror" dendrons (in which number of stem monomers in one component coincides with number of monomers in a branch of the other component, and vice versa) give rise to a unified polymer density distribution with shape independent of the brush composition. The predictions of analytical theory are systematically compared to the results of numerical self-consistent field modeling based on the Scheutjens-Fleer approach.

  2. Tonal Interface to MacroMolecules (TIMMol): A Textual and Tonal Tool for Molecular Visualization

    Science.gov (United States)

    Cordes, Timothy J.; Carlson, C. Britt; Forest, Katrina T.

    2008-01-01

    We developed the three-dimensional visualization software, Tonal Interface to MacroMolecules or TIMMol, for studying atomic coordinates of protein structures. Key features include audio tones indicating x, y, z location, identification of the cursor location in one-dimensional and three-dimensional space, textual output that can be easily linked…

  3. Preface: Special Topic on Coarse Graining of Macromolecules, Biopolymers, and Membranes.

    Science.gov (United States)

    Holm, Christian; Gompper, Gerhard; Dill, Ken A

    2015-12-28

    This special issue highlights new developments in theory and coarse-graining in biological and synthetic macromolecules and membranes. Such approaches give unique insights into the principles and design of the structures, dynamics, and assembly processes of these complex fluids and soft materials, where the length and time scales are often prohibitively long for fully atomistic modeling.

  4. Preface: Special Topic on Coarse Graining of Macromolecules, Biopolymers, and Membranes

    Energy Technology Data Exchange (ETDEWEB)

    Holm, Christian [Institut für Computerphysik, Universität Stuttgart, Allmandring 3, 70569 Stuttgart (Germany); Gompper, Gerhard [Theoretical Soft Matter and Biophysics, Institute of Complex Systems and Institute for Advanced Simulation, Forschungszentrum Jülich, 52428 Jülich (Germany); Dill, Ken A. [Department of Chemistry, Stony Brook University, Stony Brook, New York 11794 (United States)

    2015-12-28

    This special issue highlights new developments in theory and coarse-graining in biological and synthetic macromolecules and membranes. Such approaches give unique insights into the principles and design of the structures, dynamics, and assembly processes of these complex fluids and soft materials, where the length and time scales are often prohibitively long for fully atomistic modeling.

  5. A screening-corrected additivity rule for the calculation of electron scattering from macro-molecules

    Energy Technology Data Exchange (ETDEWEB)

    Blanco, F [Departamento de Fisica Atomica Molecular y Nuclear, Facultad de Ciencias Fisicas. Universidad Complutense, Avda. Complutense s/n, E-28040 Madrid (Spain); Garcia, G [Instituto de Matematicas y Fisica Fundamental, Consejo Superior de Investigaciones CientIficas, Serrano 121, 28006 Madrid (Spain)], E-mail: pacobr@fis.ucm.es

    2009-07-28

    A simplified form of the well-known screening-corrected additivity rule procedure for the calculation of electron-molecule cross sections is proposed for the treatment of some very large macro-molecules. While the comparison of the standard and simplified treatments for a DNA dodecamer reveals very similar results, the new treatment presents some important advantages for large molecules.

  6. Distribution of various forms of organic nitrogen in a lignite macromolecule

    Energy Technology Data Exchange (ETDEWEB)

    Platonov, V.V.; Proskuryakov, V.A.; Polovetskaya, O.S.; Shavyrina, O.A.; Ryl' tsova, S.V. [Lev Tolstoi State Pedalogical University, Tula (Russian Federation)

    2001-07-01

    The chemical composition of organic bases from tars of stepwise semicoking of lignite was studied. The features of distribution of organic nitrogen in a coal macromolecule and the most probable pathways of thermal degradation of the nitrogen-containing fragments were examined.

  7. Advances in industrial prospective of cellulosic macromolecules enriched banana biofibre resources: A review.

    Science.gov (United States)

    Pappu, Asokan; Patil, Vikas; Jain, Sonal; Mahindrakar, Amit; Haque, Ruhi; Thakur, Vijay Kumar

    2015-08-01

    Biological macromolecules enriched resources are rapidly emerging as sustainable, cost effective and environmental friendly materials for several industrial applications. Among different biological macromolecules enriched resources, banana fibres are one of the unexplored high potential bio-resources. Compared to various natural fibres such as jute, coir, palm etc., the banana fibres exhibits a better tensile strength i.e. 458 MPa with 17.14 GPa tensile modulus. Traditionally used petroleum based synthetic fibres have been proven to be toxic, non-biodegradable and energy intensive for manufacturing. Cellulosic banana fibres are potential engineering materials having considerable scope to be used as an environmental friendly reinforcing element for manufacturing of polymer based green materials. This paper summarizes the world scenario of current production of biological macromolecules rich banana residues and fibres; major user's of banana fibres. The quality and quantity of biological macromolecules especially the cellulose, hemicellulose, lignin, wax, engineering and mechanical properties of banana biofibre resources are reported and discussed. Subsequently, the findings of the recent research on bio resource composites, materials performance and opportunities have been discussed which would be a real challenge for the tomorrow world to enhance the livelihood environmental friendly advancement. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Intermediate scattering function for macromolecules in solutions probed by neutron spin echo

    Science.gov (United States)

    Liu, Yun

    2017-02-01

    The neutron-spin-echo method (NSE) is a powerful technique for studying internal dynamics of macromolecules in solutions because it can simultaneously probe length and time scales comparable to intramolecular density fluctuations of macromolecules. Recently, there has been increased, strong interest in studying protein internal motions using NSE. The coherent intermediate scattering function (ISF) measured by NSE depends on internal, rotational, and translational motions of macromolecules in solutions. It is thus critical, but highly nontrivial, to separate the internal motion from other motions in order to properly understand protein internal dynamics. Even though many experiments are performed at relatively high concentrations, current theories of calculating the ISF of concentrated protein solutions are either inaccurate or flawed by incorrect assumptions for realistic protein systems with anisotropic shapes. Here, a theoretical framework is developed to establish the quantitative relationship of different motions included in the ISF. This theory based on the dynamic decoupling approximation is applicable to a wide range of protein concentrations, including dilute cases. It is also, in general, useful for studying many other types of macromolecule systems studied by NSE.

  9. A Method for Decomposition of the Basic Reaction of Biological Macromolecules into Exponential Components

    Science.gov (United States)

    Barabash, Yu. M.; Lyamets, A. K.

    2016-12-01

    The structural and dynamical properties of biological macromolecules under non-equilibrium conditions determine the kinetics of their basic reaction to external stimuli. This kinetics is multiexponential in nature. This is due to the operation of various subsystems in the structure of macromolecules, as well as the effect of the basic reaction on the structure of macromolecules. The situation can be interpreted as a manifestation of the stationary states of macromolecules, which are represented by monoexponential components of the basic reaction (Monod-Wyman-Changeux model) Monod et al. (J Mol Cell Biol 12:88-118, 1965). The representation of multiexponential kinetics of the basic reaction in the form of a sum of exponential functions (A(t)={sum}_{i=1}^n{a}_i{e}^{-{k}_it}) is a multidimensional optimization problem. To solve this problem, a gradient method of optimization with software determination of the amount of exponents and reasonable calculation time is developed. This method is used to analyze the kinetics of photoinduced electron transport in the reaction centers (RC) of purple bacteria and the fluorescence induction in the granum thylakoid membranes which share a common function of converting light energy.

  10. A chip sustem for size separation of macromolecules and particles by hydrodynamic chromatography

    NARCIS (Netherlands)

    Chmela, Emil; Tijssen, Robert; Blom, M.T.; Gardeniers, Johannes G.E.; van den Berg, Albert

    2002-01-01

    For the first time, a miniaturized hydrodynamic chromatography chip system has been developed and tested on separation of fluorescent nanospheres and macromolecules. The device can be applied to size characterization of synthetic polymers, biopolymers, and particles, as an attractive alternative to

  11. Hollow fiber membrane modification with functional zwitterionic macromolecules for improved thromboresistance in artificial lungs.

    Science.gov (United States)

    Ye, Sang-Ho; Arazawa, David T; Zhu, Yang; Shankarraman, Venkat; Malkin, Alexander D; Kimmel, Jeremy D; Gamble, Lara J; Ishihara, Kazuhiko; Federspiel, William J; Wagner, William R

    2015-03-03

    Respiratory assist devices seek optimized performance in terms of gas transfer efficiency and thromboresistance to minimize device size and reduce complications associated with inadequate blood biocompatibility. The exchange of gas with blood occurs at the surface of the hollow fiber membranes (HFMs) used in these devices. In this study, three zwitterionic macromolecules were attached to HFM surfaces to putatively improve thromboresistance: (1) carboxyl-functionalized zwitterionic phosphorylcholine (PC) and (2) sulfobetaine (SB) macromolecules (mPC or mSB-COOH) prepared by a simple thiol-ene radical polymerization and (3) a low-molecular weight sulfobetaine (SB)-co-methacrylic acid (MA) block copolymer (SBMAb-COOH) prepared by reversible addition-fragmentation chain transfer (RAFT) polymerization. Each macromolecule type was covalently immobilized on an aminated commercial HFM (Celg-A) by a condensation reaction, and HFM surface composition changes were analyzed by X-ray photoelectron spectroscopy. Thrombotic deposition on the HFMs was investigated after contact with ovine blood in vitro. The removal of CO2 by the HFMs was also evaluated using a model respiratory assistance device. The HFMs conjugated with zwitterionic macromolecules (Celg-mPC, Celg-mSB, and Celg-SBMAb) showed expected increases in phosphorus or sulfur surface content. Celg-mPC and Celg-SBMAb experienced rates of platelet deposition significantly lower than those of unmodified (Celg-A, >95% reduction) and heparin-coated (>88% reduction) control HFMs. Smaller reductions were seen with Celg-mSB. The CO2 removal rate for Celg-SBMAb HFMs remained comparable to that of Celg-A. In contrast, the rate of removal of CO2 for heparin-coated HFMs was significantly reduced. The results demonstrate a promising approach to modifying HFMs using zwitterionic macromolecules for artificial lung devices with improved thromboresistance without degradation of gas transfer.

  12. Inhalation therapy of macromolecules%大分子的吸入治疗

    Institute of Scientific and Technical Information of China (English)

    周煜

    2001-01-01

    随着重组DNA技术和分子生物学的发展,以蛋白质和多肽为主的大分子成为一类新型药物,并越来越受到重视,新兴的基因治疗技术使得核酸大分子也有可能成为药物。目前,绝大部分大分子药物都是通过注射途径给药, 病人在医院注射费用昂贵且不方便,因而许多注射替代给药途径成为研究热门,通过肺部吸入给药就是一种很有吸引力的非侵入性给药途径。本文介绍了肺吸收大分子的可能机制和大分子吸入治疗的临床与基础研究以及面临的问题。%Advances in molecular biology and recombinant DNA technology have led to the development of macromolecule as therapeutic agents for a variety of diseases including proteins, peptides and even nucleic acids. At present most of macromolecules are delivered by injection. Other routes of drug administration are being actively investigated. The inhalation therapy of macromolecule is an attractive noninvasive drug delivery method. In this review we describe the possible mechanisms of macromolecule absorption by the lung, then discuss the clinical and basic research of macromolecular inhalation therapy and analyze the problems of macromolecule inhalation delivery.

  13. Capturing the Market

    Science.gov (United States)

    Ramaswami, Rama

    2009-01-01

    Digital lecture capture and broadcast solutions have been around for only about 10 years, but are poised for healthy growth. Frost & Sullivan research analysts estimate that the market (which amounts to $25 million currently) will quadruple by 2013. It's still dominated by a few key players, however: Sonic Foundry holds a hefty 40 percent-plus…

  14. Effective electrophoretic mobilities and charges of anti-VEGF proteins determined by capillary zone electrophoresis.

    Science.gov (United States)

    Li, S Kevin; Liddell, Mark R; Wen, He

    2011-06-01

    Macromolecules such as therapeutic proteins currently serve an important role in the treatment of eye diseases such as wet age-related macular degeneration and diabetic retinopathy. Particularly, bevacizumab and ranibizumab have been shown to be effective in the treatment of these diseases. Iontophoresis can be employed to enhance ocular delivery of these macromolecules, but the lack of information on the properties of these macromolecules has hindered its development. The objectives of the present study were to determine the effective electrophoretic mobilities and charges of bevacizumab, ranibizumab, and model compound polystyrene sulfonate (PSS) using capillary zone electrophoresis. Salicylate, lidocaine, and bovine serum albumin (BSA), which have known electrophoretic mobilities in the literature, were also studied to validate the present technique. The hydrodynamic radii and diffusion coefficients of BSA, bevacizumab, ranibizumab, and PSS were measured by dynamic light scattering. The effective charges were calculated using the Einstein relation between diffusion coefficient and electrophoretic mobility and the Henry equation. The results show that bevacizumab and ranibizumab have low electrophoretic mobilities and are net negatively charged in phosphate buffered saline (PBS) of pH 7.4 and 0.16M ionic strength. PSS has high negative charge but the electrophoretic mobility in PBS is lower than that expected from the polymer structure. The present study demonstrated that capillary electrophoresis could be used to characterize the mobility and charge properties of drug candidates in the development of iontophoretic drug delivery.

  15. Interface-state capture cross section—Why does it vary so much?

    Energy Technology Data Exchange (ETDEWEB)

    Ryan, J. T.; Matsuda, A.; Campbell, J. P.; Cheung, K. P., E-mail: kin.cheung@nist.gov [Semiconductor and Dimensional Metrology Division, National Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, Maryland 20899 (United States)

    2015-04-20

    A capture cross section value is often assigned to Si–SiO{sub 2} interface defects. Using a kinetic variation of the charge pumping technique and transition state theory, we show that the value of capture cross section is extremely sensitive to the measurement approach and does not provide any meaningful insight into the physics involved. We argue that capture cross section is neither a physical property of interface defects nor is there any need to assign capture cross section values.

  16. CAPTURED End Evaluation Synthesis Report

    NARCIS (Netherlands)

    Brouwers, J.H.A.M.

    2012-01-01

    This report provides the findings of the Synthesis Study of the CAPTURED Evaluation and is produced as part of the overall CAPTURED End Evaluation. After five years of support by the CAPTURED project the three CAPTURED partners have achieved commendable results. Ten lessons learned are formulated th

  17. Permselectivity of the liver blood-lymph (ascitic fluid) barrier to macromolecules in decompensated cirrhosis: relation to calculated pore-size

    DEFF Research Database (Denmark)

    Henriksen, Jens Henrik Sahl

    1983-01-01

    ) exchange of endogeneous macromolecules. A significant 'sieving' is present in this barrier to the largest macromolecule (IgM). Calculations of pore-size equivalent to the observed permselectivity of macromolecules suggest microvascular gaps (or channels) with an average radius about 300 A, i...

  18. Hydroxycinnamic acids are ester-linked directly to glucosyl moieties within the lignan macromolecule from flaxseed hulls.

    Science.gov (United States)

    Struijs, Karin; Vincken, Jean-Paul; Verhoef, René; Voragen, Alphons G J; Gruppen, Harry

    2008-03-01

    In flaxseed hulls, lignans are present in an oligomeric structure. Secoisolariciresinol diglucoside (SDG), ester-linked to hydroxy-methyl-glutaric acid (HMGA), forms the backbone of this lignan macromolecule. The hydroxycinnamic acids p-coumaric acid glucoside (CouAG) and ferulic acid glucoside (FeAG) are also part of the lignan macromolecule. However, their position and type of linkage are still unknown. The aim of this study was to investigate how CouAG and FeAG are linked within the lignan macromolecule from flaxseed hulls. Fragments of the lignan macromolecule were obtained by partial saponification. After isolation of the fragments by preparative RP-HPLC, several key structures were identified by MS and NMR. Within the lignan macromolecule, CouAG is attached to the C-6 position of a glucosyl moiety of SDG. FeA is linked to the C-2 position of a glucosyl moiety of SDG. FeAG is ester-linked within the lignan macromolecule with its carboxyl group, but it remains unclear whether FeAG links to the C-2 or C-6 position of SDG. Attachment of HMGA to the glucosyl moiety of CouAG or FeAG was not observed. The results clearly show that within the lignan macromolecule, the hydroxycinnamic acids are linked directly via an ester bond to the glucosyl moiety of SDG.

  19. Supernova electron capture rates

    CERN Document Server

    Martínez-Pinedo, G

    1999-01-01

    We have calculated the Gamow-Teller strength distributions for the ground states and low lying states of several nuclei that play an important role in the precollapse evolution of supernova. The calculations reproduce the experimental GT distributions nicely. The GT distribution are used to calculate electron capture rates for typical presupernova conditions. The computed rates are noticeably smaller than the presently adopted rates. The possible implications for the supernova evolution are discussed.

  20. Effect of protein adsorption and ionic strength on the equilibrium partition coefficient of ionizable macromolecules in charged nanopores

    NARCIS (Netherlands)

    Biesheuvel, P.M.; Stroeve, P.; Barneveld, P.A.

    2004-01-01

    Recent experimental data on the diffusive transport of globular protein molecules through nanopores (D ~ 20 nm), covered with chemisorbed self-assembled monolayers (SAMs) of carboxylic acid functional groups (Ku, J.-R.; Stroeve, P. Langmuir 2004, 20, 2030), show a strong increase in flux around the

  1. Materials design for electrocatalytic carbon capture

    Science.gov (United States)

    Tan, Xin; Tahini, Hassan A.; Smith, Sean C.

    2016-05-01

    We discuss our philosophy for implementation of the Materials Genome Initiative through an integrated materials design strategy, exemplified here in the context of electrocatalytic capture and separation of CO2 gas. We identify for a group of 1:1 X-N graphene analogue materials that electro-responsive switchable CO2 binding behavior correlates with a change in the preferred binding site from N to the adjacent X atom as negative charge is introduced into the system. A reconsideration of conductive N-doped graphene yields the discovery that the N-dopant is able to induce electrocatalytic binding of multiple CO2 molecules at the adjacent carbon sites.

  2. Marine-derived biological macromolecule-based biomaterials for wound healing and skin tissue regeneration.

    Science.gov (United States)

    Chandika, Pathum; Ko, Seok-Chun; Jung, Won-Kyo

    2015-01-01

    Wound healing is a complex biological process that depends on the wound condition, the patient's health, and the physicochemical support given through external materials. The development of bioactive molecules and engineered tissue substitutes to provide physiochemical support to enhance the wound healing process plays a key role in advancing wound-care management. Thus, identification of ideal molecules in wound treatment is still in progress. The discovery of natural products that contain ideal molecules for skin tissue regeneration has been greatly advanced by exploration of the marine bioenvironment. Consequently, tremendously diverse marine organisms have become a great source of numerous biological macromolecules that can be used to develop tissue-engineered substitutes with wound healing properties. This review summarizes the wound healing process, the properties of macromolecules from marine organisms, and the involvement of these molecules in skin tissue regeneration applications.

  3. Mitochondrial transit peptide exhibits cell penetration ability and efficiently delivers macromolecules to mitochondria.

    Science.gov (United States)

    Jain, Aastha; Chugh, Archana

    2016-09-01

    Mitochondrial malfunction under various circumstances can lead to a variety of disorders. Effective targeting of macromolecules (drugs) is important for restoration of mitochondrial function and treatment of related disorders. We have designed a novel cell-penetrating mitochondrial transit peptide (CpMTP) for delivery of macromolecules to mitochondria. Comparison between properties of cell-penetrating peptides (CPPs) and mitochondrial signal sequences enabled prediction of peptides with dual ability for cellular translocation and mitochondrial localization. Among the predicted peptides, CpMTP translocates across HeLa cells and shows successful delivery of noncovalently conjugated cargo molecules to mitochondria. CpMTP may have applications in transduction and transfection of mitochondria for therapeutics. © 2016 Federation of European Biochemical Societies.

  4. Recent Progress in the Design of Monodisperse, Sequence-Defined Macromolecules.

    Science.gov (United States)

    Solleder, Susanne C; Schneider, Rebekka V; Wetzel, Katharina S; Boukis, Andreas C; Meier, Michael A R

    2017-05-01

    This review describes different synthetic strategies towards sequence-defined, monodisperse macromolecules, which are built up by iterative approaches and lead to linear non-natural polymer structures. The review is divided in three parts: solution phase-, solid phase-, and fluorous- and polymer-tethered approaches. Moreover, synthesis procedures leading to conjugated and non-conjugated macromolecules are considered and discussed in the respective sections. A major focus in the evaluation is the applicability of the different approaches in polymer chemistry. In this context, simple procedures for monomer and oligomer synthesis, overall yields, scalability, purity of the oligomers, and the achievable level of control (side-chains, backbone, stereochemistry) are important benchmarks. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. A Stochastic Finite Element Model for the Dynamics of Globular Macromolecules

    CERN Document Server

    Oliver, Robin; Harlen, Oliver G; Harris, Sarah A

    2012-01-01

    We describe a novel coarse-grained simulation method for modelling the dynamics of globular macromolecules, such as proteins. The macromolecule is treated as a continuum that is subject to thermal fluctuations. The model includes a non-linear treatment of elasticity and viscosity with thermal noise that is solved using finite element analysis. We have validated the method by demonstrating that the model provides average kinetic and potential energies that are in agreement with the classical equipartition theorem. In addition, we have performed Fourier analysis on the simulation trajectories obtained for a series of linear beams to confirm that the correct average energies are present in the first two Fourier bending modes. We have then used the new modelling method to simulate the thermal fluctuations of a representative protein over 500ns timescales. Using reasonable parameters for the material properties, we have demonstrated that the overall deformation of the biomolecule is consistent with the results obt...

  6. Biomimetic Transmembrane Channels with High Stability and Transporting Efficiency from Helically Folded Macromolecules.

    Science.gov (United States)

    Lang, Chao; Li, Wenfang; Dong, Zeyuan; Zhang, Xin; Yang, Feihu; Yang, Bing; Deng, Xiaoli; Zhang, Chenyang; Xu, Jiayun; Liu, Junqiu

    2016-08-08

    Membrane channels span the cellular lipid bilayers to transport ions and molecules into cells with sophisticated properties including high efficiency and selectivity. It is of particular biological importance in developing biomimetic transmembrane channels with unique functions by means of chemically synthetic strategies. An artificial unimolecular transmembrane channel using pore-containing helical macromolecules is reported. The self-folding, shape-persistent, pore-containing helical macromolecules are able to span the lipid bilayer, and thus result in extraordinary channel stability and high transporting efficiency for protons and cations. The lifetime of this artificial unimolecular channel in the lipid bilayer membrane is impressively long, rivaling those of natural protein channels. Natural channel mimics designed by helically folded polymeric scaffolds will display robust and versatile transport-related properties at single-molecule level. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Encoding of Primary Structures of Biological Macromolecules Within a Data Mining Perspective

    Institute of Scientific and Technical Information of China (English)

    Mondher Maddouri; Mourad Elloumi

    2004-01-01

    An encoding method has a direct effect on the quality and the representation of the discovered knowledge in data mining systems. Biological macromolecules are encoded by strings of characters, called primary structures. Knowing that data mining systems usually use relational tables to encode data, we have then to reencode these strings and transform them into relational tables. In this paper, we do a comparative study of the existing static encoding methods, that are based on the Biologist know-how, and our new dynamic encoding one,that is based on the construction of Discriminant and Minimal Substrings (DMS). Different classification methods are used to do this study. The experimental results show that our dynamic encoding method is more efficient than the static ones, to encode biological macromolecules within a data mining perspective.

  8. Synthesis and mechanisms of formation of polymers composed of different macromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Korshak, V.V.; Askadskii, A.A.; Vointseva, I.I.; Mustafaeva, B.B.; Slonimskii, G.L.; Suprun, A.P.

    1983-02-01

    The fundamental possibility of synthesizing soluble and fusible aggregates of different macromolecules was discovered in the reaction of chlorinated and aromatic polymers under the conditions of the Friedel-Crafts reaction. Such an approach opens the prospects of combining in one macromolecule two or more different types of chain, and of the synthesis of polymers with a new combination of properties. In this reaction poly-1,1,2-trichlorobutadiene (PTCB) and polyvinylcholoride can be used as chlorine-containing compounds, and polystyrene (PS), poly-..cap alpha..-methyl-styrene, polyarylates, polycarbonates, etc., as the aromatic polymers. The mechanism of the reaction of chlorinated and aromatic polymers was studied with PTCB and PS as the model pair of polymers.

  9. Spreading of a chain macromolecule onto a cell membrane by a computer simulation Model

    Science.gov (United States)

    Xie, Jun; Pandey, Ras

    2002-03-01

    Computer simulations are performed to study conformation and dynamics of a relatively large chain macromolecule at the surface of a model membrane - a preliminary attempt to ultimately realistic model for protein on a cell membrane. We use a discrete lattice of size Lx × L × L. The chain molecule of length Lc is modeled by consecutive nodes connected by bonds on the trail of a random walk with appropriate constraints such as excluded volume, energy dependent configurational bias, etc. Monte Carlo method is used to move chains via segmental dynamics, i.e., end-move, kink-jump, crank-shaft, reptation, etc. Membrane substrate is designed by a self-assemble biased short chains on a substrate. Large chain molecule is then driven toward the membrane by a field. We investigate the dynamics of chain macromolecule, spread of its density, and conformation.

  10. Load-release of small and macromolecules from elastomers with reversible gyroid mesoporosity

    DEFF Research Database (Denmark)

    Guo, Fengxiao; Schulte, Lars; Ndoni, Sokol

    2012-01-01

    . However, in the gel state in the presence of a good solvent the swollen matrix did show a nanoporous structure originated from the gyroid block copolymer precursor. Nanopores can be opened or closed depending on the presence or absence of a solvent. Macromolecules like PEG of different molecular weights...... or small molecules like the surfactant SDS were loaded into the opened nanoporous matrix in the presence of a solvent and remained trapped. The loaded molecules could be released again in the presence of a solvent. The load and release of the molecules in deuterated form were monitored by in situ time......-resolved small angle neutron scattering, SANS. The bicontinuous gyroid pore structure is accessible to macromolecules without the need for sample pre-alignment. The materials presented here are model systems for a novel type of load-delivery systems that could show great potential in e.g. diagnostics or drug...

  11. Capturing the Future: Direct and Indirect Probes of Neutron Capture

    Energy Technology Data Exchange (ETDEWEB)

    Couture, Aaron Joseph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-08-31

    This report documents aspects of direct and indirect neutron capture. The importance of neutron capture rates and methods to determine them are presented. The following conclusions are drawn: direct neutron capture measurements remain a backbone of experimental study; work is being done to take increased advantage of indirect methods for neutron capture; both instrumentation and facilities are making new measurements possible; more work is needed on the nuclear theory side to understand what is needed furthest from stability.

  12. Electron Capture in a Fully Ionized Plasma

    CERN Document Server

    Widom, A; Srivastava, Y N

    2014-01-01

    Properties of fully ionized water plasmas are discussed including plasma charge density oscillations and the screening of the Coulomb law especially in the dilute classical Debye regime. A kinetic model with two charged particle scattering events determines the transition rate per unit time for electron capture by a nucleus with the resulting nuclear transmutations. Two corrections to the recent Maiani et al. calculations are made: (i) The Debye screening length is only employed within its proper domain of validity. (ii) The WKB approximation employed by Maiani in the long De Broglie wave length limit is evidently invalid. We replace this incorrect approximation with mathematically rigorous Calogero inequalities in order to discuss the scattering wave functions. Having made these corrections, we find a verification for our previous results based on condensed matter electro-weak quantum field theory for nuclear transmutations in chemical batteries.

  13. Ultrasound-enhanced penetration through sclera depends on frequency of sonication and size of macromolecules.

    Science.gov (United States)

    Chau, Ying; Suen, Wai Leung Langston; Tse, Ho Yan; Wong, Hoi Sang

    2017-03-30

    We previously employed ultrasound as a needleless approach to deliver macromolecules via the transscleral route to the back of the eye in live animals (Suen et al., 2013). Here, we investigated the nature of the ultrasound-enhanced transport through sclera, the outermost barrier in the transscleral route. Thus, the possible role of cavitation from ultrasound was explored; its effect during and after sonication on scleral penetration was measured; and the dependence on the size of macromolecules was determined. We applied ultrasound frequency from 40kHz to 3MHz at ISATA (spatial-average-temporal-average intensity) of 0.05W/cm(2) to fresh rabbit sclera ex vivo. Fluorescent dextran of size 20kDa to 150kDa was used as macromolecular probes. We measured the distance of penetration of the probes through the sclera over 30s during sonication and over 15min after sonication from cryosectioned tissue images. Deeper penetration in the sclera was observed with decreasing frequency. The presence of stable cavitation was further verified by passive acoustic detection. The effect during sonication increased penetration distance up to 20 fold and was limited to macromolecular probes ≤70kDa. The effect post sonication increased penetration distance up to 3 fold and attributed to the improved intrasscleral transport of macromolecules ≥70kDa. Post-sonication enhancement diminished gradually in 3h. As the extent of cavitation increased with decreasing frequency, the trend observed supports the contribution of (stable) cavitation to enhancing transport through sclera. Effect during sonication was attributed to flow associated with acoustic microstreaming. Effect post sonication was attributed to the temporary increase in scleral permeability. Flow-associated effect was more pronounced but only applied to smaller macromolecules. Copyright © 2017. Published by Elsevier B.V.

  14. Bioinformatic science and devices for computer analysis and visualization of macromolecules

    Directory of Open Access Journals (Sweden)

    Yu.B. Porozov

    2010-06-01

    Full Text Available The goals and objectives of bioinformatic science are presented in the article. The main methods and approaches used in computer biology are highlighted. Areas in which bioinformatic science can greatly facilitate and speed up the work of practical biologist and pharmacologist are revealed. The features of both the basic packages and software devices for complete, thorough analysis of macromolecules and for development and modeling of ligands and binding centers are described

  15. Asymmetrical flow field-flow fractionation in the study of water-soluble macromolecules

    OpenAIRE

    Yohannes, Gebrenegus

    2007-01-01

    Asymmetrical flow field-flow fractionation (AsFlFFF) was constructed, and its applicability to industrial, biochemical, and pharmaceutical applications was studied. The effect of several parameters, such as pH, ionic strength, temperature and the reactants mixing ratios on the particle sizes, molar masses, and the formation of aggregates of macromolecules was determined by AsFlFFF. In the case of industrial application AsFlFFF proved to be a valuable tool in the characterization of the hydrod...

  16. Application of Symmetry Adapted Function Method for Three-Dimensional Reconstruction of Octahedral Biological Macromolecules

    Directory of Open Access Journals (Sweden)

    Songjun Zeng

    2010-01-01

    Full Text Available A method for three-dimensional (3D reconstruction of macromolecule assembles, that is, octahedral symmetrical adapted functions (OSAFs method, was introduced in this paper and a series of formulations for reconstruction by OSAF method were derived. To verify the feasibility and advantages of the method, two octahedral symmetrical macromolecules, that is, heat shock protein Degp24 and the Red-cell L Ferritin, were utilized as examples to implement reconstruction by the OSAF method. The schedule for simulation was designed as follows: 2000 random orientated projections of single particles with predefined Euler angles and centers of origins were generated, then different levels of noises that is signal-to-noise ratio (S/N =0.1,0.5, and 0.8 were added. The structures reconstructed by the OSAF method were in good agreement with the standard models and the relative errors of the structures reconstructed by the OSAF method to standard structures were very little even for high level noise. The facts mentioned above account for that the OSAF method is feasible and efficient approach to reconstruct structures of macromolecules and have ability to suppress the influence of noise.

  17. Prevention of H-Aggregates Formation in Cy5 Labeled Macromolecules

    Directory of Open Access Journals (Sweden)

    Jing Kang

    2010-01-01

    Full Text Available H-aggregates of the cyanine dye Cy5 are formed during covalent linkage to the cationic macromolecule Poly(allylamine (PAH. The nonfluorescent H-aggregates strongly restrict the usage of the dye for analytical purposes and prevent a quantitative determination of the labeled macromolecules. The behavior of the H-aggregates has been studied by investigation of the absorption and fluorescence spectra of the dye polymer in dependence on solvent, label degree and additional sulfonate groups. H-aggregate formation is caused by an inhomogeneous distribution of the Cy5 molecules on the polymer chain. The H-aggregates can be destroyed by conformational changes of the PAH induced by interactions with polyanions or in organic solvents. It has been found that the polymer labeling process in high content of organic solvents can prevent the formation of H-aggregates. The results offer a better understanding and improvement of the use of the Cy5 dye for labeling purposes in fluorescence detection of macromolecules.

  18. Structure-Correlation NMR Spectroscopy for Macromolecules Using Repeated Bidirectional Photoisomerization of Azobenzene.

    Science.gov (United States)

    Nagashima, Toshio; Ueda, Keisuke; Nishimura, Chiaki; Yamazaki, Toshio

    2015-11-17

    Control over macromolecular structure offers bright potentials for manipulation of macromolecular functions. We here present structure-correlation NMR spectroscopy to analyze the correlation between polymorphic macromolecular structures driven by photoisomerization of azobenzene. The structural conversion of azobenzene was induced within the mixing time of a NOESY experiment using a colored light source, and the reverse structural conversion was induced during the relaxation delay using a light source of another color. The correlation spectrum between trans- and cis-azobenzene was then obtained. To maximize the efficiency of the bidirectional photoisomerization of azobenzene-containing macromolecules, we developed a novel light-irradiation NMR sample tube and method for irradiating target molecules in an NMR radio frequency (rf) coil. When this sample tube was used for photoisomerization of an azobenzene derivative at a concentration of 0.2 mM, data collection with reasonable sensitivity applicable to macromolecules was achieved. We performed isomerization of an azobenzene-cross-linked peptide within the mixing time of a NOESY experiment that produced cross-peaks between helix and random-coil forms of the peptide. Thus, these results indicate that macromolecular structure manipulation can be incorporated into an NMR pulse sequence using an azobenzene derivative and irradiation with light of two types of wavelengths, providing a new method for structural analysis of metastable states of macromolecules.

  19. Nasal Absorption of Macromolecules from Powder Formulations and Effects of Sodium Carboxymethyl Cellulose on Their Absorption.

    Science.gov (United States)

    Tanaka, Akiko; Furubayashi, Tomoyuki; Matsushita, Akifumi; Inoue, Daisuke; Kimura, Shunsuke; Katsumi, Hidemasa; Sakane, Toshiyasu; Yamamoto, Akira

    2016-01-01

    The nasal absorption of macromolecules from powder formulations and the effect of sodium carboxymethyl cellulose (CMC-Na) as a pharmaceutical excipient on their absorption were studied. Model macromolecules were fluorescein isothiocyanate-labeled dextran (average molecular weight of 4.4kDa, FD4) and insulin. The plasma concentration of FD4 after application of the powder containing 50% starch (control) was higher than that after application of the solution, and the absorption from 50% starch powder was enhanced by the substitution of starch with CMC-Na. The fractional absorption of FD4 after administration of the CMC-Na powder formulation was 30% and 40% higher than that after administration from the solution and the starch powder, respectively. The nasal absorption of insulin from the powder and the effect of CMC-Na were similar with those of FD4. The effective absorption of FD4 and insulin after application of powder with CMC-Na could be due to the increase in the nasal residence of FD4 and insulin. No damage in the nasal mucosa or dysfunction of the mucociliary clearance was observed after application of the drug powder and CMC-Na. The present findings indicate that nasal delivery of powder formulations with the addition of CMC-Na as an excipient is a promising approach for improving the nasal absorption of macromolecules.

  20. Immunomodulatory Properties of Taranjebin (Camel's Thorn) Manna and Its Isolated Carbohydrate Macromolecules.

    Science.gov (United States)

    Hamedi, Azadeh; Farjadian, Shirin; Karami, Mohammad Reza

    2015-10-01

    Taranjebin manna is a substance produced by Poophilus nebulosus Leth. (Aphrophoridae) larva that feed from host plant Alhagi maurorum (Leguminosae). In Persian ethnomedicine, it is used as an antipyretic, antiviral, antimicrobial, demulcent, and adaptogen. But it is contraindicated in acute fever and some infections. This controversy might be due to its immunomodulatory properties. This study evaluated immunomodulatory properties of Taranjebin and its macromolecules. Taranjebin solution was prepared as described in traditional literature. After dialysis and precipitation, the macromolecules were isolated on DEAE Sephadex A-25. The cytotoxic/proliferative properties of Taranjebin and its isolated macromolecules on human Jurkat E6.1 cells were investigated (15.62-1000 μg/mL) using WST-1 reagent. Three of 4 isolated acidic polysaccharides inhibited the proliferation of Jurkat cells in a dose-dependent manner at concentrations higher than 31.25 μg/mL (IC50 range of 44.81-147.97 μg/mL). The crude aqueous Taranjebin solution had proliferative effects. These results indicate the immunomodulatory properties of Taranjebin. © The Author(s) 2015.

  1. Silica-based systems for oral delivery of drugs, macromolecules and cells.

    Science.gov (United States)

    Diab, Roudayna; Canilho, Nadia; Pavel, Ileana A; Haffner, Fernanda B; Girardon, Maxime; Pasc, Andreea

    2017-04-20

    According to the US Food and Drug Administration and the European Food Safety Authority, amorphous forms of silica and silicates are generally recognized to be safe as oral delivery ingredients in amounts up to 1500mg per day. Silica is used in the formulation of solid dosage forms, e.g. tablets, as glidant or lubricant. The synthesis of silica-based materials depends on the payload nature, drug, macromolecule or cell, and on the target release (active or passive). In the literature, most of the examples deal with the encapsulation of drugs in mesoporous silica nanoparticles. Still to date limited reports concerning the delivery of encapsulated macromolecules and cells have been reported in the field of oral delivery, despite the multiple promising examples demonstrating the compatibility of the sol-gel route with biological entities, likewise the interest of silica as an oral carrier. Silica diatoms appear as an elegant, cost-effective and promising alternative to synthetic sol-gel-based materials. This review reports the latest advances silica-based systems and discusses the potential benefits and drawbacks of using silica for oral delivery of drugs, macromolecules or cells. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Diffusion profile of macromolecules within and between human skin layers for (trans)dermal drug delivery.

    Science.gov (United States)

    Römgens, Anne M; Bader, Dan L; Bouwstra, Joke A; Baaijens, Frank P T; Oomens, Cees W J

    2015-10-01

    Delivering a drug into and through the skin is of interest as the skin can act as an alternative drug administration route for oral delivery. The development of new delivery methods, such as microneedles, makes it possible to not only deliver small molecules into the skin, which are able to pass the outer layer of the skin in therapeutic amounts, but also macromolecules. To provide insight into the administration of these molecules into the skin, the aim of this study was to assess the transport of macromolecules within and between its various layers. The diffusion coefficients in the epidermis and several locations in the papillary and reticular dermis were determined for fluorescein dextran of 40 and 500 kDa using a combination of fluorescent recovery after photobleaching experiments and finite element analysis. The diffusion coefficient was significantly higher for 40 kDa than 500 kDa dextran, with median values of 23 and 9 µm(2)/s in the dermis, respectively. The values only marginally varied within and between papillary and reticular dermis. For the 40 kDa dextran, the diffusion coefficient in the epidermis was twice as low as in the dermis layers. The adopted method may be used for other macromolecules, which are of interest for dermal and transdermal drug delivery. The knowledge about diffusion in the skin is useful to optimize (trans)dermal drug delivery systems to target specific layers or cells in the human skin. Copyright © 2015 Elsevier Ltd. All rights reserved.

  3. Formation and characterization of calcium orthophosphates in the presence of two different acidic macromolecules

    Science.gov (United States)

    Pelin, Irina M.; Maier, Vasilica; Suflet, Dana M.; Popescu, Irina; Darie-Nita, Raluca N.; Aflori, Magdalena; Butnaru, Maria

    2017-10-01

    The synthetic nanocrystalline calcium orthophosphates have a notable bioactivity due to the chemical similarity with biological apatite from calcified tissues. In mineralized tissues, the highly ordered structures come from organized assemblies of biomacromolecules and inorganic nanoparticles. One of the purposes of this work was to study the effect of two types of acidic macromolecules: atelocollagen and phosphorylated curdlan onto calcium orthophosphates formation after 30 days of maturation at 2 ± 2 °C. The resulted samples after a long aging time, either calcium orthophosphates or composites, were first investigated by FT-IR spectroscopy and X-ray diffractometry and the results indicated that precipitated hydroxyapatite with low crystallinity was obtained when the synthesis was performed in the presence of phosphorylated curdlan. The macromolecules influenced the morphology of the particles as shown by scanning and transmission electron microscopy. The presence of macromolecules as demonstrated by thermal investigation also influenced the rheological properties of the samples. The second purpose of the work was to evaluate the cytotoxicity of the samples using the MTT assay, and the results revealed very good cells viability. The preliminary results are encouraging regarding the use of these materials for further tests in order to develop injectable bone substitutes.

  4. Nasal Absorption of Macromolecules from Powder Formulations and Effects of Sodium Carboxymethyl Cellulose on Their Absorption

    Science.gov (United States)

    Tanaka, Akiko; Furubayashi, Tomoyuki; Matsushita, Akifumi; Inoue, Daisuke; Kimura, Shunsuke; Katsumi, Hidemasa; Sakane, Toshiyasu; Yamamoto, Akira

    2016-01-01

    The nasal absorption of macromolecules from powder formulations and the effect of sodium carboxymethyl cellulose (CMC-Na) as a pharmaceutical excipient on their absorption were studied. Model macromolecules were fluorescein isothiocyanate-labeled dextran (average molecular weight of 4.4kDa, FD4) and insulin. The plasma concentration of FD4 after application of the powder containing 50% starch (control) was higher than that after application of the solution, and the absorption from 50% starch powder was enhanced by the substitution of starch with CMC-Na. The fractional absorption of FD4 after administration of the CMC-Na powder formulation was 30% and 40% higher than that after administration from the solution and the starch powder, respectively. The nasal absorption of insulin from the powder and the effect of CMC-Na were similar with those of FD4. The effective absorption of FD4 and insulin after application of powder with CMC-Na could be due to the increase in the nasal residence of FD4 and insulin. No damage in the nasal mucosa or dysfunction of the mucociliary clearance was observed after application of the drug powder and CMC-Na. The present findings indicate that nasal delivery of powder formulations with the addition of CMC-Na as an excipient is a promising approach for improving the nasal absorption of macromolecules. PMID:27598527

  5. Size and average density spectra of macromolecules obtained from hydrodynamic data.

    Science.gov (United States)

    Pavlov, G M

    2007-02-01

    It is proposed to normalize the Mark-Kuhn-Houwink-Sakurada type of equation relating the hydrodynamic characteristics, such as intrinsic viscosity, velocity sedimentation coefficient and translational diffusion coefficient of linear macromolecules to their molecular masses for the values of linear density M(L) and the statistical segment length A. When the set of data covering virtually all known experimental information is normalized for M(L), it is presented as a size spectrum of linear polymer molecules. Further normalization for the A value reduces all data to two regions: namely the region exhibiting volume interactions and that showing hydrodynamic draining. For chains without intachain excluded volume effects these results may be reproduced using the Yamakawa-Fujii theory of wormlike cylinders. Data analyzed here cover a range of contour lengths of linear chains varying by three orders of magnitude, with the range of statistical segment lengths varying approximately 500 times. The plot of the dependence of [eta]M on M represents the spectrum of average specific volumes occupied by linear and branched macromolecules. Dendrimers and globular proteins for which the volume occupied by the molecule in solution is directly proportional to M have the lowest specific volume. The homologous series of macromolecules in these plots are arranged following their fractal dimensionality.

  6. Capturing Near Earth Objects

    OpenAIRE

    Baoyin, Hexi; CHEN Yang; Li, Junfeng

    2011-01-01

    Recently, Near Earth Objects (NEOs) have been attracting great attention, and thousands of NEOs have been found to date. This paper examines the NEOs' orbital dynamics using the framework of an accurate solar system model and a Sun-Earth-NEO three-body system when the NEOs are close to Earth to search for NEOs with low-energy orbits. It is possible for such an NEO to be temporarily captured by Earth; its orbit would thereby be changed and it would become an Earth-orbiting object after a small...

  7. Lunar Sulfur Capture System Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The Lunar Sulfur Capture System (LSCS) is an innovative method to capture greater than 90 percent of sulfur gases evolved during thermal treatment of lunar soils....

  8. Double-electron capture in relativistic U{sup 92+} collisions at the ESR gas-jet target

    Energy Technology Data Exchange (ETDEWEB)

    Bednarz, G. E-mail: d.sierpowski@gsi.deufsierpo@if.uj.edu.pl; Sierpowski, D.; Stoehlker, Th.; Warczak, A.; Beyer, H.; Bosch, F.; Braeuning-Demian, A.; Braeuning, H.; Cai, X.; Gumberidze, A.; Hagmann, S.; Kozhuharov, C.; Liesen, D.; Ma, X.; Mokler, P.H.; Muthig, A.; Stachura, Z.; Toleikis, S

    2003-05-01

    Total cross-sections for radiative single- and double-electron capture are measured in collisions of fast highly charged ions with light target atoms. Cross-sections for non-correlated double capture are in accordance with theoretical predictions. No significant line structure at twice the single K-radiative electron capture (K-REC) photon energy was observed. Angular distributions single K-REC photons associated with single- and double-charge exchange exhibit the same pattern. The corresponding REC lines are almost by a factor of two broader for double-charge exchange than in the single capture case.

  9. Polysulfide intercalated layered double hydroxides for metal capture applications

    Science.gov (United States)

    Kanatzidis, Mercouri G.; Ma, Shulan

    2017-04-04

    Polysulfide intercalated layered double hydroxides and methods for their use in vapor and liquid-phase metal capture applications are provided. The layered double hydroxides comprise a plurality of positively charged host layers of mixed metal hydroxides separated by interlayer spaces. Polysulfide anions are intercalated in the interlayer spaces.

  10. ELECTRON-CAPTURE AND EXCITATION IN HE-2+-NA COLLISIONS

    NARCIS (Netherlands)

    SCHLATMANN, AR; HOEKSTRA, R; FOLKERTS, HO; MORGENSTERN, R

    1992-01-01

    State-selective charge transfer and target excitation in collisions of He2+ ions with Na has been studied by means of far ultraviolet and visible light spectroscopy. Generally, the experimental results confirm the theoretical predictions by Shingal, Noble and Bransden for electron capture and for

  11. EVOLUTION OF IONS AFTER MULTIPLE ELECTRON-CAPTURE FROM SURFACES

    NARCIS (Netherlands)

    MORGENSTERN, R; DAS, J

    1993-01-01

    A comparison is made of the electronic processes which occur when a multiply charged ion is approaching an atomic target on the one hand or a metal surface on the other hand. In both caws three collision phases can be identified: those of attraction, of electron capture and of decay in the vacuum; i

  12. Polysulfide intercalated layered double hydroxides for metal capture applications

    Energy Technology Data Exchange (ETDEWEB)

    Kanatzidis, Mercouri G.; Ma, Shulan

    2017-04-04

    Polysulfide intercalated layered double hydroxides and methods for their use in vapor and liquid-phase metal capture applications are provided. The layered double hydroxides comprise a plurality of positively charged host layers of mixed metal hydroxides separated by interlayer spaces. Polysulfide anions are intercalated in the interlayer spaces.

  13. Criticality and Connectivity in Macromolecular Charge Complexation

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Jian; de Pablo, Juan J.

    2016-11-04

    We examine the role of molecular connectivity and architecture on the complexation of ionic macromolecules (polyelectrolytes) of finite size. A unified framework is developed and applied to evaluate the electrostatic correlation free energy for point-like, rod-like, and coil-like molecules. That framework is generalized to molecules of variable fractal dimensions, including dendrimers. Analytical expressions for the free energy, correlation length, and osmotic pressure are derived, thereby enabling consideration of the effects of charge connectivity, fractal dimension, and backbone stiffness on the complexation behavior of a wide range of polyelectrolytes. Results are presented for regions in the immediate vicinity of the critical region and far from it. A transparent and explicit expression for the coexistence curve is derived in order to facilitate analysis of experimentally observed phase diagrams.

  14. Neutron capture reactions at DANCE

    Science.gov (United States)

    Bredeweg, T. A.

    2008-05-01

    The Detector for Advanced Neutron Capture Experiments (DANCE) is a 4π BaF2 array consisting of 160 active detector elements. The primary purpose of the array is to perform neutron capture cross section measurements on small (>~100 μg) and/or radioactive (DANCE we have performed neutron capture cross section measurements on a wide array of medium to heavy mass nuclides. Measurements to date include neutron capture cross sections on 241,243Am, neutron capture and neutron-induced fission cross sections and capture-to-fission ratio (α = σγ/σf) for 235U using a new fission-tagging detector as well as neutron capture cross sections for several astrophysics branch-point nuclei. Results from several of these measurements will be presented along with a discussion of additional physics information that can be extracted from the DANCE data.

  15. Robust automated knowledge capture.

    Energy Technology Data Exchange (ETDEWEB)

    Stevens-Adams, Susan Marie; Abbott, Robert G.; Forsythe, James Chris; Trumbo, Michael Christopher Stefan; Haass, Michael Joseph; Hendrickson, Stacey M. Langfitt

    2011-10-01

    This report summarizes research conducted through the Sandia National Laboratories Robust Automated Knowledge Capture Laboratory Directed Research and Development project. The objective of this project was to advance scientific understanding of the influence of individual cognitive attributes on decision making. The project has developed a quantitative model known as RumRunner that has proven effective in predicting the propensity of an individual to shift strategies on the basis of task and experience related parameters. Three separate studies are described which have validated the basic RumRunner model. This work provides a basis for better understanding human decision making in high consequent national security applications, and in particular, the individual characteristics that underlie adaptive thinking.

  16. Capturing the uncultivated majority

    Energy Technology Data Exchange (ETDEWEB)

    Green, Brian D.; Keller, Martin

    2007-04-02

    The metagenomic analysis of environmental microbialcommunities continues to be a rapidly developing area of study. DNAisolation, the first step in capturing the uncultivated majority, hasseen many advances in recent years. Protocols have been developed todistinguish DNA from live versus dead cells and to separate extracellularfrom intracellular DNA. Looking to increase our understanding of the rolethat members of a microbial community play in ecological processes,several techniques have been developed that are enabling greater indepthanalysis of environmental metagenomes. These include the development ofenvironmental gene tags and the serial analysis of 16S rRNA gene sequencetags. In addition, new screening methods have been designed to select forspecific functional genes within metagenomic libraries. Finally, newcultivation methods continue to be developed to improve our ability tocapture a greater diversity of microorganisms within theenvironment.

  17. Capturing the Daylight Dividend

    Energy Technology Data Exchange (ETDEWEB)

    Peter Boyce; Claudia Hunter; Owen Howlett

    2006-04-30

    Capturing the Daylight Dividend conducted activities to build market demand for daylight as a means of improving indoor environmental quality, overcoming technological barriers to effective daylighting, and informing and assisting state and regional market transformation and resource acquisition program implementation efforts. The program clarified the benefits of daylight by examining whole building systems energy interactions between windows, lighting, heating, and air conditioning in daylit buildings, and daylighting's effect on the human circadian system and productivity. The project undertook work to advance photosensors, dimming systems, and ballasts, and provided technical training in specifying and operating daylighting controls in buildings. Future daylighting work is recommended in metric development, technology development, testing, training, education, and outreach.

  18. Conformational transformations induced by the charge-curvature interaction: Mean-field approach

    DEFF Research Database (Denmark)

    Gaididei, Yu B.; Christiansen, Peter Leth; Zakrzewski, W.J.

    2006-01-01

    A simple phenomenological model for describing the conformational dynamics of biological macromolecules via the nonlinearity-induced instabilities is proposed. It is shown that the interaction between charges and bending degrees of freedom of closed molecular aggregates may act as drivers giving ...... impetus to conformational dynamics of biopolymers. It is demonstrated that initially circular aggregates may undergo transformation to polygonal shapes and possible application to aggregates of bacteriochlorophyl a molecules is considered....

  19. Conformation of charged vesicles: the Debye Huckel and the low curvature limit

    Science.gov (United States)

    Sinha, Kumari Priti; Thaokar, Rochish M., , Prof.

    The shape as well as tension and pressure inside an uncharged vesicle are determined by the reduced volume. These parameters are important for a vesicle or a biological cell, since it can affect bio-physical processes such as osmosis and permeation, interaction with external agents such as bio- macromolecules and thermal fluctuations of the bilayer membrane of a vesicle. Charged membranes are ubiquitous in nature, most biological cell bio-membranes are charged, and therefore the knowledge of shape, tension and pressure of charged vesicles is critical. Additionally, the distribution of charges in the inner and outer leaflets is also important as it can affect the spatial interaction of a bilayer membrane with proteins. This work addresses these issues in the low charge and curvature limit. Our analysis indicates that despite a very strong two-way coupling between the charge and the curvature, the shapes of charged vesicles remain similar to that of uncharged vesicles at comparable reduced volumes, even for reasonable values of total charge. However, the tension and pressure values are higher, and are accurately estimated. Similarly the charge distribution on the outer and inner leaflet is strongly affected by the curvature. The value of spontaneous curvature due to charge redistribution is estimated. The insensitivity of the shape to charges persists even when only the outer leaflet is charged instead of charged inner and outer leaflets

  20. CHARGE Association

    Directory of Open Access Journals (Sweden)

    Semanti Chakraborty

    2012-01-01

    Full Text Available We present here a case of 17-year-old boy from Kolkata presenting with obesity, bilateral gynecomastia, mental retardation, and hypogonadotrophic hypogonadism. The patient weighed 70 kg and was of 153 cm height. Facial asymmetry (unilateral facial palsy, gynecomastia, decreased pubic and axillary hair, small penis, decreased right testicular volume, non-palpable left testis, and right-sided congenital inguinal hernia was present. The patient also had disc coloboma, convergent squint, microcornea, microphthalmia, pseudohypertelorism, low set ears, short neck, and choanalatresia. He had h/o VSD repaired with patch. Laboratory examination revealed haemoglobin 9.9 mg/dl, urea 24 mg/dl, creatinine 0.68 mg/dl. IGF1 77.80 ng/ml (decreased for age, GH <0.05 ng/ml, testosterone 0.25 ng/ml, FSH-0.95 ΅IU/ml, LH 0.60 ΅IU/ml. ACTH, 8:00 A.M cortisol, FT3, FT4, TSH, estradiol, DHEA-S, lipid profile, and LFT was within normal limits. Prolactin was elevated at 38.50 ng/ml. The patient′s karyotype was 46XY. Echocardiography revealed ventricularseptal defect closed with patch, grade 1 aortic regurgitation, and ejection fraction 67%. Ultrasound testis showed small right testis within scrotal sac and undescended left testis within left inguinal canal. CT scan paranasal sinuses revealed choanalatresia and deviation of nasal septum to the right. Sonomammography revealed bilateral proliferation of fibroglandular elements predominantly in subareoalar region of breasts. MRI of brain and pituitary region revealed markedly atrophic pituitary gland parenchyma with preserved infundibulum and hypothalamus and widened suprasellar cistern. The CHARGE association is an increasingly recognized non-random pattern of congenital anomalies comprising of coloboma, heart defect, choanal atresia, retarded growth and development, genital hypoplasia, ear abnormalities, and/or deafness. [1] These anomalies have a higher probability of occurring together. In this report, we have

  1. Fingerprints of charge exchange between He2+ and water molecules

    NARCIS (Netherlands)

    Bodewits, D.; Tielens, A.G.G.M.; Morgenstern, R.W.H.; Hoekstra, R.A.

    We have measured state selective cross sections for single and double charge exchange of He2+ and water molecules at velocities of 500-1000 km/s. The cross sections for single electron capture into the HeII(2p) state are much larger than those for double electron capture into the HeI(1s2p) state.

  2. Controls of ionic strength and macromolecule chemistry on calcite nucleation: Salinity and ion hydration as levers for regulating biomineralization

    Science.gov (United States)

    Dove, P. M.; Giuffre, A. J.; Mergelsberg, S. T.; Han, N.; De Yoreo, J. J.

    2016-12-01

    Organisms form shells and skeletons with remarkable fidelity by controlling the timing and placement of the minerals that nucleate and subsequently grow. An extensive effort has identified features of the organic matrix that regulate this process. Recent measurements from our group show the energy barrier to nucleation onto polysaccharide (PS) substrates is dependent upon hydrophilicity through functional group chemistry and suggest that free energy of the macromolecule-liquid interface influences where and when mineral nucleation occurs (Giuffre et al., 2013, PNAS). The importance of interfacial free energy in regulating nucleation raises the question of whether local changes in salinity or electrolyte composition can be tuned to further modulate the onset of calcite nucleation. Using alginate (negatively charged by carboxyl groups) and chitosan (small positive charge by amine groups), the rate of calcite nucleation was measured at controlled supersaturations and pH as a function of NaCl concentration (65-600 mM). Analyses of the data show the thermodynamic barrier to calcite nucleation onto both types of PS increases with ionic strength. The evidence suggests this effect arises from an increasing concentration of solvated ions at the PS-water interface while also increasing the hydrophilic character of that interface; thus decreasing the substrate-liquid interfacial free energy. To test this explanation, a second group of nucleation experiments used a suite of electrolytes (alkali chlorides for alginate and sodium halides for chitosan) while holding ionic strength constant. Indeed, the nucleation barriers for calcite formation are electrolyte-specific and correlated with the hydration free energy of the ion. This suggests solvated electrolyte ions indirectly regulate calcite nucleation onto substrates through their competition with the substrate for water thereby influencing net interfacial free energy. These effects are consistent with the long

  3. Ions in mixed dielectric solvents: density profiles and osmotic pressure between charged interfaces.

    Science.gov (United States)

    Ben-Yaakov, Dan; Andelman, David; Harries, Daniel; Podgornik, Rudi

    2009-04-30

    The forces between charged macromolecules, usually given in terms of osmotic pressure, are highly affected by the intervening ionic solution. While in most theoretical studies the solution is treated as a homogeneous structureless dielectric medium, recent experimental studies concluded that, for a bathing solution composed of two solvents (binary mixture), the osmotic pressure between charged macromolecules is affected by the binary solvent composition. By adding local solvent composition terms to the free energy, we obtain a general expression for the osmotic pressure, in planar geometry and within the mean-field framework. The added effect is due to the permeability inhomogeneity and nonelectrostatic short-range interactions between the ions and solvents (preferential solvation). This effect is mostly pronounced at small distances and leads to a reduction in the osmotic pressure for macromolecular separations of the order 1-2 nm. Furthermore, it leads to a depletion of one of the two solvents from the charged macromolecules (modeled as planar interfaces). Lastly, by comparing the theoretical results with experimental ones, an explanation based on preferential solvation is offered for recent experiments on the osmotic pressure of DNA solutions.

  4. Capture and release of carriers in InGaAs/GaAs quantum dots

    DEFF Research Database (Denmark)

    Turchinovich, Dmitry; Porte, Henrik; Daghestani, N.;

    2009-01-01

    We observe the ultrafast capture and release of charge carriers in InGaAs/GaAs quantum dots (QDs) at room-temperature with time-resolved terahertz spectroscopy. For excitation into the barrier states, a decay of the photoinduced conductivity, due to capture of carriers into the nonconducting QD s...

  5. Advanced ensemble modelling of flexible macromolecules using X-ray solution scattering.

    Science.gov (United States)

    Tria, Giancarlo; Mertens, Haydyn D T; Kachala, Michael; Svergun, Dmitri I

    2015-03-01

    Dynamic ensembles of macromolecules mediate essential processes in biology. Understanding the mechanisms driving the function and molecular interactions of 'unstructured' and flexible molecules requires alternative approaches to those traditionally employed in structural biology. Small-angle X-ray scattering (SAXS) is an established method for structural characterization of biological macromolecules in solution, and is directly applicable to the study of flexible systems such as intrinsically disordered proteins and multi-domain proteins with unstructured regions. The Ensemble Optimization Method (EOM) [Bernadó et al. (2007 ▶). J. Am. Chem. Soc. 129, 5656-5664] was the first approach introducing the concept of ensemble fitting of the SAXS data from flexible systems. In this approach, a large pool of macromolecules covering the available conformational space is generated and a sub-ensemble of conformers coexisting in solution is selected guided by the fit to the experimental SAXS data. This paper presents a series of new developments and advancements to the method, including significantly enhanced functionality and also quantitative metrics for the characterization of the results. Building on the original concept of ensemble optimization, the algorithms for pool generation have been redesigned to allow for the construction of partially or completely symmetric oligomeric models, and the selection procedure was improved to refine the size of the ensemble. Quantitative measures of the flexibility of the system studied, based on the characteristic integral parameters of the selected ensemble, are introduced. These improvements are implemented in the new EOM version 2.0, and the capabilities as well as inherent limitations of the ensemble approach in SAXS, and of EOM 2.0 in particular, are discussed.

  6. Aqueous self-assembly of hydrophobic macromolecules with adjustable rigidity of the backbone.

    Science.gov (United States)

    Guan, Zhou; Liu, Dapeng; Lin, Jiaping; Wang, Xiaosong

    2017-08-02

    P(FpC3P) (Fp: CpFe(CO)2; C3P: propyl diphenyl phosphine) has a helical backbone, resulting from piano stool metal coordination geometry, which is rigid with intramolecular aromatic interaction of the phenyl groups. The macromolecule is hydrophobic, but the polarized CO groups can interact with water for aqueous self-assembly. The stiffness of P(FpC3P), which is adjustable by temperature, is an important factor influencing the morphologies of kinetically trapped assemblies. P(FpC3P)7 self-assembles in DMSO/water (10/90 by volume) into lamellae at 25 °C, vesicles at 40 °C and irregular aggregates at higher temperatures (60 and 70 °C). The colloidal stability decreases in the order of lamellae, vesicles and irregular aggregates. Dissipative particle dynamics (DPD) simulation reveals the same temperature-dependent self-assembled morphologies with an interior of hydrophobic aromatic groups covered with the metal coordination units. The rigid backbone at 25 °C accounts for the formation of the layered morphology, while the reduced rigidity of the same P(FpC3P)7 at 40 °C curves up the lamellae into vesicles. At a higher temperature (60 or 70 °C), P(FpC3P)7 behaves as a random coil without obvious amphiphilic segregation, resulting in irregular aggregates. The stiffness is, therefore, a crucial factor for the aqueous assembly of macromolecules without obvious amphiphilic segregation, which is reminiscent of the solution behavior observed for many hydrophobic biological macromolecules such as proteins.

  7. Advanced ensemble modelling of flexible macromolecules using X-ray solution scattering

    Directory of Open Access Journals (Sweden)

    Giancarlo Tria

    2015-03-01

    Full Text Available Dynamic ensembles of macromolecules mediate essential processes in biology. Understanding the mechanisms driving the function and molecular interactions of `unstructured' and flexible molecules requires alternative approaches to those traditionally employed in structural biology. Small-angle X-ray scattering (SAXS is an established method for structural characterization of biological macromolecules in solution, and is directly applicable to the study of flexible systems such as intrinsically disordered proteins and multi-domain proteins with unstructured regions. The Ensemble Optimization Method (EOM [Bernadó et al. (2007. J. Am. Chem. Soc. 129, 5656–5664] was the first approach introducing the concept of ensemble fitting of the SAXS data from flexible systems. In this approach, a large pool of macromolecules covering the available conformational space is generated and a sub-ensemble of conformers coexisting in solution is selected guided by the fit to the experimental SAXS data. This paper presents a series of new developments and advancements to the method, including significantly enhanced functionality and also quantitative metrics for the characterization of the results. Building on the original concept of ensemble optimization, the algorithms for pool generation have been redesigned to allow for the construction of partially or completely symmetric oligomeric models, and the selection procedure was improved to refine the size of the ensemble. Quantitative measures of the flexibility of the system studied, based on the characteristic integral parameters of the selected ensemble, are introduced. These improvements are implemented in the new EOM version 2.0, and the capabilities as well as inherent limitations of the ensemble approach in SAXS, and of EOM 2.0 in particular, are discussed.

  8. Impacts of Organic Macromolecules, Chlorophyll and Soot on Arctic Sea Ice

    Science.gov (United States)

    Ogunro, O. O.; Wingenter, O. W.; Elliott, S.; Flanner, M.; Dubey, M. K.

    2014-12-01

    Recent intensification of Arctic amplification can be strongly connected to positive feedback relating black carbon deposition to sea ice surface albedo. In addition to soot deposition on the ice and snow pack, ice algal chlorophyll is likely to compete as an absorber and redistributor of energy. Hence, solar radiation absorption by chlorophyll and some components of organic macromolecules in/under the ice column is currently being examined to determine the level of influence on predicted rate of ice loss. High amounts of organic macromolecules and chlorophyll are produced in global sea ice by the bottom microbial community and also in vertically distributed layers where substantial biological activities take place. Brine channeling in columnar ice can allow for upward flow of nutrients which leads to greater primary production in the presence of moderate light. Modeling of the sea-ice processes in tandem with experiments and field observations promises rapid progress in enhancing Arctic ice predictions. We are designing and conducting global climate model experiments to determine the impact of organic macromolecules and chlorophyll on Arctic sea ice. Influences on brine network permeability and radiation/albedo will be considered in this exercise. Absorption by anthropogenic materials such as soot and black carbon will be compared with that of natural pigments. We will indicate areas of soot and biological absorption dominance in the sense of single scattering, then couple into a full radiation transfer scheme to attribute the various contributions to polar climate change amplification. The work prepares us to study more traditional issues such as chlorophyll warming of the pack periphery and chemical effects of the flow of organics from ice internal communities. The experiments started in the Arctic will broaden to include Antarctic sea ice and shelves. Results from the Arctic simulations will be presented.

  9. Trojan capture by terrestrial planets

    CERN Document Server

    Schwarz, Richard

    2016-01-01

    The paper is devoted to investigate the capture of asteroids by Venus, Earth and Mars into the 1:1 mean motion resonance especially into Trojan orbits. Current theoretical studies predict that Trojan asteroids are a frequent by-product of the planet formation. This is not only the case for the outer giant planets, but also for the terrestrial planets in the inner Solar System. By using numerical integrations, we investigated the capture efficiency and the stability of the captured objects. We found out that the capture efficiency is larger for the planets in the inner Solar System compared to the outer ones, but most of the captured Trojan asteroids are not long term stable. This temporary captures caused by chaotic behaviour of the objects were investigated without any dissipative forces. They show an interesting dynamical behaviour of mixing like jumping from one Lagrange point to the other one.

  10. Captured by Aliens

    Science.gov (United States)

    Achenbach, Joel

    2000-03-01

    Captured by Aliens is a long and twisted voyage from science to the supernatural and back again. I hung out in Roswell, N.M., spent time with the Mars Society, met a guy who was figuring out the best way to build a spaceship to go to Alpha Centauri. I visited the set of the X-Files and talked to Mulder and Scully. One day over breakfast I was told by NASA administrator Dan Goldin, We live in a fog, man! He wants the big answers to the big questions. I spent a night in the base of a huge radio telescope in the boondocks of West Virginia, awaiting the signal from the aliens. I was hypnotized in a hotel room by someone who suspected that I'd been abducted by aliens and that this had triggered my interest in the topic. In the last months of his life, I talked to Carl Sagan, who believed that the galaxy riots with intelligent civilizations. He's my hero, for his steadfast adherence to the scientific method. What I found in all this is that the big question that needs immediate attention is not what's out THERE, but what's going on HERE, on Earth, and why we think the way we do, and how we came to be here in the first place.

  11. Inland capture fisheries.

    Science.gov (United States)

    Welcomme, Robin L; Cowx, Ian G; Coates, David; Béné, Christophe; Funge-Smith, Simon; Halls, Ashley; Lorenzen, Kai

    2010-09-27

    The reported annual yield from inland capture fisheries in 2008 was over 10 million tonnes, although real catches are probably considerably higher than this. Inland fisheries are extremely complex, and in many cases poorly understood. The numerous water bodies and small rivers are inhabited by a wide range of species and several types of fisher community with diversified livelihood strategies for whom inland fisheries are extremely important. Many drivers affect the fisheries, including internal fisheries management practices. There are also many drivers from outside the fishery that influence the state and functioning of the environment as well as the social and economic framework within which the fishery is pursued. The drivers affecting the various types of inland water, rivers, lakes, reservoirs and wetlands may differ, particularly with regard to ecosystem function. Many of these depend on land-use practices and demand for water which conflict with the sustainability of the fishery. Climate change is also exacerbating many of these factors. The future of inland fisheries varies between continents. In Asia and Africa the resources are very intensely exploited and there is probably little room for expansion; it is here that resources are most at risk. Inland fisheries are less heavily exploited in South and Central America, and in the North and South temperate zones inland fisheries are mostly oriented to recreation rather than food production.

  12. Capture-recapture methodology

    Science.gov (United States)

    Gould, William R.; Kendall, William L.

    2013-01-01

    Capture-recapture methods were initially developed to estimate human population abundance, but since that time have seen widespread use for fish and wildlife populations to estimate and model various parameters of population, metapopulation, and disease dynamics. Repeated sampling of marked animals provides information for estimating abundance and tracking the fate of individuals in the face of imperfect detection. Mark types have evolved from clipping or tagging to use of noninvasive methods such as photography of natural markings and DNA collection from feces. Survival estimation has been emphasized more recently as have transition probabilities between life history states and/or geographical locations, even where some states are unobservable or uncertain. Sophisticated software has been developed to handle highly parameterized models, including environmental and individual covariates, to conduct model selection, and to employ various estimation approaches such as maximum likelihood and Bayesian approaches. With these user-friendly tools, complex statistical models for studying population dynamics have been made available to ecologists. The future will include a continuing trend toward integrating data types, both for tagged and untagged individuals, to produce more precise and robust population models.

  13. Small and Wide Angle X-ray Scattering studies of biological macromolecules in solution.

    Science.gov (United States)

    Liu, Li; Boldon, Lauren; Urquhart, Melissa; Wang, Xiangyu

    2013-01-08

    In this paper, Small and Wide Angle X-ray Scattering (SWAXS) analysis of macromolecules is demonstrated through experimentation. SWAXS is a technique where X-rays are elastically scattered by an inhomogeneous sample in the nm-range at small angles (typically 0.1 - 5°) and wide angles (typically > 5°). This technique provides information about the shape, size, and distribution of macromolecules, characteristic distances of partially ordered materials, pore sizes, and surface-to-volume ratio. Small Angle X-ray Scattering (SAXS) is capable of delivering structural information of macromolecules between 1 and 200 nm, whereas Wide Angle X-ray Scattering (WAXS) can resolve even smaller Bragg spacing of samples between 0.33 nm and 0.49 nm based on the specific system setup and detector. The spacing is determined from Bragg's law and is dependent on the wavelength and incident angle. In a SWAXS experiment, the materials can be solid or liquid and may contain solid, liquid or gaseous domains (so-called particles) of the same or another material in any combination. SWAXS applications are very broad and include colloids of all types: metals, composites, cement, oil, polymers, plastics, proteins, foods, and pharmaceuticals. For solid samples, the thickness is limited to approximately 5 mm. Usage of a lab-based SWAXS instrument is detailed in this paper. With the available software (e.g., GNOM-ATSAS 2.3 package by D. Svergun EMBL-Hamburg and EasySWAXS software) for the SWAXS system, an experiment can be conducted to determine certain parameters of interest for the given sample. One example of a biological macromolecule experiment is the analysis of 2 wt% lysozyme in a water-based aqueous buffer which can be chosen and prepared through numerous methods. The preparation of the sample follows the guidelines below in the Preparation of the Sample section. Through SWAXS experimentation, important structural parameters of lysozyme, e.g. the radius of gyration, can be analyzed.

  14. Controlled uniform coating from the interplay of Marangoni flows and surface-adsorbed macromolecules

    CERN Document Server

    Kim, Hyoungsoo; Um, Eujin; Jacobi, Ian; Button, Ernie; Stone, Howard A

    2016-01-01

    Surface coatings and patterning technologies are essential for various physicochemical applications. In this Letter, we describe key parameters to achieve uniform particle coatings in binary solutions: First, multiple sequential Marangoni flows, set by solute and surfactant simultaneously, prevent non-uniform particle distributions and continuously mix suspended materials during droplet evaporation. Second, we show the importance of particle-surface interactions that can be established by surface-adsorbed macromolecules. To achieve a uniform deposit in a binary mixture a small concentration of surfactant and surface-adsorbed polymer (0.05 wt% each) is sufficient, which offers a new physicochemical avenue for control of coatings.

  15. Differential scanning calorimetry: An invaluable tool for a detailed thermodynamic characterization of macromolecules and their interactions

    Directory of Open Access Journals (Sweden)

    Michael H Chiu

    2011-01-01

    Full Text Available Differential Scanning Calorimetry (DSC is a highly sensitive technique to study the thermotropic properties of many different biological macromolecules and extracts. Since its early development, DSC has been applied to the pharmaceutical field with excipient studies and DNA drugs. In recent times, more attention has been applied to lipid-based drug delivery systems and drug interactions with biomimetic membranes. Highly reproducible phase transitions have been used to determine values, such as, the type of binding interaction, purity, stability, and release from a drug delivery mechanism. This review focuses on the use of DSC for biochemical and pharmaceutical applications.

  16. Differential scanning calorimetry: An invaluable tool for a detailed thermodynamic characterization of macromolecules and their interactions

    Science.gov (United States)

    Chiu, Michael H.; Prenner, Elmar J.

    2011-01-01

    Differential Scanning Calorimetry (DSC) is a highly sensitive technique to study the thermotropic properties of many different biological macromolecules and extracts. Since its early development, DSC has been applied to the pharmaceutical field with excipient studies and DNA drugs. In recent times, more attention has been applied to lipid-based drug delivery systems and drug interactions with biomimetic membranes. Highly reproducible phase transitions have been used to determine values, such as, the type of binding interaction, purity, stability, and release from a drug delivery mechanism. This review focuses on the use of DSC for biochemical and pharmaceutical applications. PMID:21430954

  17. Macromolecules Mimicking Backbones of Nucleic and Teichoic Acids.Synthesis,Some Properties and Applications

    Institute of Scientific and Technical Information of China (English)

    Stanislaw; Penczek; Julia; B.Pretula; Krzysztof; Kaluzynski

    2007-01-01

    1 Results Several methods have been elaborated in this laboratory allowing preparation of macromolecules with phosphodiester bonds,and having sequence of atoms similar as in the chains of biomacromolecules - nucleic or teichoic acids (TA),namely:-(C)n-O-PO-,where n=2 (for teichoic acids) or 3.These methods,to be discussed in the lecture,are based on the ring-opening polymerization,transesterification,and recently elaborated direct addition of phosphoric acid to diepoxides.For the first time an attempt h...

  18. Interactions between macromolecule-bound antioxidants and Trolox during liposome autoxidation

    DEFF Research Database (Denmark)

    Celik, Ecem Evrim; Amigo Rubio, Jose Manuel; Andersen, Mogens Larsen

    2017-01-01

    The interactions between free and macromolecule-bound antioxidants were investigated in order to evaluate their combined effects on the antioxidant environment. Dietary fiber (DF), protein and lipid-bound antioxidants, obtained from whole wheat, soybean and olive oil products, respectively...... of the simple addition effects of Trolox and bound antioxidants with measured values on lipid oxidation revealed synergetic interactions for DF and refined olive oil-bound antioxidants, and antagonistic interactions for protein and extra virgin olive oil-bound antioxidants with Trolox. A generalized version...

  19. The Generic Data Capture Facility

    Science.gov (United States)

    Connell, Edward B.; Barnes, William P.; Stallings, William H.

    The Generic Data Capture Facility, which can provide data capture support for a variety of different types of spacecraft while enabling operations costs to be carefully controlled, is discussed. The data capture functions, data protection, isolation of users from data acquisition problems, data reconstruction, and quality and accounting are addressed. The TDM and packet data formats utilized by the system are described, and the development of generic facilities is considered.

  20. Resource capture by single leaves

    Energy Technology Data Exchange (ETDEWEB)

    Long, S.P.

    1992-05-01

    Leaves show a variety of strategies for maximizing CO{sub 2} and light capture. These are more meaningfully explained if they are considered in the context of maximizing capture relative to the utilization of water, nutrients and carbohydrates reserves. There is considerable variation between crops in their efficiency of CO{sub 2} and light capture at the leaf level. Understanding of these mechanisms indicate some ways in which efficiency of resource capture could be level cannot be meaningfully considered without simultaneous understanding of implications at the canopy level. 36 refs., 5 figs., 1 tab.

  1. Workplace Charging. Charging Up University Campuses

    Energy Technology Data Exchange (ETDEWEB)

    Giles, Carrie [ICF International, Fairfax, VA (United States); Ryder, Carrie [ICF International, Fairfax, VA (United States); Lommele, Stephen [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2016-03-01

    This case study features the experiences of university partners in the U.S. Department of Energy's (DOE) Workplace Charging Challenge with the installation and management of plug-in electric vehicle (PEV) charging stations.

  2. Configurational diffusion of coal macromolecules. Final technical report, September 15, 1986--September 14, 1991

    Energy Technology Data Exchange (ETDEWEB)

    Guin, J.A.; Curtis, C.W.; Tarrer, A.R.; Kim, S.; Hwang, D.; Chen, C.C.; Chiou, Z.

    1991-12-31

    The objective of our research was to obtain fundamental information regarding the functional dependence of the diffusion coefficient of coal molecules on the ratio of molecule to pore diameter. That is, the objective of our study was to examine the effect of molecule size and configuration on hindered diffusion of coal macromolecules through as porous medium. To best accomplish this task, we circumvented the complexities of an actual porous catalyst by using a well defined porous matrix with uniform capillaric pores, i.e., a track-etched membrane. In this way, useful information was obtained regarding the relationship of molecular size and configuration on the diffusion rate of coal derived macromolecules through a pore structure with known geometry. Similar studies were performed using a pellet formed of porous alumina, to provide a link between the idealized membranes and the actual complex pore structure of real catalyst extrudates. The fundamental information from our study will be useful toward the tailoring of catalysts to minimize diffusional influences and thereby increase coal conversion and selectivity for desirable products. (VC)

  3. Toward detecting and identifying macromolecules in a cellular context: Template matching applied to electron tomograms

    Science.gov (United States)

    Böhm, Jochen; Frangakis, Achilleas S.; Hegerl, Reiner; Nickell, Stephan; Typke, Dieter; Baumeister, Wolfgang

    2000-01-01

    Electron tomography is the only technique available that allows us to visualize the three-dimensional structure of unfixed and unstained cells currently with a resolution of 6–8 nm, but with the prospect to reach 2–4 nm. This raises the possibility of detecting and identifying specific macromolecular complexes within their cellular context by virtue of their structural signature. Templates derived from the high-resolution structure of the molecule under scrutiny are used to search the reconstructed volume. Here we outline and test a computationally feasible two-step procedure: In a first step, mean-curvature motion is used for segmentation, yielding subvolumes that contain with a high probability macromolecules in the expected size range. Subsequently, the particles contained in the subvolumes are identified by cross-correlation, using a set of three-dimensional templates. With simulated and real tomographic data we demonstrate that such an approach is feasible and we explore the detection limits. Even structurally similar particles, such as the thermosome, GroEL, and the 20S proteasome can be identified with high fidelity. This opens up exciting prospects for mapping the territorial distribution of macromolecules and for analyzing molecular interactions in situ. PMID:11087814

  4. Development of a Non-Aqueous Dispersion to Improve Intestinal Epithelial Flux of Poorly Permeable Macromolecules.

    Science.gov (United States)

    Maher, Sam; Medani, Mekki; Carballeira, Nestor N; Winter, Desmond C; Baird, Alan W; Brayden, David J

    2017-01-01

    Intestinal permeation enhancers (PEs) offer an attractive strategy to enable oral peptide administration. However, optimal presentation of peptide and PE from solid-dosage forms is offset by slow dissolution rates in the small intestine, which reduces the likelihood that the PE can reach the threshold concentration for sufficient permeability enhancement. The purpose of this study was to design a PE-based liquid dispersion that can improve intestinal permeation of macromolecules across Caco-2 monolayers and isolated rat/human intestinal mucosae mounted in Ussing chambers. An enhancer screen in monolayers based on permeability (TEER, Papp [(14)C]-mannitol) and cytotoxicity (MTT assay) initially identified methyl 10-hydroxydecanoate (10-OHC10CH3) as a candidate. 10-OHC10CH3 (20 mM) increased the Papp of fluorescent dextran of 4 kDa (FD4) (167-fold), 10 kDa (FD10) (429-fold), and 40 kDa (FD40) (520-fold) across monolayers. Blends of 10-OHC10CH3 with low molecular weight PEGs (0.2-1 kDa) formed liquid dispersions in which enhancement capacity across monolayers of 10-OHC10CH3 was increased over 10-OHC10CH3 alone in the order PEG200 macromolecules.

  5. Improved Measurement of B(sub 22) of Macromolecules in a Flow Cell

    Science.gov (United States)

    Wilson, Wilbur; Fanguy, Joseph; Holman, Steven; Guo, Bin

    2008-01-01

    An improved apparatus has been invented for use in determining the osmotic second virial coefficient of macromolecules in solution. In a typical intended application, the macromolecules would be, more specifically, protein molecules, and the protein solution would be pumped through a flow cell to investigate the physical and chemical conditions that affect crystallization of the protein in question. Some background information is prerequisite to a meaningful description of the novel aspects of this apparatus. A method of determining B22 from simultaneous measurements of the static transmittance (taken as an indication of concentration) and static scattering of light from the same location in a flowing protein solution was published in 2004. The apparatus used to implement the method at that time included a dual-detector flow cell, which had two drawbacks: a) The amount of protein required for analysis of each solution condition was of the order of a milligram - far too large a quantity for a high-throughput analysis system, for which microgram or even nanogram quantities of protein per analysis are desirable. b) The design of flow cell was such that two light sources were used to probe different regions of the flowing solution. Consequently, the apparatus did not afford simultaneous measurements at the same location in the solution and, hence, did not guarantee an accurate determination of B22.

  6. Coupled Segmentation of Nuclear and Membrane-bound Macromolecules through Voting and Multiphase Level Set.

    Science.gov (United States)

    Chang, Hang; Wen, Quan; Parvin, Bahram

    2015-03-01

    Membrane-bound macromolecules play an important role in tissue architecture and cell-cell communication, and is regulated by almost one-third of the genome. At the optical scale, one group of membrane proteins expresses themselves as linear structures along the cell surface boundaries, while others are sequestered; and this paper targets the former group. Segmentation of these membrane proteins on a cell-by-cell basis enables the quantitative assessment of localization for comparative analysis. However, such membrane proteins typically lack continuity, and their intensity distributions are often very heterogeneous; moreover, nuclei can form large clump, which further impedes the quantification of membrane signals on a cell-by-cell basis. To tackle these problems, we introduce a three-step process to (i) regularize the membrane signal through iterative tangential voting, (ii) constrain the location of surface proteins by nuclear features, where clumps of nuclei are segmented through a delaunay triangulation approach, and (iii) assign membrane-bound macromolecules to individual cells through an application of multi-phase geodesic level-set. We have validated our method using both synthetic data and a dataset of 200 images, and are able to demonstrate the efficacy of our approach with superior performance.

  7. Effect of poly-L-arginine on intestinal absorption of hydrophilic macromolecules in rats.

    Science.gov (United States)

    Yamaki, Tsutomu; Uchida, Masaki; Kuwahara, Yusuke; Shimazaki, Yohei; Ohtake, Kazuo; Kimura, Mitsutoshi; Uchida, Hiroyuki; Kobayashi, Jun; Ogihara, Masahiko; Morimoto, Yasunori; Natsume, Hideshi

    2013-01-01

    We have already reported that poly-L-arginine (PLA) remarkably enhanced the in vivo nasal absorption of hydrophilic macromolecules without producing any significant epithelial damage in rats. In the present study, we examined whether PLA could enhance the absorption of a model hydrophilic macromolecule, fluorescein isothiocyanate-dextran (FD-4), across the intestinal mucosa, as well as the nasal mucosa, by an in situ closed-loop method using the rat intestine. PLA was found to enhance the intestinal absorption of FD-4 in a concentration-dependent manner within the concentrations investigated in this study, but segment-specific differences were found to be associated with this effect (ileum>jejunum>duodenum≧colon). The factors responsible for the segment-specific differences were also investigated by intestinal absorption studies using aprotinin, a trypsin inhibitor, and an analysis of the expression of occludin, a tight junction protein. In the small intestine, the differences in the effect of PLA on the absorption of FD-4 may be related to the enzymatic degradation of PLA. In the colon, the reduced effect of PLA on the absorption of FD-4 may be related to the smaller surface area for absorption and the higher expression of occludin compared with other segments.

  8. Complexation between a macromolecule and an amphiphile by Monte Carlo technique.

    Science.gov (United States)

    Gharibi, Hussein; Behjatmanesh-Ardakani, Reza; Hashemianzadeh, Majid; Mousavi-Khoshdel, Morteza

    2006-07-13

    Using a simple modified version of Larson's model, we studied the complexation between a macromolecule and an amphiphile in a dilute range of concentrations. The main characteristic of amphiphile molecules, that is, the hydrophobicity of the tails and hydrophilicity of the heads, is used to model the self-assembling process. Contrary to the molecular thermodynamics approaches, no prior shape was considered for the aggregates and the system was allowed to choose the most stable structure. For true ensemble averaging, without any synthetic results, configurational bias Monte Carlo and reptation moves are used to produce a Markov chain of configurations. From the results, it is found that the macromolecule causes the clusters of surfactants to be formed at a concentration much lower than the critical micelle concentration. Furthermore, the shape of the clusters tends to be more spherical, which is in line with theory and experiments. From the results, it is learned how a polymer can change the behavior of an amphiphilic molecule. All of the results are in good qualitative agreement with experimental and molecular thermodynamics results. Furthermore, the model predicts network formation between bound clusters at high concentrations of the surfactant.

  9. Combining modular ligation and supramolecular self-assembly for the construction of star-shaped macromolecules.

    Science.gov (United States)

    Altintas, Ozcan; Muller, Thierry; Lejeune, Elise; Plietzsch, Oliver; Bräse, Stefan; Barner-Kowollik, Christopher

    2012-06-14

    A well-defined random copolymer of styrene (S) and chloromethylstyrene (CMS) featuring lateral chlorine moieties with an alkyne terminal group is prepared (P(S-co-CMS), M(n) = 5500 Da, PDI = 1.13). The chloromethyl groups are converted into Hamilton wedge (HW) entities (P(S-co-HWS), M(n) = 6200 Da, PDI = 1.13). The P(S-co-HWS) polymer is subsequently ligated with tetrakis(4-azidophenyl)methane to give HW-functional star-shaped macromolecules (P(S-co-HWS))(4), M(n) = 25,100 Da, PDI = 1.08). Supramolecular star-shaped copolymers are then prepared via self-assembly between the HW-functionalized four-arm star-shaped macromolecules (P(S-co-HW))(4) and cyanuric acid (CA) end-functionalized PS (PS-CA, M(n) = 3700 Da, PDI = 1.04), CA end-functionalized poly(methyl methacrylate) (PMMA-CA, M(n) = 8500 Da, PDI = 1.13) and CA end-functionalized polyethylene glycol (PEG-CA, M(n) = 1700 Da, PDI = 1.05). The self-assembly is monitored by (1)H NMR spectroscopy and light scattering analyses.

  10. SETOR: hardware-lighted three-dimensional solid model representations of macromolecules.

    Science.gov (United States)

    Evans, S V

    1993-06-01

    SETOR is designed to exploit the hardware lighting capabilities of the IRIS-4D series graphics workstations to render high-quality raster images of macromolecules that can undergo rotation and translation interactively. SETOR can render standard all-atom and backbone models of proteins or nucleic acids, but focuses on displaying protein molecules by highlighting elements of secondary structure. The program has a very friendly user interface that minimizes the number of input files by allowing the user to interactively edit parameters, such as colors, lighting coefficients, and descriptions of secondary structure via mouse activated dialogue boxes. The choice of polymer chain representation can be varied from standard vector models and van der Waal models, to a B-spline fit of polymer backbones that yields a smooth ribbon that approximates the polymer chain, to strict Cardinal splines that interpolate the smoothest curve possible that will precisely follow the polymer chain. The program provides a photograph mode, save/restore facilities, and efficient generation of symmetry-related molecules and packing diagrams. Additionally, SETOR is designed to accept commands and model coordinates from the standard input stream, and to control standard output. Ancillary programs provide a method to interactively edit hardcopy plots of all vector and many solid models generated by SETOR, and to produce standard HPGL or PostScript files. Examples of figures rendered by SETOR of a number of macromolecules of various classes are presented.

  11. ConSurf 2016: an improved methodology to estimate and visualize evolutionary conservation in macromolecules.

    Science.gov (United States)

    Ashkenazy, Haim; Abadi, Shiran; Martz, Eric; Chay, Ofer; Mayrose, Itay; Pupko, Tal; Ben-Tal, Nir

    2016-07-08

    The degree of evolutionary conservation of an amino acid in a protein or a nucleic acid in DNA/RNA reflects a balance between its natural tendency to mutate and the overall need to retain the structural integrity and function of the macromolecule. The ConSurf web server (http://consurf.tau.ac.il), established over 15 years ago, analyses the evolutionary pattern of the amino/nucleic acids of the macromolecule to reveal regions that are important for structure and/or function. Starting from a query sequence or structure, the server automatically collects homologues, infers their multiple sequence alignment and reconstructs a phylogenetic tree that reflects their evolutionary relations. These data are then used, within a probabilistic framework, to estimate the evolutionary rates of each sequence position. Here we introduce several new features into ConSurf, including automatic selection of the best evolutionary model used to infer the rates, the ability to homology-model query proteins, prediction of the secondary structure of query RNA molecules from sequence, the ability to view the biological assembly of a query (in addition to the single chain), mapping of the conservation grades onto 2D RNA models and an advanced view of the phylogenetic tree that enables interactively rerunning ConSurf with the taxa of a sub-tree.

  12. Smooth deuterated cellulose films for the visualisation of adsorbed bio-macromolecules.

    Science.gov (United States)

    Su, Jielong; Raghuwanshi, Vikram S; Raverty, Warwick; Garvey, Christopher J; Holden, Peter J; Gillon, Marie; Holt, Stephen A; Tabor, Rico; Batchelor, Warren; Garnier, Gil

    2016-10-31

    Novel thin and smooth deuterated cellulose films were synthesised to visualize adsorbed bio-macromolecules using contrast variation neutron reflectivity (NR) measurements. Incorporation of varying degrees of deuteration into cellulose was achieved by growing Gluconacetobacter xylinus in deuterated glycerol as carbon source dissolved in growth media containing D2O. The derivative of deuterated cellulose was prepared by trimethylsilylation(TMS) in ionic liquid(1-butyl-3-methylimidazolium chloride). The TMS derivative was dissolved in toluene for thin film preparation by spin-coating. The resulting film was regenerated into deuterated cellulose by exposure to acidic vapour. A common enzyme, horseradish peroxidase (HRP), was adsorbed from solution onto the deuterated cellulose films and visualized by NR. The scattering length density contrast of the deuterated cellulose enabled accurate visualization and quantification of the adsorbed HRP, which would have been impossible to achieve with non-deuterated cellulose. The procedure described enables preparing deuterated cellulose films that allows differentiation of cellulose and non-deuterated bio-macromolecules using NR.

  13. Smooth deuterated cellulose films for the visualisation of adsorbed bio-macromolecules

    Science.gov (United States)

    Su, Jielong; Raghuwanshi, Vikram S.; Raverty, Warwick; Garvey, Christopher J.; Holden, Peter J.; Gillon, Marie; Holt, Stephen A.; Tabor, Rico; Batchelor, Warren; Garnier, Gil

    2016-10-01

    Novel thin and smooth deuterated cellulose films were synthesised to visualize adsorbed bio-macromolecules using contrast variation neutron reflectivity (NR) measurements. Incorporation of varying degrees of deuteration into cellulose was achieved by growing Gluconacetobacter xylinus in deuterated glycerol as carbon source dissolved in growth media containing D2O. The derivative of deuterated cellulose was prepared by trimethylsilylation(TMS) in ionic liquid(1-butyl-3-methylimidazolium chloride). The TMS derivative was dissolved in toluene for thin film preparation by spin-coating. The resulting film was regenerated into deuterated cellulose by exposure to acidic vapour. A common enzyme, horseradish peroxidase (HRP), was adsorbed from solution onto the deuterated cellulose films and visualized by NR. The scattering length density contrast of the deuterated cellulose enabled accurate visualization and quantification of the adsorbed HRP, which would have been impossible to achieve with non-deuterated cellulose. The procedure described enables preparing deuterated cellulose films that allows differentiation of cellulose and non-deuterated bio-macromolecules using NR.

  14. STUDY ON THE EFFECT OF POLYSTYRENE SULFONIC ACID MACROMOLECULES ON THE POLYMERIZATION OF ACRYLAMIDE

    Institute of Scientific and Technical Information of China (English)

    WANG Shenguo; XI Fu; LI Zhifen

    1983-01-01

    The effect of polystyrene sulfonic acid (PSSA) macromolecules on the polymerization of acrylamide (AM) has been studied. It was found that the rates of polymerization of AM were greatly increased in the presence of PSSA in the polymerization system. The maximum value of the rate of polymerization of AM was obtained when the ratio of[-SO3H]: [AM] reached 3:1. When the insoluble crosslinked PSSA was used instead of the soluble one, this effect decreased considerably. The interaction between molecules of PSSA and AM was determined by infrared spectroscopy, elementary analysis and X-ray photoelectron spectroscopy.The combination form, -SO3-NH3+ CO-, formed between sulfonic group and amide group was found to be existed since the infrared absorption band of -NH2 shifted from 3400 cm-1 to 3150cm-1, the binding energy of electron N1S changed from 399.7 eV to 401.3 eV, and the atomic ratio of N to S of the products was similar to the ratio of reagents. Based on these experimental results, the mechanism of AM polymerization in the presence of PSSA is proposed. The initial step is the combination of AM with sulfonic group to form -CONH3+, then followed by polymerization on the PSSA macromolecule. The role of PSSA on the polymerization of AM is discussed.

  15. Food macromolecule based nanodelivery systems for enhancing the bioavailability of polyphenols

    Directory of Open Access Journals (Sweden)

    Bing Hu

    2017-01-01

    Full Text Available Diet polyphenols—primarily categorized into flavonoids (e.g., flavonols, flavones, flavan-3-ols, anthocyanidins, flavanones, and isoflavones and nonflavonoids (with major subclasses of stilbenes and phenolic acids—are reported to have health-promoting effects, such as antioxidant, antiinflammatory, anticarcinoma, antimicrobial, antiviral, and cardioprotective properties. However, their applications in functional foods or medicine are limited because of their inefficient systemic delivery and poor oral bioavailability. Epigallocatechin-3-gallate, curcumin, and resveratrol are the well-known representatives of the bioactive diet polyphenols but with poor bioavailability. Food macromolecule based nanoparticles have been fabricated using reassembled proteins, crosslinked polysaccharides, protein–polysaccharide conjugates (complexes, as well as emulsified lipid via safe procedures that could be applied in food. The human gastrointestinal digestion tract is the first place where the food grade macromolecule nanoparticles exert their effects on improving the bioavailability of diet polyphenols, via enhancing their solubility, preventing their degradation in the intestinal environment, elevating the permeation in small intestine, and even increasing their contents in the bloodstream. We contend that the stability and structure behaviors of nanocarriers in the gastrointestinal tract environment and the effects of nanoencapsulation on the metabolism of polyphenols warrant more focused attention in further studies.

  16. Upgraded ESRF BM29 beamline for SAXS on macromolecules in solution

    Energy Technology Data Exchange (ETDEWEB)

    Pernot, Petra, E-mail: rejma@esrf.fr [ESRF, 6 Jules Horowitz, F-38043 Grenoble (France); Round, Adam [EMBL, 6 Jules Horowitz, F-38042 Grenoble (France); Barrett, Ray; De Maria Antolinos, Alejandro [ESRF, 6 Jules Horowitz, F-38043 Grenoble (France); Gobbo, Alexandre [EMBL, 6 Jules Horowitz, F-38042 Grenoble (France); Gordon, Elspeth [ESRF, 6 Jules Horowitz, F-38043 Grenoble (France); Huet, Julien [EMBL, 6 Jules Horowitz, F-38042 Grenoble (France); Kieffer, Jerôme; Lentini, Mario; Mattenet, Muriel; Morawe, Christian; Mueller-Dieckmann, Christoph; Ohlsson, Staffan; Schmid, Werner; Surr, John; Theveneau, Pascal; Zerrad, Louiza; McSweeney, Sean [ESRF, 6 Jules Horowitz, F-38043 Grenoble (France)

    2013-07-01

    A description of the new ESRF BioSAXS beamline is given. The beamline presented is dedicated to small-angle X-ray scattering of macromolecules in solution operating with a high-throughput sample-changer robot and automated data analysis for quality control and feedback. Small-angle X-ray scattering (SAXS) measurements of proteins in solution are becoming increasingly popular with biochemists and structural biologists owing to the presence of dedicated high-throughput beamlines at synchrotron sources. As part of the ESRF Upgrade program a dedicated instrument for performing SAXS from biological macromolecules in solution (BioSAXS) has been installed at the renovated BM29 location. The optics hutch has been equipped with new optical components of which the two principal elements are a fixed-exit double multilayer monochromator and a 1.1 m-long toroidal mirror. These new dedicated optics give improved beam characteristics (compared with the previous set-up on ID14-3) regarding the energy tunability, flux and focusing at the detector plane leading to reduced parasitic scattering and an extended s-range. User experiments on the beamline have been successfully carried out since June 2012. A description of the new BioSAXS beamline and the set-up characteristics are presented together with examples of obtained data.

  17. Ordered mesoporous polymer-silica hybrid nanoparticles as vehicles for the intracellular controlled release of macromolecules.

    Science.gov (United States)

    Kim, Tae-Wan; Slowing, Igor I; Chung, Po-Wen; Lin, Victor Shang-Yi

    2011-01-25

    A two-dimensional hexagonal ordered mesoporous polymer-silica hybrid nanoparticle (PSN) material was synthesized by polymerization of acrylate monomers on the surface of SBA-15 mesoporous silica nanoparticles. The structure of the PSN material was analyzed using a series of different techniques, including transmission electron microscopy, powder X-ray diffraction, and N(2) sorption analysis. These structurally ordered mesoporous polymer-silica hybrid nanoparticles were used for the controlled release of membrane-impermeable macromolecules inside eukaryotic cells. The cellular uptake efficiency and biocompatibility of PSN with human cervical cancer cells (HeLa) were investigated. Our results show that the inhibitory concentration (IC(50)) of PSN is very high (>100 μg/mL per million cells), while the median effective concentration for the uptake (EC(50)) of PSN is low (EC(50) = 4.4 μg/mL), indicating that PSNs are fairly biocompatible and easily up-taken in vitro. A membrane-impermeable macromolecule, 40 kDa FITC-Dextran, was loaded into the mesopores of PSNs at low pH. We demonstrated that the PSN material could indeed serve as a transmembrane carrier for the controlled release of FITC-Dextran at the pH level inside live HeLa cells. We believe that further developments of this PSN material will lead to a new generation of nanodevices for intracellular controlled delivery applications.

  18. A dural lymphatic vascular system that drains brain interstitial fluid and macromolecules.

    Science.gov (United States)

    Aspelund, Aleksanteri; Antila, Salli; Proulx, Steven T; Karlsen, Tine Veronica; Karaman, Sinem; Detmar, Michael; Wiig, Helge; Alitalo, Kari

    2015-06-29

    The central nervous system (CNS) is considered an organ devoid of lymphatic vasculature. Yet, part of the cerebrospinal fluid (CSF) drains into the cervical lymph nodes (LNs). The mechanism of CSF entry into the LNs has been unclear. Here we report the surprising finding of a lymphatic vessel network in the dura mater of the mouse brain. We show that dural lymphatic vessels absorb CSF from the adjacent subarachnoid space and brain interstitial fluid (ISF) via the glymphatic system. Dural lymphatic vessels transport fluid into deep cervical LNs (dcLNs) via foramina at the base of the skull. In a transgenic mouse model expressing a VEGF-C/D trap and displaying complete aplasia of the dural lymphatic vessels, macromolecule clearance from the brain was attenuated and transport from the subarachnoid space into dcLNs was abrogated. Surprisingly, brain ISF pressure and water content were unaffected. Overall, these findings indicate that the mechanism of CSF flow into the dcLNs is directly via an adjacent dural lymphatic network, which may be important for the clearance of macromolecules from the brain. Importantly, these results call for a reexamination of the role of the lymphatic system in CNS physiology and disease.

  19. Patterning surface by site selective capture of biopolymer hydrogel beads.

    Science.gov (United States)

    Guyomard-Lack, Aurélie; Moreau, Céline; Delorme, Nicolas; Marquis, Mélanie; Fang, Aiping; Bardeau, Jean-François; Cathala, Bernard

    2012-06-01

    This communication describes the fabrication of microstructured biopolymer surfaces by the site-selective capture of pectin hydrogel beads. A positively charged surface consisting of poly-L-lysine (PLL) was subjected to site-selective enzymatic degradation using patterned polydimethylsiloxane (PDMS) stamps covalently modified with trypsin, according to the recently described method. The patterned surface was used to capture ionically cross-linked pectin beads. The desired patterning of the hydrogel surfaces was generated by site-selective immobilization of these pectin beads. The ability of the hydrogels to be dried and swollen in water was assessed.

  20. On neutrinoless double electron capture

    CERN Document Server

    Drukarev, E G

    2016-01-01

    We found the probability for the neutrinoless double electron capture in the case of $KK$ capture. We clarified the mechanism of the energy transfer from the nucleus to the bound electrons. This enabled us to obtain the equations for the probability of the $2EC0\

  1. Muon capture on Chlorine-35

    CERN Document Server

    Arole, S; Gorringe, T P; Hasinoff, M D; Kovash, M A; Kuzmin, V; Moftah, B A; Sedlar, R; Stocki, T J; Tetereva, T

    2002-01-01

    We report measurements of $\\gamma$--ray spectra from muon capture on $^{35}$Cl. For the allowed Gamow--Teller transitions to the $^{35}$S$(2939, 3/2^+)$ state and the $^{35}$S$(3421, 5/2^+)$ state we obtained their capture rates, hyperfine dependences and $\\gamma$--$\

  2. Iodine neutron capture therapy

    Science.gov (United States)

    Ahmed, Kazi Fariduddin

    A new technique, Iodine Neutron Capture Therapy (INCT) is proposed to treat hyperthyroidism in people. Present thyroid therapies, surgical removal and 131I treatment, result in hypothyroidism and, for 131I, involve protracted treatment times and excessive whole-body radiation doses. The new technique involves using a low energy neutron beam to convert a fraction of the natural iodine stored in the thyroid to radioactive 128I, which has a 24-minute half-life and decays by emitting 2.12-MeV beta particles. The beta particles are absorbed in and damage some thyroid tissue cells and consequently reduce the production and release of thyroid hormones to the blood stream. Treatment times and whole-body radiation doses are thus reduced substantially. This dissertation addresses the first of the several steps needed to obtain medical profession acceptance and regulatory approval to implement this therapy. As with other such programs, initial feasibility is established by performing experiments on suitable small mammals. Laboratory rats were used and their thyroids were exposed to the beta particles coming from small encapsulated amounts of 128I. Masses of 89.0 mg reagent-grade elemental iodine crystals have been activated in the ISU AGN-201 reactor to provide 0.033 mBq of 128I. This activity delivers 0.2 Gy to the thyroid gland of 300-g male rats having fresh thyroid tissue masses of ˜20 mg. Larger iodine masses are used to provide greater doses. The activated iodine is encapsulated to form a thin (0.16 cm 2/mg) patch that is then applied directly to the surgically exposed thyroid of an anesthetized rat. Direct neutron irradiation of a rat's thyroid was not possible due to its small size. Direct in-vivo exposure of the thyroid of the rat to the emitted radiation from 128I is allowed to continue for 2.5 hours (6 half-lives). Pre- and post-exposure blood samples are taken to quantify thyroid hormone levels. The serum T4 concentration is measured by radioimmunoassay at

  3. Self-assembly of an amphiphilic macromolecule under spherical confinement: An efficient route to generate hollow nanospheres

    Science.gov (United States)

    Glagoleva, A. A.; Vasilevskaya, V. V.; Yoshikawa, K.; Khokhlov, A. R.

    2013-12-01

    In general, bio-macromolecules are composed of hydrophilic and hydrophobic moieties and are confined within small cavities, such as cell membranes and intracellular organelles. Here, we studied the self-organization of macromolecules having groups with different affinities to solvents under spherical nano-scale confinement by means of computer modeling. It is shown that depending on the interaction parameters of monomer units composed of side- and main-chain monomer groups along a single linear macromolecule and on cavity size, such amphiphilic polymers undergo the conformational transitions between hollow nanospheres, rod-like and folded cylindrical structures, and a necklace conformation with and without a particular ordering of beads. The diagram of the conformations in the variables the incompatibility parameter of monomer units and the cavity radius is constructed.

  4. Packet Capture Solutions: PcapDB Benchmark for High-Bandwidth Capture, Storage, and Searching

    Energy Technology Data Exchange (ETDEWEB)

    Steinfadt, Shannon Irene [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ferrell, Paul Steven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-03-21

    PcapDB stands alone when looking at the overall field of competitors, from the cost-effective COTS hardware, to the efficient utilization of disk space that enables a longer packet history. A scalable, 100GbE-enabled system that indexes every packet and indexes flow data without complicated load-balancing requirements. The Transport Layer search and indexing approach led to patent-pending flow indexing technology, providing a specialized database system specifically optimized around providing fast flow searches. While there are a plethora of options in network packet capture, there are very few that are able to effectively manage capture rates of more than 10 Gb/s, distributed capture and querying, and a responsive user interface. By far, the primary competitor in the market place is Endace and DeepSee; in addition to meeting the technical requirements we set out in this document, they provide technical support and a fully 'appliance like' system. In terms of cost, however, our experience has been that the yearly maintenance charges alone outstrip the entire hardware cost of solutions like PcapDB. Investment in cyber security research and development is a large part of what has enabled us to build the base of knowlegable workers needed to defend government resources in the rapidly evolving cyber security landscape. We believe projects like Bro, WireCap, and Farm do more than just fill temporary gaps in our capabilities. They give allow us to build the firm foundation needed to tackle the next generation of cyber challenges. PcapDB was built with loftier ambitions than simply solving the packet capture of a single lab site, but instead to provide a robust, scaleable packet capture solution to the DOE complex and beyond.

  5. Poisson-Boltzmann model of electrolytes containing uniformly charged spherical nanoparticles.

    Science.gov (United States)

    Bohinc, Klemen; Volpe Bossa, Guilherme; Gavryushov, Sergei; May, Sylvio

    2016-12-21

    Like-charged macromolecules typically repel each other in aqueous solutions that contain small mobile ions. The interaction tends to turn attractive if mobile ions with spatially extended charge distributions are added. Such systems can be modeled within the mean-field Poisson-Boltzmann formalism by explicitly accounting for charge-charge correlations within the spatially extended ions. We consider an aqueous solution that contains a mixture of spherical nanoparticles with uniform surface charge density and small mobile salt ions, sandwiched between two like-charged planar surfaces. We perform the minimization of an appropriate free energy functional, which leads to a non-linear integral-differential equation for the electrostatic potential that we solve numerically and compare with predictions from Monte Carlo simulations. Nanoparticles with uniform surface charge density are contrasted with nanoparticles that have all their charges relocated at the center. Our mean-field model predicts that only the former (especially when large and highly charged particles) but not the latter are able to mediate attractive interactions between like-charged planar surfaces. We also demonstrate that at high salt concentration attractive interactions between like-charged planar surfaces turn into repulsion.

  6. Materials design for electrocatalytic carbon capture

    Directory of Open Access Journals (Sweden)

    Xin Tan

    2016-05-01

    Full Text Available We discuss our philosophy for implementation of the Materials Genome Initiative through an integrated materials design strategy, exemplified here in the context of electrocatalytic capture and separation of CO2 gas. We identify for a group of 1:1 X–N graphene analogue materials that electro-responsive switchable CO2 binding behavior correlates with a change in the preferred binding site from N to the adjacent X atom as negative charge is introduced into the system. A reconsideration of conductive N-doped graphene yields the discovery that the N-dopant is able to induce electrocatalytic binding of multiple CO2 molecules at the adjacent carbon sites.

  7. Materials For Gas Capture, Methods Of Making Materials For Gas Capture, And Methods Of Capturing Gas

    KAUST Repository

    Polshettiwar, Vivek

    2013-06-20

    In accordance with the purpose(s) of the present disclosure, as embodied and broadly described herein, embodiments of the present disclosure, in one aspect, relate to materials that can be used for gas (e.g., CO.sub.2) capture, methods of making materials, methods of capturing gas (e.g., CO.sub.2), and the like, and the like.

  8. MASSIF-1: a beamline dedicated to the fully automatic characterization and data collection from crystals of biological macromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Bowler, Matthew W., E-mail: mbowler@embl.fr [European Molecular Biology Laboratory, Grenoble Outstation, 71 avenue des Martyrs, F-38042 Grenoble (France); Université Grenoble Alpes-EMBL-CNRS, 71 avenue des Martyrs, F-38042 Grenoble (France); Nurizzo, Didier, E-mail: mbowler@embl.fr; Barrett, Ray; Beteva, Antonia; Bodin, Marjolaine [European Synchrotron Radiation Facility, 71 avenue des Martyrs, F-38043 Grenoble (France)

    2015-10-03

    MASSIF-1 (ID30A-1) is a new beamline dedicated to the completely automatic characterization and data collection from crystals of biological macromolecules. MASSIF-1 (ID30A-1) is an ESRF undulator beamline operating at a fixed wavelength of 0.969 Å (12.8 keV) that is dedicated to the completely automatic characterization of and data collection from crystals of biological macromolecules. The first of the ESRF Upgrade MASSIF beamlines to be commissioned, it has been open since September 2014, providing a unique automated data collection service to academic and industrial users. Here, the beamline characteristics and details of the new service are outlined.

  9. Provenance Datasets Highlighting Capture Disparities

    Science.gov (United States)

    2014-01-01

    the Web pages of the universities and institutes.1 Notes are made and links pasted in a variety of formats. Files are saved on a shared drive. When...institutions/ 3. Capture Methods There are several capture methods that are available for use [4]: • Manual capture. • Scraping of logs or...the high-level user desktop. Save links App: Word, SharePoint User: Alice Web Data Web Data Web Data Web Data Web Data Web Data Notes.txt Create

  10. Precision measurement of mu p capture in a hydrogen TPC

    CERN Document Server

    Kammel, P; Andreev, V A; Balin, D V; Case, T; Crowe, K; Deutsch, J; Dick, P U; Dijksman, A; Egger, J; Fetisov, A A; Ganzha, V A; Govaerts, J; Hartmann, F J; Herold, W D; Jatsoura, V I; Krivshich, A G; Maev, E M; Maev, O E; Markushin, V; Martino, J; Petitjean, C; Petrov, G E; Prieels, R; Sadetsky, S; Schapkin, G; Schmidt, R; Schöps, W; Schott, W; Semenchuk, G G; Egidy, T V; Vorobyov, A A; Voropaev, N I

    2000-01-01

    We plan to measure the rate of the electroweak charged-current reaction mu sup - + p -> n+nu submu with 1% precision using a new experimental technique based on a high pressure time projection chamber filled with ultrapure hydrogen gas [1]. The capture rate is sensitive to the weak form factors of the nucleon, in particular to the induced pseudoscalar coupling constant g sub P which will be measured with approx 6% accuracy.

  11. Battery charging system

    Energy Technology Data Exchange (ETDEWEB)

    Carollo, J.A.; Kalinsky, W.A.

    1984-02-21

    A battery charger utilizes three basic modes of operation that includes a maintenance mode, a rapid charge mode and time controlled limited charging mode. The device utilizes feedback from the battery being charged of voltage, current and temperature to determine the mode of operation and the time period during which the battery is being charged.

  12. Enzymes in CO2 Capture

    DEFF Research Database (Denmark)

    Fosbøl, Philip Loldrup; Gladis, Arne; Thomsen, Kaj

    of carbon capture is the application of enzymes for acceleration of typically slow ternary amines or inorganic carbonates. There is a hidden potential to revive currently infeasible amines which have an interesting low energy consumption for regeneration but too slow kinetics for viable CO2 capture. The aim......The enzyme Carbonic Anhydrase (CA) can accelerate the absorption rate of CO2 into aqueous solutions by several-fold. It exist in almost all living organisms and catalyses different important processes like CO2 transport, respiration and the acid-base balances. A new technology in the field...... of this work is to discuss the measurements of kinetic properties for CA promoted CO2 capture solvent systems. The development of a rate-based model for enzymes will be discussed showing the principles of implementation and the results on using a well-known ternary amine for CO2 capture. Conclusions...

  13. Lunar Sulfur Capture System Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The Lunar Sulfur Capture System (LSCS) is an innovative method to recover sulfur compounds from lunar soil using sorbents derived primarily from in-situ resources....

  14. Methane capture from livestock manure.

    Science.gov (United States)

    Tauseef, S M; Premalatha, M; Abbasi, Tasneem; Abbasi, S A

    2013-03-15

    It has been estimated that livestock manure contributes about 240 million metric tons of carbon dioxide equivalent of methane to the atmosphere and represents one of the biggest anthropogenic sources of methane. Considering that methane is the second biggest contributor to global warming after carbon dioxide, it is imperative that ways and means are developed to capture as much of the anthropogenic methane as possible. There is a major associated advantage of methane capture: its use as a source of energy which is comparable in 'cleanness' to natural gas. The present review dwells upon the traditional ways of methane capture used in India, China, and other developing countries for providing energy to the rural poor. It then reviews the present status of methane capture from livestock manure in developed countries and touches upon the prevalent trends.

  15. NATO Advanced Research Workshop on Nuclear Magnetic Resonance of Paramagnetic Macromolecules

    CERN Document Server

    1995-01-01

    Since A. Kowalsky's first report of the spectrum of cytochrome c in 1965, interest in the detection, assignment and interpretation of paramagnetic molecules has surged, especially in the last decade. Two classes of systems have played a key role in the development of the field: heme proteins and iron-sulfur proteins. These two systems are unique in many respects, one of which is that they contain well-defined chromophores, each of which can be studied in detail outside the protein matrix. They are the most successfully studied macromolecules, and the first eight and last six of the seventeen contributions to this book deal with heme and/or iron-sulfur proteins. The middle three chapters survey the progress on, and significant promise of, more difficult systems which do not possess a chromophore, but which have nevertheless yielded remarkable insights into their structure.

  16. Enhanced ileal absorption of a hydrophilic macromolecule, pentosan polysulfate sodium (PPS).

    Science.gov (United States)

    Dong, Liang; Yum, Alicia; Nguyen, Joe; Wong, Pat

    2004-01-01

    An in situ gelling, bioadhesive liquid formulation was developed to enhance the bioavailbility (BA) of a polysaccharide, pentosan polysulfate sodium (PPS). The formulation was tested to determine its bioavailability enhancement in a non-flush/non-ligated rat ileal model. A potent synergistic effect was found with a gelling agent Cremophor and a permeation enhancer sodium salicylate. The absolute bioavailabilities were 1.9%, 4.6%, 6.3% and 46.4%, respectively, for the PPS solution in saline, sodium salicylate/PPS, Cremophor/PPS and Cremophor/sodium salicylate/PPS. Therefore, we successfully demonstrated the approach of utilizing an in situ gelling/bioadhesive liquid carrier to enhancing the bioavailability of a hydrophilic macromolecule at the distal small intestine.

  17. Specific features of 5S rRNA structure - its interactions with macromolecules and possible functions.

    Science.gov (United States)

    Smirnov, A V; Entelis, N S; Krasheninnikov, I A; Martin, R; Tarassov, I A

    2008-12-01

    Small non-coding RNAs are today a topic of great interest for molecular biologists because they can be regarded as relicts of a hypothetical "RNA world" which, apparently, preceded the modern stage of organic evolution on Earth. The small molecule of 5S rRNA (approximately 120 nucleotides) is a component of large ribosomal subunits of all living beings (5S rRNAs are not found only in mitoribosomes of fungi and metazoans). This molecule interacts with various protein factors and 23S (28S) rRNA. This review contains the accumulated data to date concerning 5S rRNA structure, interactions with other biological macromolecules, intracellular traffic, and functions in the cell.

  18. A Biology Laboratory Exercise Using Macromolecule Assays to Distinguish Four Types of Milk

    Directory of Open Access Journals (Sweden)

    Charlotte W. Pratt

    2011-03-01

    Full Text Available One of the drawbacks of cookbook-style laboratory exercises for General Biology courses is that students are not challenged to develop skills in scientific reasoning, such as formulating hypotheses and designing and carrying out experiments. Several traditional laboratory curricula include exercises involving semi-quantitative colorimetric assays to detect proteins (biuret test, reducing sugars (Benedict’s test, starch (Lugol’s test, and lipids (Sudan red test in a variety of easily prepared solutions (glucose, albumin, glycine, etc. and familiar food items (lemon juice, cornstarch, egg white, etc.. An extension of this lab exercise was developed to allow students to use their knowledge of the macromolecule assays to design an experiment to distinguish four types of “milk”: whole milk, skim milk, cream, and soy milk (rice milk or almond milk could also be included.

  19. Spirulina cultivation with a CO2 absorbent: Influence on growth parameters and macromolecule production.

    Science.gov (United States)

    Rosa, Gabriel Martins da; Moraes, Luiza; de Souza, Michele da Rosa Andrade Zimmermann; Costa, Jorge Alberto Vieira

    2016-01-01

    The objective of this study was to select a concentration of CO2 absorbents to supplement Spirulina sp. LEB 18 cultivation and to evaluate the effect of these compounds on the growth and production of macromolecules. Three initial biomass concentrations (X0), eight concentrations of monoethanolamine (MEA), and three NaOH concentrations were tested. The selected MEA concentrations did not inhibit the growth of Spirulina and doubled the dissolved inorganic carbon concentration in the assay medium in relation to the concentration of NaOH. The protein concentration in the biomass grown with MEA was, on average, 17% higher than that obtained with NaOH. Thus, it was found that MEA did not reduce the productivity of Spirulina sp. LEB 18, and its use can be further explored as a means for converting the carbon dissolved in the medium to biomolecules.

  20. Enzyme kinetics and transport in a system crowded by mobile macromolecules.

    Science.gov (United States)

    Echeverria, Carlos; Kapral, Raymond

    2015-11-21

    The dynamics of an elastic network model for the enzyme 4-oxalocrotonate tautomerase is studied in a system crowded by mobile macromolecules, also modeled by elastic networks. The system includes a large number of solvent molecules, as well as substrate and product molecules which undergo catalytic reactions with this hexameric protein. The time evolution of the entire system takes place through a hybrid dynamics that combines molecular dynamics for solute species and multiparticle collision dynamics for the solvent. It is shown that crowding leads to subdiffusive dynamics for the protein, in accord with many studies of diffusion in crowded environments, and increases orientational relaxation times. The enzyme reaction kinetics is also modified by crowding. The effective Michaelis constant decreases with crowding volume fraction, and this decrease is attributed to excluded volume effects, which dominate over effects due to reduced substrate diffusion that would cause the Michaelis constant to increase.

  1. Microwave-assisted extraction of Shenfu coal and its macromolecule structure

    Institute of Scientific and Technical Information of China (English)

    CHEN Hong; LI Jian-wei; LEI Zhao; GE Ling-mei

    2009-01-01

    Coals consist of some molecules trapped within an organic matrix from which some organic compounds can be extracted by solvents. The Soxhlet technique has been widely used for extracting organic compounds. Microwave heating methods may be successfully applied in the field of coal science. Acetone extraction yields and the chemical composition of the extract were inves-tigated using a typical Chinese coal, Shenfu coal, with microwave-assisted extraction. The acetone extract and residue were ana-lyzed by GC/MS and carbon-13 nuclear magnetic resonance spectroscopy respectively. The carbon spectra were converted into several numerical parameters, fa, Ha, Xb, which indicate the difference in macromolecular structure between Shenfu coal and its residue. Furthermore, a hybrid genetic algorithm was employed using these parameters to approximate a coal macromolecule by assembling the structural fragments or functional groups into a large and complicated structure.

  2. Dynamics on the positron capture and accelerating sections of CLIC

    CERN Document Server

    Poirier, Freddy; Vivoli, Alessandro; Dadoun, Olivier; Lepercq, Pierre; Variola, Alessandro

    2011-01-01

    The CLIC Pre-Injector Linac for the e+ beam is composed of an Adiabatic Matching Device (AMD) followed by 4 (or 5) accelerating RF structures embedded in a solenoidal magnetic field. The accelerating sections are based on 2 GHz long travelling wave structures. In this note, the positrons capture strategy downstream the AMD is reviewed. The first RF structure can be phased either for full acceleration or for deceleration. In the latter case, the simulations results show that the number of e+ capture at the end of the 200 MeV Pre-Injector Linac is increased. Then the impact of the space charge is presented. Additional techniques are also studied to explore the potentiality of increasing the number of e+ namely an extra RF field at the beginning of the capture section and a higher solenoidal field.

  3. Consequences of electrical conductivity in an orb spider's capture web

    Science.gov (United States)

    Vollrath, Fritz; Edmonds, Donald

    2013-12-01

    The glue-coated and wet capture spiral of the orb web of the garden cross spider Araneus diadematus is suspended between the dry silk radial and web frame threads. Here, we experimentally demonstrate that the capture spiral is electrically conductive because of necks of liquid connecting the droplets even if the thread is stretched. We examine how this conductivity of the capture spiral may lead to entrapment of charged airborne particles such as pollen, spray droplets and even insects. We further describe and model how the conducting spiral will also locally distort the Earth's ambient electric field. Finally, we examine the hypothesis that such distortion could be used by potential prey to detect the presence of a web but conclude that any effect would probably be too small to allow an insect to take evasive action.

  4. Temperature dependence of carrier capture by defects in gallium arsenide

    Energy Technology Data Exchange (ETDEWEB)

    Wampler, William R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Modine, Normand A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-08-01

    This report examines the temperature dependence of the capture rate of carriers by defects in gallium arsenide and compares two previously published theoretical treatments of this based on multi phonon emission (MPE). The objective is to reduce uncertainty in atomistic simulations of gain degradation in III-V HBTs from neutron irradiation. A major source of uncertainty in those simulations is poor knowledge of carrier capture rates, whose values can differ by several orders of magnitude between various defect types. Most of this variation is due to different dependence on temperature, which is closely related to the relaxation of the defect structure that occurs as a result of the change in charge state of the defect. The uncertainty in capture rate can therefore be greatly reduced by better knowledge of the defect relaxation.

  5. Toward transformational carbon capture systems

    Energy Technology Data Exchange (ETDEWEB)

    Miller, David C. [National Energy Technology Laboratory, U.S. Dept. of Energy, Pittsburgh PA (United States); Litynski, John T. [Office of Fossil Energy, U.S. Dept. of Energy, Washington DC (United States); Brickett, Lynn A. [National Energy Technology Laboratory, U.S. Dept. of Energy, Pittsburgh PA (United States); Morreale, Bryan D. [National Energy Technology Laboratory, U.S. Dept. of Energy, Pittsburgh PA (United States)

    2015-10-28

    This paper will briefly review the history and current state of Carbon Capture and Storage (CCS) research and development and describe the technical barriers to carbon capture. it will argue forcefully for a new approach to R&D, which leverages both simulation and physical systems at the laboratory and pilot scales to more rapidly move the best technoogies forward, prune less advantageous approaches, and simultaneously develop materials and processes.

  6. Radiative muon capture on hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Bertl, W. (Paul Scherrer Inst. (PSI), Villigen (Switzerland)); Ahmad, S.; Chen, C.Q.; Gumplinger, P.; Hasinoff, M.D.; Larabee, A.J.; Sample, D.G.; Schott, W.; Wright, D.H. (British Columbia Univ., Vancouver (Canada)); Armstrong, D.S.; Blecher, M. (Virginia Polytechnic Inst., Blacksburg, VA (United States) Virginia State Univ., Blacksburg, VA (United States)); Azuelos, G. (British Columbia Univ., Vancouver (Canada). TRIUMF Facility Montreal Univ., Quebec (Canada)); Depommier, P.; Jonkmans, G. (Montreal Univ., Quebec (Canada)); Gorringe, T.P. (Kentucky Univ., Lexington, KY (United States)); Henderson, R. (British Columbia Univ., Vancouver (Canada). TRIUMF Facility Melbourne Univ., Parkville (Australia)); Macdonald, J.A.; Poutissou, J.M.; Poutissou, R.; Von Egidy, T.; Zhang, N.S. (British Columbia Univ., Vancouver (Canada). TRIUMF Facility); McDonald, S.C.; Taylor, G.N. (Melbourne Univ., Parkville (Australia)); Robertson, B.D. (Queen' s Univ., Kingston, Ontario (Canada))

    1992-01-01

    The radiative capture of negative muons by protons can be used to measure the weak induced pseudoscalar form factor. Brief arguments why this method is preferable to ordinary muon capture are given followed by a discussion of the experimental difficulties. The solution to these problems as attempted by experiment no. 452 at TRIUMF is presented together with preliminary results from the first run in August 1990. An outlook on the expected final precision and the experimental schedule is also given. (orig.).

  7. Alignment in double capture processes

    Energy Technology Data Exchange (ETDEWEB)

    Moretto-Capelle, P.; Benhenni, M.; Bordenave-Montesquieu, A.; Benoit-Cattin, P.; Gleizes, A. (IRSAMC, URA CNRS 770, Univ. Paul Sabatier, 118 rte de Narbonne, 31062 Toulouse Cedex (France))

    1993-06-05

    The electron spectra emitted when a double capture occurs in N[sup 7+]+He and Ne[sup 8+]+He systems at 10 qkeV collisional energy, allow us to determine the angular distributions of the 3[ell]3[ell] [prime] lines through a special spectra fitting procedure which includes interferences between neighbouring states. It is found that the doubly excited states populated in double capture processes are generally aligned.

  8. Ex vitro experimental study on concentration polarization of macromolecules (LDL) at an arterial stenosis.

    Science.gov (United States)

    Zhang, ZhiGuo; Deng, XiaoYan; Fan, YuBo; Li, DeYu

    2007-08-01

    To verify the previous theoretical prediction that the disturbed flow distal to a stenosis enhances lipid accumulation at the blood/arterial wall interface, we designed a canine carotid arterial stenosis model and measured ex vitro the luminal surface concentration of bovine serum albumin (as a tracer macromolecule) by directly taking liquid samples from the luminal surface of the artery. The experimental results showed that due to the presence of a filtration flow, the luminal surface albumin concentration c(w) was higher than the bulk concentration c(0) as predicted by our theory. The measurement revealed that the luminal surface concentration of macromolecules was indeed enhanced significantly in regions of the disturbed flow. At Re = 50, the relative luminal surface concentration c(w)/c(0) was 1.66 +/- 0.10 in the vortex region, while the c(w)/c(0) was 1.37 +/- 0.06 in the laminar flow region. When Re increased to 100, the c(w)/c(0) in the vortex flow region and the laminar flow region reduced to 1.39 +/- 0.07 and 1.24 +/- 0.04, respectively. The effect of the filtration rate, v(w), on the luminal surface concentration of albumin was remarkably apparent. At Re = 50 and 100, when v(w) = 8.9 +/- 1.7 x 10(-6) cm/s, c(w) in the vortex region was 77% and 52% higher than c(0) respectively, meanwhile when v(w) = 4.8 +/- 0.6 x 10(-6) cm/s, c(w) in the vortex region was only 66% and 39% higher than c(0) respectively. In summary, the present study has provided further experimental evidence that concentration polarization can occur in the arterial system and fluid layer with highly concentrated lipids in the area of flow separation point may be responsible for the formation and development of atherosclerosis.

  9. Enhanced Sampling Methods for the Computation of Conformational Kinetics in Macromolecules

    Science.gov (United States)

    Grazioli, Gianmarc

    Calculating the kinetics of conformational changes in macromolecules, such as proteins and nucleic acids, is still very much an open problem in theoretical chemistry and computational biophysics. If it were feasible to run large sets of molecular dynamics trajectories that begin in one configuration and terminate when reaching another configuration of interest, calculating kinetics from molecular dynamics simulations would be simple, but in practice, configuration spaces encompassing all possible configurations for even the simplest of macromolecules are far too vast for such a brute force approach. In fact, many problems related to searches of configuration spaces, such as protein structure prediction, are considered to be NP-hard. Two approaches to addressing this problem are to either develop methods for enhanced sampling of trajectories that confine the search to productive trajectories without loss of temporal information, or coarse-grained methodologies that recast the problem in reduced spaces that can be exhaustively searched. This thesis will begin with a description of work carried out in the vein of the second approach, where a Smoluchowski diffusion equation model was developed that accurately reproduces the rate vs. force relationship observed in the mechano-catalytic disulphide bond cleavage observed in thioredoxin-catalyzed reduction of disulphide bonds. Next, three different novel enhanced sampling methods developed in the vein of the first approach will be described, which can be employed either separately or in conjunction with each other to autonomously define a set of energetically relevant subspaces in configuration space, accelerate trajectories between the interfaces dividing the subspaces while preserving the distribution of unassisted transition times between subspaces, and approximate time correlation functions from the kinetic data collected from the transitions between interfaces.

  10. Opinion: hazards faced by macromolecules when confined to thin aqueous films.

    Science.gov (United States)

    Glaeser, Robert M; Han, Bong-Gyoon

    2017-01-01

    Samples prepared for single-particle electron cryo-microscopy (cryo-EM) necessarily have a very high surface-to-volume ratio during the short period of time between thinning and vitrification. During this time, there is an obvious risk that macromolecules of interest may adsorb to the air-water interface with a preferred orientation, or that they may even become partially or fully unfolded at the interface. In addition, adsorption of macromolecules to an air-water interface may occur even before thinning. This paper addresses the question whether currently used methods of sample preparation might be improved if one could avoid such interfacial interactions. One possible way to do so might be to preemptively form a surfactant monolayer over the air-water interfaces, to serve as a structure-friendly slide and coverslip. An alternative is to immobilize particles of interest by binding them to some type of support film, which-to continue using the analogy-thus serves as a slide. In this case, the goal is not only to prevent the particles of interest from diffusing into contact with the air-water interface but also to increase the number of particles seen in each image. In this direction, it is natural to think of developing various types of affinity grids as structure-friendly alternatives to thin carbon films. Perhaps ironically, if precautions are not taken against adsorption of particles to air-water interfaces, sacrificial monolayers of denatured protein may take the roles of slide, coverslip, or even both.

  11. A mathematical model for filtration and macromolecule transport across capillary walls.

    Science.gov (United States)

    Facchini, L; Bellin, A; Toro, E F

    2014-07-01

    Metabolic substrates, such as oxygen and glucose, are rapidly delivered to the cells of large organisms through filtration across microvessels walls. Modelling this important process is complicated by the strong coupling between flow and transport equations, which are linked through the osmotic pressure induced by the colloidal plasma proteins. The microvessel wall is a composite media with the internal glycocalyx layer exerting a strong sieving effect on macromolecules, with respect to the external layer composed by the endothelial cells. The physiological structure of the microvessel is represented as the superimposition of two membranes with different properties; the inner membrane represents the glycocalyx, while the outer membrane represents the surrounding endothelial cells. Application of the mass conservation principle and thermodynamic considerations lead to a model composed of two coupled second-order ordinary differential equations for the hydrostatic and osmotic pressures, one, expressing volumetric mass conservation and the other, which is non-linear in the unknown osmotic pressure, expressing macromolecules mass conservation. Despite the complexity of the system, the assumption that the properties of the layers are piece-wise constant allows us to obtain analytical solutions for the two pressures. This solution is in agreement with experimental observations, which contrary to common belief, show that flow reversal cannot occur in steady-state conditions unless the hydrostatic pressure in the lumen drops below physiologically plausible values. The observed variations of the volumetric flux and the solute mass flux in case of a significant reduction of the hydrostatic pressure at the lumen are in qualitative agreement with observed variations during detailed experiments reported in the literature. On the other hand, homogenising the microvessel wall into a single-layer membrane with equivalent properties leads to a very different distribution of

  12. Ex vitro experimental study on concentration polari-zation of macromolecules (LDL) at an arterial stenosis

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    To verify the previous theoretical prediction that the disturbed flow distal to a stenosis enhances lipid accumulation at the blood/arterial wall interface, we designed a canine carotid arterial stenosis model and measured ex vitro the luminal surface concentration of bovine serum albumin (as a tracer mac-romolecule) by directly taking liquid samples from the luminal surface of the artery. The experimental results showed that due to the presence of a filtration flow, the luminal surface albumin concentration cw was higher than the bulk concentration co as predicted by our theory. The measurement revealed that the luminal surface concentration of macromolecules was indeed enhanced significantly in re-gions of the disturbed flow. At Re = 50, the relative luminal surface concentration cw/co was 1.66 ± 0.10 in the vortex region, while the cw/co was 1.37 ± 0.06 in the laminar flow region. When Re increased to 100, the cw/co in the vortex flow region and the laminar flow region reduced to 1.39 ± 0.07 and 1.24 ± 0.04, respectively. The effect of the filtration rate, vw, on the luminal surface concentration of albumin was remarkably apparent. At Re = 50 and 100, when vw = 8.9 ± 1.7 × 10-6 cm/s, cw in the vortex region was 77% and 52% higher than co respectively, meanwhile when vw = 4.8 ± 0.6 × 10-6 cm/s, cw in the vortex region was only 66 % and 39% higher than co respectively. In summary, the present study has provided further experimental evidence that concentration polarization can occur in the arterial system and fluid layer with highly concentrated lipids in the area of flow separation point may be responsible for the formation and development of atherosclerosis.

  13. Ex vitro experimental study on concentration polarization of macromolecules (LDL) at an arterial stenosis

    Institute of Scientific and Technical Information of China (English)

    ZHANG ZhiGuo; DENG XiaoYan; FAN YuBo; LI DeYu

    2007-01-01

    To verify the previous theoretical prediction that the disturbed flow distal to a stenosis enhances lipid accumulation at the blood/arterial wall interface, we designed a canine carotid arterial stenosis model and measured ex vitro the luminal surface concentration of bovine serum albumin (as a tracer macromolecule) by directly taking liquid samples from the luminal surface of the artery. The experimental results showed that due to the presence of a filtration flow, the luminal surface albumin concentration cw was higher than the bulk concentration co as predicted by our theory. The measurement revealed that the luminal surface concentration of macromolecules was indeed enhanced significantly in regions of the disturbed flow. At Re = 50, the relative luminal surface concentration cw/co was 1.66±0.10 in the vortex region, while the cw/co was 1.37±0.06 in the laminar flow region. When Re increased to 100,the cw/co in the vortex flow region and the laminar flow region reduced to 1.39±0.07 and 1.24±0.04,respectively. The effect of the filtration rate, vw, on the luminal surface concentration of albumin was remarkably apparent. At Re=50 and 100, when vw=8.9±1.7×10-6 cm/s, cw in the vortex region was 77% and 52% higher than co respectively, meanwhile when vw = 4.8±0.6×10-6 cm/s, cw in the vortex region was only 66% and 39% higher than co respectively. In summary, the present study has provided further experimental evidence that concentration polarization can occur in the arterial system and fluid layer with highly concentrated lipids in the area of flow separation point may be responsible for the formation and development of atherosclerosis.

  14. Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

    Science.gov (United States)

    Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

    2016-12-01

    The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized "particle in a box" problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

  15. Anti-Arrhenius cleavage of covalent bonds in bottlebrush macromolecules on substrate.

    Science.gov (United States)

    Lebedeva, Natalia V; Nese, Alper; Sun, Frank C; Matyjaszewski, Krzysztof; Sheiko, Sergei S

    2012-06-12

    Spontaneous degradation of bottlebrush macromolecules on aqueous substrates was monitored by atomic force microscopy. Scission of C ─ C covalent bonds in the brush backbone occurred due to steric repulsion between the adsorbed side chains, which generated bond tension on the order of several nano-Newtons. Unlike conventional chemical reactions, the rate of bond scission was shown to decrease with temperature. This apparent anti-Arrhenius behavior was caused by a decrease in the surface energy of the underlying substrate upon heating, which results in a corresponding decrease of bond tension in the adsorbed macromolecules. Even though the tension dropped minimally from 2.16 to 1.89 nN, this was sufficient to overpower the increase in the thermal energy (k(B)T) in the Arrhenius equation. The rate constant of the bond-scission reaction was measured as a function of temperature and surface energy. Fitting the experimental data by a perturbed Morse potential V = V(0)(1 - e(-βx))(2) - fx, we determined the depth and width of the potential to be V(0) = 141 ± 19 kJ/mol and β(-1) = 0.18 ± 0.03 Å, respectively. Whereas the V(0) value is in reasonable agreement with the activation energy E(a) = 80-220 kJ/mol of mechanical and thermal degradation of organic polymers, it is significantly lower than the dissociation energy of a C ─ C bond D(e) = 350 kJ/mol. Moreover, the force constant K(x) = 2β(2)V(0) = 1.45 ± 0.36 kN/m of a strained bottlebrush along its backbone is markedly larger than the force constant of a C ─ C bond K(l) = 0.44 kN/m, which is attributed to additional stiffness due to deformation of the side chains.

  16. Do column frits contribute to the on-column, flow-induced degradation of macromolecules?

    Science.gov (United States)

    Striegel, André M

    2014-09-12

    Flow-induced, on-column degradation is a major hindrance to the accurate characterization of ultra-high molar mass macromolecules and colloids. This degradation is a direct result of the large shear rates which are generated within the column, which cause chain scission to occur both in the interstitial medium and, it has been postulated, at the packing particle pore boundary. An additional putative source of degradation has been the column frits, though little experimental evidence exists to either support or refute this claim. To this effect, the present experiments examine the role of the frits in the degradation of high molar mass macromolecules. Two narrow dispersity polystyrene standards, the molar mass of which differs by a factor of two, were analyzed on three different size-exclusion chromatography (SEC) columns, each with frits of different pore size, at various flow rates. In the smallest pore size column, which also contained the smallest frits and which was packed with the smallest diameter particles, the larger standard was forced to degrade by increasing the flow rate of the mobile phase. During the course of the latter portion of the study, the inlet and the outlet frits were removed from the column, in stepwise fashion. It was concluded that neither frit played any appreciable role in the degradation. Results of our studies were applied to explain previously observed degradation in ultra-high pressure liquid chromatography of polymers. The general conclusion arrived at herein is that the column frits are likely to have a secondary role (as compared to interstitial and pore boundary stresses), or no role at all, in polymer degradation for cases where the frit radius is larger than or equal to the hydraulic radius rcof the column.

  17. The paradoxical role of urinary macromolecules in the aggregation of calcium oxalate: a further plea to increase diuresis in stone metaphylaxis.

    Science.gov (United States)

    Baumann, J M; Affolter, B

    2016-08-01

    This study was designed to get information on aggregation (AGN) of urinary calcium oxalate crystals (CaOx) which seems to occur in stone formation despite a protecting coat of urinary macromolecules (UMs). CaOx crystallization was directly produced in urine, control and albumin solution by Ox titration and was spectrophotometrically followed. A rapid decrease of optical density indicating AGN was absent in 14 of 15 freshly voided urines of 5 healthy controls. However, in the presence of UM-coated hydroxyapatite all urines with relative high sodium concentration, being an indicator of concentrated urine, showed a pronounced AGN which was abolished when these urines were diluted. Albumin relatively found to be an inhibitor of AGN showed after temporary adsorption on Ca Phosphate (CaP) massive self-AGN and changed to a promoter of CaOx AGN. Self-AGN after adsorption on surfaces especially of CaP, being an important compound of Randall's plaques, can thus explain this paradoxical behavior of UMs. Aggregated UMs probably bridge zones of electrostatic repulsion between UM-coated crystals with identical electrical surface charge. These zones extend by urine dilution which decreases ionic strength. Diminution of urinary concentration by increasing diuresis seems, therefore, to be important in stone metaphylaxis.

  18. The Capture of Jupiter Trojans

    Science.gov (United States)

    Morbidelli, A.; Nesvorny, D.; Vokrouhlicky, D.

    2013-09-01

    The origin of Jupiter Trojans remained mysterious for decades. Particularly, it was difficult to explain the excitation of the inclinations of the Trojan population [1]. In 2005, Morbidelli et al. [2] proposed a scenario of capture from the trans-Neptunian disk, in the framework of the so-called "Nice model" [3,4]. This scenario explained in a natural way the observed orbital distribution of Trojans. The Nice model, however, evolved in the years, in order to satisfy an increasingly large number of constraints. It now appears that the dynamical evolution of the giant planets was different from that envisioned in [2]. Here, we assess again the process of capture of Trojans within this new evolution. We show that (6-8)×10 - 7 of the original trans-Neptunian planetesimals are captured in the Trojan region, with an orbital distribution consistent with the one observed. Relative to [2], the new capture mechanism has the potential of explaining the asymmetry between the L4 and L5 populations. Moreover, the resulting population of Trojans is consistent with that of the Irregular Satellites of Jupiter, which are captured in the same process; a few bodies from the main asteroid belt could also be captured in the Trojan cloud.

  19. Cation charge dependence of the forces driving DNA assembly.

    Science.gov (United States)

    DeRouchey, Jason; Parsegian, V Adrian; Rau, Donald C

    2010-10-20

    Understanding the strength and specificity of interactions among biologically important macromolecules that control cellular functions requires quantitative knowledge of intermolecular forces. Controlled DNA condensation and assembly are particularly critical for biology, with separate repulsive and attractive intermolecular forces determining the extent of DNA compaction. How these forces depend on the charge of the condensing ion has not been determined, but such knowledge is fundamental for understanding the basis of DNA-DNA interactions. Here, we measure DNA force-distance curves for a homologous set of arginine peptides. All forces are well fit as the sum of two exponentials with 2.4- and 4.8-Å decay lengths. The shorter-decay-length force is always repulsive, with an amplitude that varies slightly with length or charge. The longer-decay-length force varies strongly with cation charge, changing from repulsion with Arg¹ to attraction with Arg². Force curves for a series of homologous polyamines and the heterogeneous protein protamine are quite similar, demonstrating the universality of these forces for DNA assembly. Repulsive amplitudes of the shorter-decay-length force are species-dependent but nearly independent of charge within each species. A striking observation was that the attractive force amplitudes for all samples collapse to a single curve, varying linearly with the inverse of the cation charge.

  20. Comparison of gold nanoparticle mediated photoporation: vapor nanobubbles outperform direct heating for delivering macromolecules in live cells.

    Science.gov (United States)

    Xiong, Ranhua; Raemdonck, Koen; Peynshaert, Karen; Lentacker, Ine; De Cock, Ine; Demeester, Jo; De Smedt, Stefaan C; Skirtach, Andre G; Braeckmans, Kevin

    2014-06-24

    There is a great interest in delivering macromolecular agents into living cells for therapeutic purposes, such as siRNA for gene silencing. Although substantial effort has gone into designing nonviral nanocarriers for delivering macromolecules into cells, translocation of the therapeutic molecules from the endosomes after endocytosis into the cytoplasm remains a major bottleneck. Laser-induced photoporation, especially in combination with gold nanoparticles, is an alternative physical method that is receiving increasing attention for delivering macromolecules in cells. By allowing gold nanoparticles to bind to the cell membrane, nanosized membrane pores can be created upon pulsed laser illumination. Depending on the laser energy, pores are created through either direct heating of the AuNPs or by vapor nanobubbles (VNBs) that can emerge around the AuNPs. Macromolecules in the surrounding cell medium can then diffuse through the pores directly into the cytoplasm. Here we present a systematic evaluation of both photoporation mechanisms in terms of cytotoxicity, cell loading, and siRNA transfection efficiency. We find that the delivery of macromolecules under conditions of VNBs is much more efficient than direct photothermal disturbance of the plasma membrane without any noticeable cytotoxic effect. Interestingly, by tuning the laser energy, the pore size could be changed, allowing control of the amount and size of molecules that are delivered in the cytoplasm. As only a single nanosecond laser pulse is required, we conclude that VNBs are an interesting photoporation mechanism that may prove very useful for efficient high-throughput macromolecular delivery in live cells.

  1. Application of flow field-flow fractionation for the characterization of macromolecules of biological interest: a review

    NARCIS (Netherlands)

    Qureshi, R.N.; Kok, W.T.

    2011-01-01

    An overview is given of the recent literature on (bio) analytical applications of flow field-flow fractionation (FlFFF). FlFFF is a liquid-phase separation technique that can separate macromolecules and particles according to size. The technique is increasingly used on a routine basis in a variety

  2. Hydroxycinnamic acids are ester-linked directly to glucosyl moieties within the lignan macromolecule from flaxseed hulls

    NARCIS (Netherlands)

    Struijs, K.; Vincken, J.P.; Verhoef, R.P.; Voragen, A.G.J.; Gruppen, H.

    2008-01-01

    In flaxseed hulls, lignans are present in an oligomeric structure. Secoisolariciresinol diglucoside (SDG), ester-linked to hydroxy-methyl-glutaric acid (HMGA), forms the backbone of this lignan macromolecule. The hydroxycinnamic acids p-coumaric acid glucoside (CouAG) and ferulic acid glucoside (FeA

  3. Application of flow field-flow fractionation for the characterization of macromolecules of biological interest: a review

    NARCIS (Netherlands)

    R.N. Qureshi; W.T. Kok

    2011-01-01

    An overview is given of the recent literature on (bio) analytical applications of flow field-flow fractionation (FlFFF). FlFFF is a liquid-phase separation technique that can separate macromolecules and particles according to size. The technique is increasingly used on a routine basis in a variety o

  4. Capture by colour: evidence for dimension-specific singleton capture.

    Science.gov (United States)

    Harris, Anthony M; Becker, Stefanie I; Remington, Roger W

    2015-10-01

    Previous work on attentional capture has shown the attentional system to be quite flexible in the stimulus properties it can be set to respond to. Several different attentional "modes" have been identified. Feature search mode allows attention to be set for specific features of a target (e.g., red). Singleton detection mode sets attention to respond to any discrepant item ("singleton") in the display. Relational search sets attention for the relative properties of the target in relation to the distractors (e.g., redder, larger). Recently, a new attentional mode was proposed that sets attention to respond to any singleton within a particular feature dimension (e.g., colour; Folk & Anderson, 2010). We tested this proposal against the predictions of previously established attentional modes. In a spatial cueing paradigm, participants searched for a colour target that was randomly either red or green. The nature of the attentional control setting was probed by presenting an irrelevant singleton cue prior to the target display and assessing whether it attracted attention. In all experiments, the cues were red, green, blue, or a white stimulus rapidly rotated (motion cue). The results of three experiments support the existence of a "colour singleton set," finding that all colour cues captured attention strongly, while motion cues captured attention only weakly or not at all. Notably, we also found that capture by motion cues in search for colour targets was moderated by their frequency; rare motion cues captured attention (weakly), while frequent motion cues did not.

  5. Influence of nanopore surface charge and magnesium ion on polyadenosine translocation.

    Science.gov (United States)

    Lepoitevin, Mathilde; Coulon, Pierre Eugène; Bechelany, Mikhael; Cambedouzou, Julien; Janot, Jean-Marc; Balme, Sebastien

    2015-04-10

    We investigate the influence of a nanopore surface state and the addition of Mg(2+) on poly-adenosine translocation. To do so, two kinds of nanopores with a low aspect ratio (diameter ∼3-5 nm, length 30 nm) were tailored: the first one with a negative charge surface and the second one uncharged. It was shown that the velocity and the energy barrier strongly depend on the nanopore surface. Typically if the nanopore and polyA exhibit a similar charge, the macromolecule velocity increases and its global energy barrier of entrance in the nanopore decreases, as opposed to the non-charged nanopore. Moreover, the addition of a divalent chelating cation induces an increase of energy barrier of entrance, as expected. However, for a negative nanopore, this effect is counterbalanced by the inversion of the surface charge induced by the adsorption of divalent cations.

  6. Multiple electron capture in close ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Schlachter, A.S.; Stearns, J.W.; Berkner, K.H.; Bernstein, E.M.; Clark, M.W.; DuBois, R.D.; Graham, W.G.; Morgan, T.J.; Mueller, D.W.; Stockli, M.P.; Tanis, J.A.; Woodland, W.T. (Lawrence Berkeley Lab., CA (USA); Western Michigan Univ., Kalamazoo, MI (USA); Pacific Northwest Lab., Richland, WA (USA); Queen' s Univ., Belfast, Northern Ireland (UK); Wesleyan Univ., Middletown, CT (USA); University of North Tex

    1989-07-24

    Collisions in which a fast highly charged ion passes within the orbit of K electron of a target gas atom are selected by emission of a K x-ray from the projectile or target. Measurement of the projectile charge state after the collision, in coincidence with the K x-ray, allows measurement of the charge-transfer probability during these close collisions. When the projectile velocity is approximately the same as that of target electrons, a large number of electrons can be transferred to the projectile in a single collision. The electron-capture probability is found to be a linear function of the number of vacancies in the projectile L shell for 47-MeV calcium ions in an Ar target. 18 refs., 9 figs.

  7. Magnetic charge quantisation and fractionally charged quarks

    NARCIS (Netherlands)

    Hooft, G. 't

    1976-01-01

    If magnetic monopoles with Schwinger's value of the magnetic charge would exist then that would pose serious restrictions on theories with fractionally charged quarks, even if they are confined. Weak and electromagnetic interactions must be unified with color, leading to a Weinberg angle w close to

  8. Conductive Graphitic Carbon Nitride as an Ideal Material for Electrocatalytically Switchable CO2 Capture.

    Science.gov (United States)

    Tan, Xin; Kou, Liangzhi; Tahini, Hassan A; Smith, Sean C

    2015-12-01

    Good electrical conductivity and high electron mobility of the sorbent materials are prerequisite for electrocatalytically switchable CO2 capture. However, no conductive and easily synthetic sorbent materials are available until now. Here, we examined the possibility of conductive graphitic carbon nitride (g-C4N3) nanosheets as sorbent materials for electrocatalytically switchable CO2 capture. Using first-principle calculations, we found that the adsorption energy of CO2 molecules on g-C4N3 nanosheets can be dramatically enhanced by injecting extra electrons into the adsorbent. At saturation CO2 capture coverage, the negatively charged g-C4N3 nanosheets achieve CO2 capture capacities up to 73.9 × 10(13) cm(-2) or 42.3 wt%. In contrast to other CO2 capture approaches, the process of CO2 capture/release occurs spontaneously without any energy barriers once extra electrons are introduced or removed, and these processes can be simply controlled and reversed by switching on/off the charging voltage. In addition, these negatively charged g-C4N3 nanosheets are highly selective for separating CO2 from mixtures with CH4, H2 and/or N2. These predictions may prove to be instrumental in searching for a new class of experimentally feasible high-capacity CO2 capture materials with ideal thermodynamics and reversibility.

  9. Resonant charge transfer at dielectric surfaces

    CERN Document Server

    Marbach, Johannes; Fehske, Holger

    2012-01-01

    We report on the theoretical description of secondary electron emission due to resonant charge transfer occurring during the collision of metastable nitrogen molecules with dielectric surfaces. The emission is described as a two step process consisting of electron capture to form an intermediate shape resonance and subsequent electron emission by decay of this ion, either due to its natural life time or its interaction with the surface. The electron capture is modeled using the Keldysh Green's function technique and the negative ion decay is described by a combination of the Keldysh technique and a rate equation approach. We find the resonant capture of electrons to be very efficient and the natural decay to be clearly dominating over the surface-induced decay. Secondary electron emission coefficients are calculated for aluminum oxide, magnesium oxide, silicon oxide, and diamond at several kinetic energies of the projectile. With the exception of magnesium oxide the coefficients turn out to be of the order of...

  10. Charging Graphene for Energy Storage

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jun

    2014-10-06

    Since 2004, graphene, including single atomic layer graphite sheet, and chemically derived graphene sheets, has captured the imagination of researchers for energy storage because of the extremely high surface area (2630 m2/g) compared to traditional activated carbon (typically below 1500 m2/g), excellent electrical conductivity, high mechanical strength, and potential for low cost manufacturing. These properties are very desirable for achieving high activity, high capacity and energy density, and fast charge and discharge. Chemically derived graphene sheets are prepared by oxidation and reduction of graphite1 and are more suitable for energy storage because they can be made in large quantities. They still contain multiply stacked graphene sheets, structural defects such as vacancies, and oxygen containing functional groups. In the literature they are also called reduced graphene oxide, or functionalized graphene sheets, but in this article they are all referred to as graphene for easy of discussion. Two important applications, batteries and electrochemical capacitors, have been widely investigated. In a battery material, the redox reaction occurs at a constant potential (voltage) and the energy is stored in the bulk. Therefore, the energy density is high (more than 100 Wh/kg), but it is difficult to rapidly charge or discharge (low power, less than 1 kW/kg)2. In an electrochemical capacitor (also called supercapacitors or ultracapacitor in the literature), the energy is stored as absorbed ionic species at the interface between the high surface area carbon and the electrolyte, and the potential is a continuous function of the state-of-charge. The charge and discharge can happen rapidly (high power, up to 10 kW/kg) but the energy density is low, less than 10 Wh/kg2. A device that can have both high energy and high power would be ideal.

  11. Synthesis and application of functional branched macromolecules: From site isolation and energy harvesting to catalysis

    Science.gov (United States)

    Hecht, Stefan

    The symbiosis of our understanding of structure property relationships in many biological macromolecules and our increased ability to prepare large synthetic macromolecules with exquisite structural precision has generated a new area of research where chemistry and materials science join with biology. For example, numerous biological systems utilize the concept of site isolation whereby an active center or catalytic site is encapsulated, frequently within a protein, to afford properties that would not be encountered in the bulk state. The ability of a dendritic shell to encapsulate functional core moieties and to create specific site-isolated nanoenvironments, thereby affecting molecular properties, not only mimics natural systems but affords novel materials with unique characteristics. Furthermore, introduction of donor chromophores at periphery of dendrimers having a central acceptor dye enables spatial and spectral energy concentration at the core. Continuing the effort towards designing bio-inspired macromolecules, this dissertation describes the use of different polymer architectures to encapsulate active sites that have either photophysical, photochemical, or catalytic functions and the evaluation of site isolation using a variety of different techniques. While the first part is mainly concerned with different synthetic approaches towards site isolation of porphyrin moieties, the second part describes the design of light-driven catalytic systems incorporating both light harvesting and energy conversion. The fundamental knowledge that can be gleaned from such investigations has implications that range from the preliminary design of artificial enzymes to the construction of molecular-scale devices. After an overview of dendritically encapsulated functions (Chapter 1) and a brief account of a novel synthetic approach to benzene core dendrimers (Chapter 2), site isolation of porphyrin moieties within dendrimers, their linear structural isomers, and branched star

  12. Linear shaped charge

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, David; Stofleth, Jerome H.; Saul, Venner W.

    2017-07-11

    Linear shaped charges are described herein. In a general embodiment, the linear shaped charge has an explosive with an elongated arrowhead-shaped profile. The linear shaped charge also has and an elongated v-shaped liner that is inset into a recess of the explosive. Another linear shaped charge includes an explosive that is shaped as a star-shaped prism. Liners are inset into crevices of the explosive, where the explosive acts as a tamper.

  13. Surface behavior and kinetic analysis of macromolecules separated from beer in aqueous solution; Biru yori bunrishita kobunshi no suiyoeki deno hyomen kyodo to sono sokudo ronteki kaiseki

    Energy Technology Data Exchange (ETDEWEB)

    Segawa, S.; Mitani, Y. [Sapporo Breweries Ltd., Tokyo (Japan). Brewing Research Lab.; Ogaki, K. [Osaka Univ., Osaka (Japan). Division of Chemical Engineering

    2000-09-10

    In a solution of macromolecules such as proteins that have surface activity, the macromolecules stabilize the foam by adsorbing at the bubble surface. These surface-active macromolecules at the gas/liquid interface lower surface energy. The macromolecules adhere to the gas/liquid interface, and then change their shapes. Hydrophobic groups in the molecule turn to the gas phase and hydrophilic groups turn to the liquid phase. The macromolecules separated from beer were dissolved in an acetic acid buffer solution, and then the surface behavior was speculated by the surface tension change. Their surface tension did not reach a constant value for several seconds, not like the low molecular solutions such as ethanol. The decrease in this surface tension could be kinetically analyzed. The surface tension decreased by the adsorption of macromolecules on the liquid surface, and by the shape changes in the molecule (the extension of molecule at the surface). In the {beta}-casein solution, the surface tension decreased in 2 steps that were more clear than in the beer macromolecule solution. This surface tension decrease is also supposed to show the adsorption of protein molecules and the shape change at the liquid surface. (author)

  14. The chain length of lignan macromolecule from flaxseed hulls is determined by the incorporation of coumaric acid glucosides and ferulic acid glucosides.

    Science.gov (United States)

    Struijs, Karin; Vincken, Jean-Paul; Doeswijk, Timo G; Voragen, Alphons G J; Gruppen, Harry

    2009-01-01

    Lignan macromolecule from flaxseed hulls is composed of secoisolariciresinol diglucoside (SDG) and herbacetin diglucoside (HDG) moieties ester-linked by 3-hydroxy-3-methylglutaric acid (HMGA), and of p-coumaric acid glucoside (CouAG) and ferulic acid glucoside (FeAG) moieties ester-linked directly to SDG. The linker molecule HMGA was found to account for 11% (w/w) of the lignan macromolecule. Based on the extinction coefficients and RP-HPLC data, it was determined that SDG contributes for 62.0% (w/w) to the lignan macromolecule, while CouAG, FeAG, and HDG contribute for 12.2, 9.0, and 5.7% (w/w), respectively. Analysis of fractions of lignan macromolecule showed that the higher the molecular mass, the higher the proportion of SDG was. An inverse relation between the molecular mass and the proportion (%) CouAG+FeAG was found. Together with the structural information of oligomers of lignan macromolecule obtained after partial saponification, it is hypothesized that the amount of CouAG+FeAG present during biosynthesis determines the chain length of lignan macromolecule. Furthermore, the chain length was estimated from a model describing lignan macromolecule based on structural and compositional data. The average chain length of the lignan macromolceule was calculated to be three SDG moieties with CouAG or FeAG at each of the terminal positions, with a variation between one and seven SDG moieties.

  15. Effect of cAMP on macromolecule synthesis in the pathogenic protozoa Trypanosoma cruzi

    Directory of Open Access Journals (Sweden)

    Dilvani O. Santos

    1988-09-01

    Full Text Available Macromolecule synthesis of Trypanosoma cruzi in culture was monitored using radioactive tracers. Cells of different days in culture displayed a preferential incorporation of precursors as follows: 1 day for (³H-thymidine cells; 3 days for (³H-uridine cells, and 4 days for (³H-leucine cells. Autoradiographic studies showed that (³H-thymidine was incorporated in the DNA of both kinetoplast and nucleus in this order. Shifts in the intracellular content of cAMP either by addition of dibutyryl-cAMP or by stimulation of the adenylcyclase by isoproterenol, caused an inhibition in the synthesis of DNA, RNA and proteins. Addition to the T. cruzi cultures of these agents which elevate the intracellular content ofcAMP provoked an interruption of cell proliferation as a result of the impairment of macromolecule synthesis. A discrimination was observed among the stereoisomers of isoproterenol, the L configuration showing to be most active.A síntese de macromoléculas de T. cruzi em cultura foi monitorada usando traçadores radioativos. Células de diferentes dias em cultura mostraram uma incorporação preferencial de precursores comco se seguez: 1 dia para (3H-timidina; 3 dias para (3H-uridina e 4 dias para (3H-leucina. Estudos autoradiográficos mostraram que (3H-leucina. Estudos autoradiográficos mostraram que (3H-timidina foi incorporada no DNA de ambos, cinetoplasto e núcleo, nesta ordem. Alterações no conteúdo intracelular de cAMP seja por adição de dibutiril-cAMP ou por estimulação de adenilciclase por isoproterenol, causav am inibição na síntese de DNA, RNA e proteínas. A adição destes agentes que elevam o conteúdo intracelular de cAMP em culturas de T.cruzi provocou inibição de crescimento, com resultado da síntese macromolecular imperfeita. Foi observada uma discriminação entre os estereoisômeros de isoproterenol, sendo a configuração L, a mais ativa.

  16. A statistical model of macromolecules dynamics for Fluorescence Correlation Spectroscopy data analysis

    Directory of Open Access Journals (Sweden)

    Dmitri Koroliouk

    2016-08-01

    Full Text Available In this paper, we propose a new mathematical model to describe the mechanisms of biological macromolecules interactions. Our model consists of a discrete stationary random sequence given by a solution of difference stochastic equation, characterized by a drift predictive component and by a diffusion term. The relative statistical estimations are very simple and effective, promising to be a good tool for the mathematical description of collective biological reactions. This paper presents the mathematical model and its verification on a simulated data set, obtained on the basis of the well-known Stokes-Einsteinmodel. In particular, we considered several mix of particles of different diffusion coefficient, respectively: D1=10 mm2/sec and D2=100 mm2/sec. The parameters evaluated by this new mathematical model on simulated data show good estimation accuracy, in comparison with the prior parameters used in the simulations. Furthermore, when analyzing the data for the mix of particles with different diffusion coefficient, the proposed model parameters  (regression and  (square variance of the stochastic component have a good discriminative ability for the molar fraction determination.  In this paper, we propose a new mathematical model to describe the mechanisms of biological macromolecules interactions. Our model consists of a discrete stationary random sequence given by a solution of difference stochastic equation, characterized by a drift predictive component and by a diffusion term. The relative statistical estimations are very simple and effective, promising to be a good tool for mathematical description of collective biological reactions. This paper presents the mathematical model and its verification on simulated data set, obtained on the basis of the well-known Stokes-Einsteinmodel. In particular we considered several mix of particles of different diffusion coefficient, respectively: D1=10 mm2/sec and D2=100 mm2/sec. The parameters

  17. An Electrostatic-Barrier-Forming Window that Captures Airborne Pollen Grains to Prevent Pollinosis

    Science.gov (United States)

    Takikawa, Yoshihiro; Matsuda, Yoshinori; Nonomura, Teruo; Kakutani, Koji; Kusakari, Shin-Ichi; Toyoda, Hideyoshi

    2017-01-01

    An electrostatic-barrier-forming window (EBW) was devised to capture airborne pollen, which can cause allergic pollinosis. The EBW consisted of three layers of insulated conductor wires (ICWs) and two voltage generators that supplied negative charges to the two outer ICW layers and a positive charge to the middle ICW layer. The ICWs generated an attractive force that captured pollen of the Japanese cedar, Cryptomeria japonica, from air blown through the EBW. The attractive force was directly proportional to the applied voltage. At ≥3.5 kV, the EBW exerted sufficient force to capture all pollen carried at an air flow of 3 m/s, and pollen-free air passed through the EBW. The findings demonstrated that the electrostatic barrier that formed inside the EBW was very effective at capturing airborne pollen; thus, it could allow a home to remain pollen-free and healthy despite continuous pollen exposure.

  18. Direct quantification of negatively charged functional groups on membrane surfaces

    KAUST Repository

    Tiraferri, Alberto

    2012-02-01

    Surface charge plays an important role in membrane-based separations of particulates, macromolecules, and dissolved ionic species. In this study, we present two experimental methods to determine the concentration of negatively charged functional groups at the surface of dense polymeric membranes. Both techniques consist of associating the membrane surface moieties with chemical probes, followed by quantification of the bound probes. Uranyl acetate and toluidine blue O dye, which interact with the membrane functional groups via complexation and electrostatic interaction, respectively, were used as probes. The amount of associated probes was quantified using liquid scintillation counting for uranium atoms and visible light spectroscopy for the toluidine blue dye. The techniques were validated using self-assembled monolayers of alkanethiols with known amounts of charged moieties. The surface density of negatively charged functional groups of hand-cast thin-film composite polyamide membranes, as well as commercial cellulose triacetate and polyamide membranes, was quantified under various conditions. Using both techniques, we measured a negatively charged functional group density of 20-30nm -2 for the hand-cast thin-film composite membranes. The ionization behavior of the membrane functional groups, determined from measurements with toluidine blue at varying pH, was consistent with published data for thin-film composite polyamide membranes. Similarly, the measured charge densities on commercial membranes were in general agreement with previous investigations. The relative simplicity of the two methods makes them a useful tool for quantifying the surface charge concentration of a variety of surfaces, including separation membranes. © 2011 Elsevier B.V.

  19. Charge regulation and local dielectric function in planar polyelectrolyte brushes.

    Science.gov (United States)

    Kumar, Rajeev; Sumpter, Bobby G; Kilbey, S Michael

    2012-06-21

    Understanding the effect of inhomogeneity on the charge regulation and dielectric properties, and how it depends on the conformational characteristics of the macromolecules is a long-standing problem. In order to address this problem, we have developed a field-theory to study charge regulation and local dielectric function in planar polyelectrolyte brushes. The theory is used to study a polyacid brush, which is comprised of chains end-grafted at the solid-fluid interface, in equilibrium with a bulk solution containing monovalent salt ions, solvent molecules, and pH controlling acid. In particular, we focus on the effects of the concentration of added salt and pH of the bulk in determining the local charge and dielectric function. Our theoretical investigations reveal that the dipole moment of the ion-pairs formed as a result of counterion adsorption on the chain backbones play a key role in affecting the local dielectric function. For polyelectrolytes made of monomers having dipole moments lower than the solvent molecules, dielectric decrement is predicted inside the brush region. However, the formation of ion-pairs (due to adsorption of counterions coming from the dissociation of added salt) more polar than the solvent molecules is shown to increase the magnitude of the dielectric function with respect to its bulk value. Furthermore, an increase in the bulk salt concentration is shown to increase the local charge inside the brush region.

  20. Optic capture pars plana lensectomy

    Directory of Open Access Journals (Sweden)

    Lee JE

    2012-10-01

    Full Text Available Joo Eun LeeDepartment of Ophthalmology, Inje University College of Medicine, Busan, South KoreaObjective: To describe an optic capture pars plana lensectomy technique.Methods: After core vitrectomy, pars plana lensectomy is performed with preservation of the anterior capsule. Capsulorhexis is performed on the preserved anterior capsule through a 2.8 mm clear corneal incision. An intraocular lens (IOL is placed in the ciliary sulcus, and then the optic of the IOL is pushed back to the vitreous cavity so that the optic is captured by the surrounding capsulorhexis margin.Results: The captured IOL-capsule diaphragm remained stable during air–fluid exchange and prevented air prolapse to the anterior chamber. IOL stability and a clear visual axis were preserved during the follow-up period.Conclusion: With this modified pars plana lensectomy technique, stable IOL position and clear visual axis can be maintained when a pars plana approach is needed during combined cataract and vitreoretinal surgery.Keywords: lensectomy, optic capture, pars plana lensectomy, vitrectomy

  1. 49 CFR 563.9 - Data capture.

    Science.gov (United States)

    2010-10-01

    ... frontal or side air bag deployment crash, capture and record the current deployment data, up to two events... 49 Transportation 6 2010-10-01 2010-10-01 false Data capture. 563.9 Section 563.9 Transportation..., DEPARTMENT OF TRANSPORTATION EVENT DATA RECORDERS § 563.9 Data capture. The EDR must capture and record...

  2. Cobalt-mediated radical coupling (CMRC): an unusual route to midchain-functionalized symmetrical macromolecules.

    Science.gov (United States)

    Debuigne, Antoine; Poli, Rinaldo; De Winter, Julien; Laurent, Pascal; Gerbaux, Pascal; Dubois, Philippe; Wathelet, Jean-Paul; Jérôme, Christine; Detrembleur, Christophe

    2010-02-01

    Cobalt-mediated radical coupling (CMRC) is a straightforward approach to the synthesis of symmetrical macromolecules that relies on the addition of 1,3-diene compounds onto polymer precursors preformed by cobalt-mediated radical polymerization (CMRP). Mechanistic features that make this process so efficient for radical polymer coupling are reported here. The mechanism was established on the basis of NMR spectroscopy and MALDI-MS analyses of the coupling product and corroborated by DFT calculations. A key feature of CMRC is the preferential insertion of two diene units in the middle of the chain of the coupling product mainly according to a trans-1,4-addition pathway. The large tolerance of CMRC towards the diene structure is demonstrated and the impact of this new coupling method on macromolecular engineering is discussed, especially for midchain functionalization of polymers. It is worth noting that the interest in CMRC goes beyond the field of polymer chemistry, since it constitutes a novel carbon-carbon bond formation method that could be applied to small organic molecules.

  3. Rappertk: a versatile engine for discrete restraint-based conformational sampling of macromolecules

    Directory of Open Access Journals (Sweden)

    Karmali Anjum M

    2007-03-01

    Full Text Available Abstract Background Macromolecular structures are modeled by conformational optimization within experimental and knowledge-based restraints. Discrete restraint-based sampling generates high-quality structures within these restraints and facilitates further refinement in a continuous all-atom energy landscape. This approach has been used successfully for protein loop modeling, comparative modeling and electron density fitting in X-ray crystallography. Results Here we present a software toolkit (Rappertk which generalizes discrete restraint-based sampling for use in structural biology. Modular design and multi-layered architecture enables Rappertk to sample conformations of any macromolecule at many levels of detail and within a variety of experimental restraints. Performance against a Cα-tracing benchmark shows that the efficiency has not suffered despite the overhead required by this flexibility. We demonstrate the toolkit's capabilities by building high-quality β-sheets and by introducing restraint-driven sampling. RNA sampling is demonstrated by rebuilding a protein-RNA interface. Ability to construct arbitrary ligands is used in sampling protein-ligand interfaces within electron density. Finally, secondary structure and shape information derived from EM are combined to generate multiple conformations of a protein consistent with the observed density. Conclusion Through its modular design and ease of use, Rappertk enables exploration of a wide variety of interesting avenues in structural biology. This toolkit, with illustrative examples, is freely available to academic users from http://www-cryst.bioc.cam.ac.uk/~swanand/mysite/rtk/index.html.

  4. Glycoxidation of biological macromolecules: a critical approach to halt the menace of glycation.

    Science.gov (United States)

    Ahmad, Saheem; Khan, M Salman; Akhter, Firoz; Khan, Mohd Sajid; Khan, Amir; Ashraf, J M; Pandey, Ramendra Pati; Shahab, Uzma

    2014-11-01

    Glycation is the result of covalent bonding of a free amino group of biological macromolecules with a reducing sugar, which results in the formation of a Schiff base that undergoes rearrangement, dehydration and cyclization to form a more stable Amadori product. The final products of nonenzymatic glycation of biomacromolecules like DNA, proteins and lipids are known as advanced glycation end products (AGEs). AGEs may be generated rapidly or over long times stimulated by distinct triggering mechanisms, thereby accounting for their roles in multiple settings and disease states. Both Schiff base and Amadori glycation products generate free radicals resulting in decline of antioxidant defense mechanisms and can damage cellular organelles and enzymes. This critical review primarily focuses on the mechanistic insight of glycation and the most probable route for the formation of glycation products and their therapeutic interventions. Furthermore, the prevention of glycation reaction using therapeutic drugs such as metformin, pyridoxamine and aminoguanidine (AG) are discussed with special emphasis on the novel concept of the bioconjugation of these drugs like, AG with gold nanoparticles (GNPs). At or above 10 mM concentration, AG is found to be toxic and therefore has serious health concerns, and the study warrants doing this novel bioconjugation of AG with GNPs. This approach might increase the efficacy of the AG at a reduced concentration with low or no toxicity. Using the concept of synthesis of GNPs with abovementioned drugs, it is assumed that toxicity of various drugs which are used at high doses can be minimized more effectively.

  5. Perspective: On the importance of hydrodynamic interactions in the subcellular dynamics of macromolecules

    Science.gov (United States)

    Skolnick, Jeffrey

    2016-01-01

    An outstanding challenge in computational biophysics is the simulation of a living cell at molecular detail. Over the past several years, using Stokesian dynamics, progress has been made in simulating coarse grained molecular models of the cytoplasm. Since macromolecules comprise 20%-40% of the volume of a cell, one would expect that steric interactions dominate macromolecular diffusion. However, the reduction in cellular diffusion rates relative to infinite dilution is due, roughly equally, to steric and hydrodynamic interactions, HI, with nonspecific attractive interactions likely playing rather a minor role. HI not only serve to slow down long time diffusion rates but also cause a considerable reduction in the magnitude of the short time diffusion coefficient relative to that at infinite dilution. More importantly, the long range contribution of the Rotne-Prager-Yamakawa diffusion tensor results in temporal and spatial correlations that persist up to microseconds and for intermolecular distances on the order of protein radii. While HI slow down the bimolecular association rate in the early stages of lipid bilayer formation, they accelerate the rate of large scale assembly of lipid aggregates. This is suggestive of an important role for HI in the self-assembly kinetics of large macromolecular complexes such as tubulin. Since HI are important, questions as to whether continuum models of HI are adequate as well as improved simulation methodologies that will make simulations of more complex cellular processes practical need to be addressed. Nevertheless, the stage is set for the molecular simulations of ever more complex subcellular processes. PMID:27634243

  6. Antioxidant, antimicrobial, cell viability and enzymatic inhibitory of antioxidant polymers as biological macromolecules.

    Science.gov (United States)

    Hashemi Gahruie, Hadi; Niakousari, Mehrdad

    2017-11-01

    Polymeric antioxidants such as Catechinaldehyde Polycondensates, Catechin-acelaldehydepolycondensates, Flavonoid-grafted chitosan fibers, Ferulate hydrogel, Dextran ferulate hydrogel, Starch-quercetin conjugate, Gallic acid- and Caffeic acid-functionalized chitosan, Gallic acid - chitosan conjugate, Poly(rutin), Gallic acid grafted chitosan, Dextran-Catechin Conjugate belong to biological macromolecules. These kinds of compounds have stronger antioxidant potential and pharmacokinetic activities, as compared to similar low molecular weight preservatives. Most of these compounds sources are either antioxidants with low molecules polymerization, or polymers conjugation such as synthetic or natural preservatives. Additives are well known as being an important ingredient of food products due to their strong preservative potential. Many researchers and industries attempt to find synthesize materials with the same antioxidant potential and higher stability than the similar compounds with low molecular weight. Recently, macromolecular antioxidants have received wide attention as food additives and dietary supplements in functional foods. It seems that the main usage of these compounds is in the food packaging industry. Most of these compounds have strong antioxidant, antimicrobial, cell viability and enzymatic inhibitory properties. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Coupling of the fusion and budding of giant phospholipid vesicles containing macromolecules.

    Science.gov (United States)

    Terasawa, Hidetoshi; Nishimura, Kazuya; Suzuki, Hiroaki; Matsuura, Tomoaki; Yomo, Tetsuya

    2012-04-17

    Mechanisms that enabled primitive cell membranes to self-reproduce have been discussed based on the physicochemical properties of fatty acids; however, there must be a transition to modern cell membranes composed of phospholipids [Budin I, Szostak JW (2011) Proc Natl Acad Sci USA 108:5249-5254]. Thus, a growth-division mechanism of membranes that does not depend on the chemical nature of amphiphilic molecules must have existed. Here, we show that giant unilamellar vesicles composed of phospholipids can undergo the coupled process of fusion and budding transformation, which mimics cell growth and division. After gaining excess membrane by electrofusion, giant vesicles spontaneously transform into the budded shape only when they contain macromolecules (polymers) inside their aqueous core. This process is a result of the vesicle maximizing the translational entropy of the encapsulated polymers (depletion volume effect). Because the cell is a lipid membrane bag containing highly concentrated biopolymers, this coupling process that is induced by physical and nonspecific interactions may have a general importance in the self-reproduction of the early cellular compartments.

  8. Preparation, characterization and application of a novel biodegradable macromolecule: carboxymethyl zein.

    Science.gov (United States)

    Yin, Huayue; Lu, Tao; Liu, Li; Lu, Chuanhua

    2015-01-01

    Zein, a naturally biocompatible and biodegradable macromolecule, is widely used as plastic film material; however, the poor water solubility limits its other applications. In this study, we aimed to obtain carboxymethyl zein (CM-zein) by modifying it with sodium monochloroacetate in weakly basic environment. CM-zein showed a new FTIR peak of C-O-C bond at 1080 cm(-1), with a new signal region appearing at 4.0-4.05 ppm that assigned to the protons of the CH2 group from a carboxymethyl on (1)H NMR and a Tg of 168.0 °C by thermal analysis. Compared with the -12.3 mV of zeta potential of unmodified zein, CM-zein increased it significantly to -23.9 mV as a consequence of carboxymethylation. 5-Fluorouracil (5-FU), a model drug used in CM-zein-based tablet, was rarely detected in 0.1 mol/L HCl (pH 1.0) but it was released massively and quickly in phosphates buffer (pH 6.8) in vitro assays. The unmodified zein-based tablet illustrated much lower release level in these two fluids. Furthermore, the pharmacokinetic study of rats showed that CM-zein released 5-FU in intestine but not in stomach after dissolving. These findings indicated that CM-zein has the potential to be used for enteric preparation as a novel pH-selective biomaterial.

  9. Introduction to 3D reconstruction of macromolecules using single particle electron microscopy

    Institute of Scientific and Technical Information of China (English)

    Oscar LLORCA

    2005-01-01

    Single-particle electron microscopy has now reached maturity, becoming a commonly used method in the examination ofmacromolecular structure. Using a small amount of purified protein, isolated molecules are observed under the electron microscope and the data collected can be averaged into a 3D reconstruction.Single-particle electron microscopy is an appropriate tool for the analysis of proteins that can only be obtained in modest quantities, like many of the large complexes currently of interest in biomedicine. Whilst the use of electron microscopy expands, new methods are being developed and improved to deal with further challenges, such as reaching higher resolutions and the combination of information at different levels of structural detail. More importantly, present methodology is still not robust enough when studying certain "tricky" proteins like those displaying extensive conformational flexibility and a great deal of user expertise is required, posing a threat to the consistency of the final structure. This mini review describes a brief outline of the methods currently used in the 3D analysis of macromolecules using single-particle electron microscopy, intended for those first approaching this field. A summary of methods, techniques, software, and some recent work is presented. The spectacular improvements to the technique in recent years, its advantages and limitations compared to other structural methods,and its future developments are discussed.

  10. Correction: Membrane-active macromolecules resensitize NDM-1 gram-negative clinical isolates to tetracycline antibiotics.

    Directory of Open Access Journals (Sweden)

    Divakara S S M Uppu

    Full Text Available Gram-negative 'superbugs' such as New Delhi metallo-beta-lactamase-1 (blaNDM-1 producing pathogens have become world's major public health threats. Development of molecular strategies that can rehabilitate the 'old antibiotics' and halt the antibiotic resistance is a promising approach to target them. We report membrane-active macromolecules (MAMsthat restore the antibacterial efficacy (enhancement by >80-1250 fold of tetracycline antibiotics towards blaNDM-1 Klebsiella pneumonia and blaNDM-1 Escherichia coli clinical isolates.Organismic studies showed that bacteria had an increased and faster uptake of tetracyclinein the presence of MAMs which is attributed to the mechanism of re-sensitization. Moreover,bacteria did not develop resistance to MAMs and MAMs stalled the development of bacterial resistance to tetracycline. MAMs displayed membrane-active properties such as dissipation of membrane potential and membrane-permeabilization that enabled higher uptake of tetracycline in bacteria. In-vivo toxicity studies displayed good safety profiles and preliminary in-vivo antibacterial efficacy studies showed that mice treated with MAMs in combination with antibiotics had significantly decreased bacterial burden compared to the untreated mice. This report of re-instating the efficacy of the antibiotics towards blaNDM-1 pathogens using membrane-active molecules advocates their potential for synergistic co-delivery of antibiotics to combat Gram-negative superbugs.

  11. Membrane-active macromolecules resensitize NDM-1 gram-negative clinical isolates to tetracycline antibiotics.

    Directory of Open Access Journals (Sweden)

    Divakara S S M Uppu

    Full Text Available Gram-negative 'superbugs' such as New Delhi metallo-beta-lactamase-1 (blaNDM-1 producing pathogens have become world's major public health threats. Development of molecular strategies that can rehabilitate the 'old antibiotics' and halt the antibiotic resistance is a promising approach to target them. We report membrane-active macromolecules (MAMs that restore the antibacterial efficacy (enhancement by >80-1250 fold of tetracycline antibiotics towards blaNDM-1 Klebsiella pneumonia and blaNDM-1 Escherichia coli clinical isolates. Organismic studies showed that bacteria had an increased and faster uptake of tetracycline in the presence of MAMs which is attributed to the mechanism of re-sensitization. Moreover, bacteria did not develop resistance to MAMs and MAMs stalled the development of bacterial resistance to tetracycline. MAMs displayed membrane-active properties such as dissipation of membrane potential and membrane-permeabilization that enabled higher uptake of tetracycline in bacteria. In-vivo toxicity studies displayed good safety profiles and preliminary in-vivo antibacterial efficacy studies showed that mice treated with MAMs in combination with antibiotics had significantly decreased bacterial burden compared to the untreated mice. This report of re-instating the efficacy of the antibiotics towards blaNDM-1 pathogens using membrane-active molecules advocates their potential for synergistic co-delivery of antibiotics to combat Gram-negative superbugs.

  12. Characterization of magnetically oriented phospholipid micelles for measurement of dipolar couplings in macromolecules.

    Science.gov (United States)

    Ottiger, M; Bax, A

    1998-10-01

    Weak alignment of solute molecules with the magnetic field can be achieved in a dilute liquid crystalline medium, consisting of an aqueous mixture of dimyristoyl-phosphatidylcholine (DMPC) and dihexanoyl-phosphatidylcholine (DHPC). For a certain range of molar ratios, DMPC and DHPC can form large, disc-shaped particles, commonly referred to as bicelles (Sanders and Schwonek, 1992), which cooperatively align in the magnetic field and induce a small degree of alignment on asymmetrically shaped solute molecules. As a result, dipolar couplings between pairs of 1H, 13C or 15N nuclei are no longer averaged to zero by rotational diffusion and they can be readily measured, providing valuable structural information. The stability of these liquid crystals and the degree of alignment of the solute molecules depend strongly on experimental variables such as the DMPC:DHPC ratio and concentration, the preparation protocol of the DMPC/DHPC mixtures, as well as salt, temperature, and pH. The lower temperature limit for which the liquid crystalline phase is stable can be reduced to 20 degrees C by using a ternary mixture of DHPC, DMPC, and 1-myristoyl-2-myristoleoyl-sn-glycero-3-phosphocholine, or a binary mixture of DHPC and ditridecanoyl-phosphatidylcholine. These issues are discussed, with an emphasis on the use of the medium for obtaining weak alignment of biological macromolecules.

  13. Characterization of magnetically oriented phospholipid micelles for measurement of dipolar couplings in macromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Ottiger, Marcel; Bax, Ad [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)

    1998-10-15

    Weak alignment of solute molecules with the magnetic field can be achieved in a dilute liquid crystalline medium, consisting of an aqueous mixture of dimyristoyl-phosphatidylcholine (DMPC) and dihexanoyl-phosphatidylcholine (DHPC). For a certain range of molar ratios, DMPC and DHPC can form large, disc-shaped particles, commonly referred to as bicelles (Sanders and Schwonek, 1992), which cooperatively align in the magnetic field and induce a small degree of alignment on asymmetrically shaped solute molecules. As a result, dipolar couplings between pairs of {sup 1}H, {sup 13}C or {sup 15}N nuclei are no longer averaged to zero by rotational diffusion and they can be readily measured, providing valuable structural information. The stability of these liquid crystals and the degree of alignment of the solute molecules depend strongly on experimental variables such as the DMPC:DHPC ratio and concentration, the preparation protocol of the DMPC/DHPC mixtures, as well as salt, temperature, and pH. The lower temperature limit for which the liquid crystalline phase is stable can be reduced to 20 deg. C by using a ternary mixture of DHPC, DMPC, and 1-myristoyl-2-myristoleoyl-sn-glycero-3-phosphocholine, or a binary mixture of DHPC and ditridecanoyl-phosphatidylcholine. These issues are discussed, with an emphasis on the use of the medium for obtaining weak alignment of biological macromolecules.

  14. Suspendable macromolecules are responsible for ice nucleation activity of birch and conifer pollen

    Directory of Open Access Journals (Sweden)

    B. G. Pummer

    2012-03-01

    Full Text Available The ice nucleation of bioaerosols (bacteria, pollen, spores, etc. is a topic of growing interest, since their impact on ice cloud formation and thus on radiative forcing, an important parameter in global climate, is not yet fully understood. Here we show that pollen of different species strongly differ in their ice nucleation behaviour. The average freezing temperatures in laboratory experiments range from 240 to 255 K. As the most efficient nuclei (silver birch, Scots pine and common juniper pollen have a distribution area up to the Northern timberline, their ice nucleation activity might be a cryoprotective mechanism. Far more intriguingly, it has turned out that water, which has been in contact with pollen and then been separated from the bodies, nucleates as good as the pollen grains themselves. The ice nuclei have to be easily-suspendable macromolecules located on the pollen. Once extracted, they can be distributed further through the atmosphere than the heavy pollen grains and so presumably augment the impact of pollen on ice cloud formation even in the upper troposphere. Our experiments lead to the conclusion that pollen ice nuclei, in contrast to bacterial and fungal ice nucleating proteins, are non-proteinaceous compounds.

  15. Electron Microscopy and Image Processing: Essential Tools for Structural Analysis of Macromolecules.

    Science.gov (United States)

    Belnap, David M

    2015-11-02

    Macromolecular electron microscopy typically depicts the structures of macromolecular complexes ranging from ∼200 kDa to hundreds of MDa. The amount of specimen required, a few micrograms, is typically 100 to 1000 times less than needed for X-ray crystallography or nuclear magnetic resonance spectroscopy. Micrographs of frozen-hydrated (cryogenic) specimens portray native structures, but the original images are noisy. Computational averaging reduces noise, and three-dimensional reconstructions are calculated by combining different views of free-standing particles ("single-particle analysis"). Electron crystallography is used to characterize two-dimensional arrays of membrane proteins and very small three-dimensional crystals. Under favorable circumstances, near-atomic resolutions are achieved. For structures at somewhat lower resolution, pseudo-atomic models are obtained by fitting high-resolution components into the density. Time-resolved experiments describe dynamic processes. Electron tomography allows reconstruction of pleiomorphic complexes and subcellular structures and modeling of macromolecules in their cellular context. Significant information is also obtained from metal-coated and dehydrated specimens. Copyright © 2015 John Wiley & Sons, Inc.

  16. Oxidative damage to macromolecules in human Parkinson disease and the rotenone model.

    Science.gov (United States)

    Sanders, Laurie H; Greenamyre, J Timothy

    2013-09-01

    Parkinson disease (PD), the most common neurodegenerative movement disorder, is associated with selective degeneration of nigrostriatal dopamine neurons. Although the underlying mechanisms contributing to neurodegeneration in PD seem to be multifactorial, mitochondrial impairment and oxidative stress are widely considered to be central to many forms of the disease. Whether oxidative stress is a cause or a consequence of dopaminergic death, there is substantial evidence for oxidative stress both in human PD patients and in animal models of PD, especially using rotenone, a complex I inhibitor. There are many indices of oxidative stress, but this review covers the recent evidence for oxidative damage to nucleic acids, lipids, and proteins in both the brain and the peripheral tissues in human PD and in the rotenone model. Limitations of the existing literature and future perspectives are discussed. Understanding how each particular macromolecule is damaged by oxidative stress and the interplay of secondary damage to other biomolecules may help us design better targets for the treatment of PD. Copyright © 2013 Elsevier Inc. All rights reserved.

  17. A new force-extension formula for stretched macromolecules and polymers based on the Ising model

    Science.gov (United States)

    Chan, Yue; Haverkamp, Richard G.

    2016-12-01

    In this paper, we derive a new force-extension formula for stretched macromolecules and homogeneous polymer matrices. The Ising model arising from paramagnetism is employed, where the magnetic force is replaced by the external force, and the resistance energy is addressed in this model instead of the usual persistent length arising from the freely jointed chain and worm-like chain models. While the force-extension formula reveals the distinctive stretching features for stretched polymers, the resistance energy is found to increase almost linearly with the external force for our two polysaccharides stretching examples with and without ring conformational changes. In particular, a jump in the resistance energy which is caused by a conformational transition is investigated, and the gap between the jump determines the energy barrier between two conformational configurations. Our theoretical model matches well with experimental results undergoing no and single conformational transitions, and a Monte Carlo simulation has also been performed to ensure the correctness of the resistance energy. This technique might also be employed to determine the binding energy from other causes during molecular stretching and provide vital information for further theoretical investigations.

  18. Role of macromolecules in the safety of use of body wash cosmetics.

    Science.gov (United States)

    Bujak, Tomasz; Wasilewski, Tomasz; Nizioł-Łukaszewska, Zofia

    2015-11-01

    One of the most challenging problems related to the use of surfactants in body wash cosmetics is their potential to cause skin irritations. Surfactants can bind with proteins, remove lipids from the epidermal surface, contribute to the disorganization of liquid crystal structures in the intercellular lipids, and interact with living skin cells. These processes can lead to skin irritations and allergic reactions, and impair the epidermal barrier function. The present study is an attempt to assess the effect of polymers and hydrolysed proteins present in the formulations of model body wash cosmetics on product properties. Special attention was given to the safety of use of this product type. The study examined three macromolecules: polyvinylpyrrolidone (PVP), hydrolysed wheat protein (HWP) and polyvinylpyrrolidone/hydrolysed wheat protein crosspolymer (PVP/HWP). The addition of the substances under study was found to improve the foaming properties of body wash cosmetics, increase their stability during storage, and contribute significantly to an improvement in the safety of product use by reducing the irritant potential. The strongest ability to reduce the skin irritation potential was determined for the formula enriched with the PVP/HWP crosspolymer.

  19. Upgraded ESRF BM29 beamline for SAXS on macromolecules in solution.

    Science.gov (United States)

    Pernot, Petra; Round, Adam; Barrett, Ray; De Maria Antolinos, Alejandro; Gobbo, Alexandre; Gordon, Elspeth; Huet, Julien; Kieffer, Jerôme; Lentini, Mario; Mattenet, Muriel; Morawe, Christian; Mueller-Dieckmann, Christoph; Ohlsson, Staffan; Schmid, Werner; Surr, John; Theveneau, Pascal; Zerrad, Louiza; McSweeney, Sean

    2013-07-01

    Small-angle X-ray scattering (SAXS) measurements of proteins in solution are becoming increasingly popular with biochemists and structural biologists owing to the presence of dedicated high-throughput beamlines at synchrotron sources. As part of the ESRF Upgrade program a dedicated instrument for performing SAXS from biological macromolecules in solution (BioSAXS) has been installed at the renovated BM29 location. The optics hutch has been equipped with new optical components of which the two principal elements are a fixed-exit double multilayer monochromator and a 1.1 m-long toroidal mirror. These new dedicated optics give improved beam characteristics (compared with the previous set-up on ID14-3) regarding the energy tunability, flux and focusing at the detector plane leading to reduced parasitic scattering and an extended s-range. User experiments on the beamline have been successfully carried out since June 2012. A description of the new BioSAXS beamline and the set-up characteristics are presented together with examples of obtained data.

  20. Detection of Macromolecules in Desert Cyanobacteria Mixed with a Lunar Mineral Analogue After Space Simulations

    Science.gov (United States)

    Baqué, Mickael; Verseux, Cyprien; Rabbow, Elke; de Vera, Jean-Pierre Paul; Billi, Daniela

    2014-09-01

    In the context of future exposure missions in Low Earth Orbit and possibly on the Moon, two desert strains of the cyanobacterium Chroococcidiopsis, strains CCMEE 029 and 057, mixed or not with a lunar mineral analogue, were exposed to fractionated fluencies of UVC and polychromatic UV (200-400 nm) and to space vacuum. These experiments were carried out within the framework of the BIOMEX (BIOlogy and Mars EXperiment) project, which aims at broadening our knowledge of mineral-microorganism interaction and the stability/degradation of their macromolecules when exposed to space and simulated Martian conditions. The presence of mineral analogues provided a protective effect, preserving survivability and integrity of DNA and photosynthetic pigments, as revealed by testing colony-forming abilities, performing PCR-based assays and using confocal laser scanning microscopy. In particular, DNA and pigments were still detectable after 500 kJ/m2 of polychromatic UV and space vacuum (10-4 Pa), corresponding to conditions expected during one-year exposure in Low Earth Orbit on board the EXPOSE-R2 platform in the presence of 0.1 % Neutral Density (ND) filter. After exposure to high UV fluencies (800 MJ/m2) in the presence of minerals, however, altered fluorescence emission spectrum of the photosynthetic pigments were detected, whereas DNA was still amplified by PCR. The present paper considers the implications of such findings for the detection of biosignatures in extraterrestrial conditions and for putative future lunar missions.

  1. New beamline dedicated to solution scattering from biological macromolecules at the ESRF

    Energy Technology Data Exchange (ETDEWEB)

    Pernot, P; Theveneau, P; Giraud, T; Fernandes, R Nogueira; Nurizzo, D; Spruce, D; Surr, J; McSweeney, S [ESRF, BP 220, Grenoble (France); Round, A; Felisaz, F; Foedinger, L; Gobbo, A; Huet, J; Villard, C; Cipriani, F, E-mail: rejma@esrf.f, E-mail: around@embl.f [EMBL Grenoble, BP 181, Grenoble (France)

    2010-10-01

    The new bio-SAXS beamline (ID14-3 at the ESRF, Grenoble, France) is dedicated exclusively to small-angle scattering experiments of biological macromolecules in solution and has been in user operation since November 2008. Originally a protein crystallography beamline, ID14-3 was refurbished, still as a part of the ESRF Structural Biology group, with the main aim to provide a facility with 'quick and easy' access to satisfy rapidly growing demands from crystallographers, biochemists and structural biologists. The beamline allows manual and automatic sample loading/unloading, data collection, processing (conversion of a 2D image to a normalized 1D X-ray scattering profile) and analysis. The users obtain on-line standard data concerning the size (radius of gyration, maximum dimension and volume) and molecular weight of samples which allow on-the fly ab-inito shape reconstruction in order to provide feedback enabling the data collection strategies to be optimized. Automation of sample loading is incorporated on the beamline using a device constructed in collaboration between the EMBL (Grenoble and Hamburg outstations) and the ESRF. Semi/automated data analysis is implemented following the model of the SAXS facility at X33, EMBL Hamburg. This paper describes the bio-SAXS beamline and set-up characteristics together with the examples of user data obtained.

  2. Electrospun ECM macromolecules as biomimetic scaffold for regenerative medicine: challenges for preserving conformation and bioactivity

    Directory of Open Access Journals (Sweden)

    Chiara Emma Campiglio

    2017-05-01

    Full Text Available The extracellular matrix (ECM, the physiological scaffold for cells in vivo, provides structural support to cells and guaranties tissue integrity. At the same time, however, it represents an extremely complex and finely tuned signaling environment that contributes in regulating tissue homeostasis and repair. ECM can bind, release and activate signaling molecules and also modulate cell reaction to soluble factors. Cell-ECM interactions, as a result, are recognized to be critical for physiological wound healing, and consequently in guiding regeneration. Due to its complexity, mimicking ECM chemistry and architecture appears a straightforward strategy to exploit the benefits of a biologically recognizable and cell-instructive environment. As ECM consists primarily of sub-micrometric fibers, electrospinning, a simple and versatile technique, has attracted the majority efforts aimed at reprocessing of biologically occurring molecules. However, the ability to trigger specific cellular behavior is likely to depend on both the chemical and conformational properties of biological molecules. As a consequence, when ECM macromolecules are electrospun, investigating the effect of processing on their structure, and the extent to which their potential in directing cellular behavior is preserved, appears crucial. In this perspective, this review explores the electrospinning of ECM molecules specifically focusing on the effect of processing on polymer structure and on in vitro or in vivo experiments designed to confirm the maintenance of their instructive role.

  3. Microfiberoptic fluorescence photobleaching reveals size-dependent macromolecule diffusion in extracellular space deep in brain.

    Science.gov (United States)

    Zador, Zsolt; Magzoub, Mazin; Jin, Songwan; Manley, Geoffrey T; Papadopoulos, Marios C; Verkman, A S

    2008-03-01

    Diffusion in brain extracellular space (ECS) is important for nonsynaptic intercellular communication, extracellular ionic buffering, and delivery of drugs and metabolites. We measured macromolecular diffusion in normally light-inaccessible regions of mouse brain by microfiberoptic epifluorescence photobleaching, in which a fiberoptic with a micron-size tip is introduced deep in brain tissue. In brain cortex, the diffusion of a noninteracting molecule [fluorescein isothiocyanate (FITC)-dextran, 70 kDa] was slowed 4.5 +/- 0.5-fold compared with its diffusion in water (D(o)/D), and was depth-independent down to 800 microm from the brain surface. Diffusion was significantly accelerated (D(o)/D of 2.9+/-0.3) in mice lacking the glial water channel aquaporin-4. FITC-dextran diffusion varied greatly in different regions of brain, with D(o)/D of 3.5 +/- 0.3 in hippocampus and 7.4 +/- 0.3 in thalamus. Remarkably, D(o)/D in deep brain was strongly dependent on solute size, whereas diffusion in cortex changed little with solute size. Mathematical modeling of ECS diffusion required nonuniform ECS dimensions in deep brain, which we call "heterometricity," to account for the size-dependent diffusion. Our results provide the first data on molecular diffusion in ECS deep in brain in vivo and demonstrate previously unrecognized hindrance and heterometricity for diffusion of large macromolecules in deep brain.

  4. Electrodynamics of Radiating Charges

    Directory of Open Access Journals (Sweden)

    Øyvind Grøn

    2012-01-01

    Full Text Available The theory of electrodynamics of radiating charges is reviewed with special emphasis on the role of the Schott energy for the conservation of energy for a charge and its electromagnetic field. It is made clear that the existence of radiation from a charge is not invariant against a transformation between two reference frames that has an accelerated motion relative to each other. The questions whether the existence of radiation from a uniformly accelerated charge with vanishing radiation reaction force is in conflict with the principle of equivalence and whether a freely falling charge radiates are reviewed. It is shown that the resolution of an electromagnetic “perpetuum mobile paradox” associated with a charge moving geodetically along a circular path in the Schwarzschild spacetime requires the so-called tail terms in the equation of motion of a charged particle.

  5. Combining Two Methods of Sequence Definition in a Convergent Approach: Scalable Synthesis of Highly Defined and Multifunctionalized Macromolecules.

    Science.gov (United States)

    Solleder, Susanne C; Martens, Steven; Espeel, Pieter; Du Prez, Filip; Meier, Michael A R

    2017-08-23

    The straightforward convergent synthesis of sequence-defined and multifunctionalized macromolecules is described herein. The first combination of two efficient approaches for the synthesis of sequence-defined macromolecules is reported: thiolactone chemistry and the Passerini three-component reaction (P-3CR). The thiolactone moiety was used as protecting group for the thiol, allowing the synthesis of a library of sequence-defined α,ω-functionalized building blocks. These building blocks were subsequently efficiently coupled to oligomers with carboxylic acid functionalities in a P-3CR. Thus, larger oligomers with molecular weights of up to 4629.73 g mol(-1) were obtained in gram quantities in a convergent approach along with the introduction of independently selectable side chains (up to 15), thus clearly demonstrating the high versatility and the efficiency of the reported approach. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Coil-globule transition of macromolecules in mixed solvent: A semi-grand canonical molecular dynamics approach

    Science.gov (United States)

    Mukherji, Debashish; Kremer, Kurt

    2014-03-01

    Conformational transition of macromolecules in mixed solvents are intimately linked to large local concentration fluctuations of solvent components. The numerical studies in the field are limited to the closed boundary schemes, which, however, suffer from severe system size effects. To overcome this discrepancy, we have developed a semi-grand canonical molecular dynamics scheme for complex fluids. Our method makes use of the adaptive resolution scheme (AdResS) with a metropolis particle exchange criterion. In AdResS, an all-atom region, containing macromolecule, is coupled to a coarse-grained (CG) reservoir. The semi-grand canonical particle exchange is performed in the CG region. As the applications of the method, we study the concentration driven reentrant collapse and swelling transition of poly(N-isopropylacrylamide) (PNIPAm) and poly(N,N-diethylacrylamide) (PDEAm) in aqueous methanol and demonstrate the role of the delicate interplay of the different intermolecular interactions.

  7. Solubility and stability of curcumin in solutions containing alginate and other viscosity modifying macromolecules. Studies of curcumin and curcuminoids. XXX.

    Science.gov (United States)

    Tønnesen, H Hjorth

    2006-08-01

    The solubility, chemical- and photochemical stability of curcumin in aqueous solutions containing alginate, gelatin or other viscosity modifying macromolecules have been investigated in order to obtain an alternative to the use of surfactants or cyclodextrins. The solubility of curcumin in aqueous solution at pH 5 increased by a factor > or = 10(4) in the presence of 0.5% (w/v) alginate (various qualities) or gelatin compared to plain buffer, while propylene glycol alginate ester, cesapectin and sodium carboxymethyl cellulose did not have a similar solubilizing effect. The solubilization was slightly influenced by pH, ionic strength and type and concentration of buffer salts. The macromolecules do, however, not stabilize towards hydrolytic- or photolytic degradation of curcumin.

  8. Charge-state-dependent energy loss of slow ions. I. Experimental results on the transmission of highly charged ions

    Science.gov (United States)

    Wilhelm, Richard A.; Gruber, Elisabeth; Smejkal, Valerie; Facsko, Stefan; Aumayr, Friedrich

    2016-05-01

    We report on energy loss measurements of slow (v ≪v0 ), highly charged (Q >10 ) ions upon transmission through a 1-nm-thick carbon nanomembrane. We emphasize here the scaling of the energy loss with the velocity and charge exchange or loss. We show that a weak linear velocity dependence exists, whereas charge exchange dominates the kinetic energy loss, especially in the case of a large charge capture. A universal scaling of the energy loss with the charge exchange and velocity is found and discussed in this paper. A model for charge-state-dependent energy loss for slow ions is presented in paper II in this series [R. A. Wilhelm and W. Möller, Phys. Rev. A 93, 052709 (2016), 10.1103/PhysRevA.93.052709].

  9. [The contribution of magnetic resonance spectroscopy to the classification of high grade gliomas. The predictive value of macromolecules].

    Science.gov (United States)

    Martínez-Bisbal, M C; Celda-Muñoz, B; Martí-Bonmatí, L; Ferrer-Ripollés, P; Revert-Ventura, A J; Piquer-Belloch, J; Mollá-Olmos, E; Arana-Fernández de Moya, E; Dosdá-Muñoz, R

    1H MRS allows the study of metabolite concentration changes in intracranial tumours, relating them, more or less successfully, to the histological type and grade of the tumour. To analyse the patterns which are useful for classifying the grades of cerebral gliomas by means of various ratios obtained using 1H MRS with two echo times (ET), with and without water suppression, paying special attention to the macromolecules. We studied 8 gliomas (1 grade II, 2 grade III and 5 grade IV) with single volume 1H MRS at ET 31 ms (8/8) and 136 ms (7/8). The intensities of the metabolites, including macromolecules (MMA, 0.9 ppm; MMB, 1.3 ppm), were normalised to water signal intensity for ET 31, to Cr at ET 31 and 136 ms and NAA/Cho for both ET and the ratio MMA/MMB at ET 31. There were significant differences between the three grades on the ratios MMA/MMB (p= 0.000) with descent of the MMA/MMB coefficient as the grade increases, and NNA/Cho at ET 136 (p= 0.018). We found an inverse relationship between the quantity in mI and the increase in grade. No macromolecules were found at ET 136 in any of the tumours of grade II or III. The spectra of gliomas with ET 31 showed macromolecules around 0.9 and 1.3 ppm with different relative ratios for each tumour grade. The ET 136 spectra informs about the content of NNA and Cho. Apart from the increase in MMB (0.9 ppm), with short ET the higher grades showed lower content of mI. The study of gliomas using 1H MRS with ET 31 and 136 ms contributes to the diagnosis of the grade of tumour.

  10. A Redox-Activatable Fluorescent Sensor for the High-Throughput Quantification of Cytosolic Delivery of Macromolecules.

    Science.gov (United States)

    Wang, Zhaohui; Luo, Min; Mao, Chengqiong; Wei, Qi; Zhao, Tian; Li, Yang; Huang, Gang; Gao, Jinming

    2017-01-24

    Efficient delivery of biomacromolecules (e.g., proteins, nucleic acids) into cell cytosol remains a critical challenge for the development of macromolecular therapeutics or diagnostics. To date, most common approaches to assess cytosolic delivery rely on fluorescent labeling of macromolecules with an "always on" reporter and subcellular imaging of endolysosomal escape by confocal microscopy. This strategy is limited by poor signal-to-noise ratio and only offers low throughput, qualitative information. Herein we describe a quantitative redox-activatable sensor (qRAS) for the real-time monitoring of cytosolic delivery of macromolecules. qRAS-labeled macromolecules are silent (off) inside the intact endocytic organelles, but can be turned on by redox activation after endolysosomal disruption and delivery into the cytosol, thereby greatly improving the detection accuracy. In addition to confocal microscopy, this quantitative sensing technology allowed for a high-throughput screening of a panel of polymer carriers toward efficient cytosolic delivery of model proteins on a plate reader. The simple and versatile qRAS design offers a useful tool for the investigation of new strategies for endolysosomal escape of biomacromolecules to facilitate the development of macromolecular therapeutics for a variety of disease indications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Combined small angle X-ray solution scattering with atomic force microscopy for characterizing radiation damage on biological macromolecules.

    Science.gov (United States)

    Costa, Luca; Andriatis, Alexander; Brennich, Martha; Teulon, Jean-Marie; Chen, Shu-Wen W; Pellequer, Jean-Luc; Round, Adam

    2016-10-27

    Synchrotron radiation facilities are pillars of modern structural biology. Small-Angle X-ray scattering performed at synchrotron sources is often used to characterize the shape of biological macromolecules. A major challenge with high-energy X-ray beam on such macromolecules is the perturbation of sample due to radiation damage. By employing atomic force microscopy, another common technique to determine the shape of biological macromolecules when deposited on flat substrates, we present a protocol to evaluate and characterize consequences of radiation damage. It requires the acquisition of images of irradiated samples at the single molecule level in a timely manner while using minimal amounts of protein. The protocol has been tested on two different molecular systems: a large globular tetremeric enzyme (β-Amylase) and a rod-shape plant virus (tobacco mosaic virus). Radiation damage on the globular enzyme leads to an apparent increase in molecular sizes whereas the effect on the long virus is a breakage into smaller pieces resulting in a decrease of the average long-axis radius. These results show that radiation damage can appear in different forms and strongly support the need to check the effect of radiation damage at synchrotron sources using the presented protocol.

  12. Membrane-active macromolecules kill antibiotic-tolerant bacteria and potentiate antibiotics towards Gram-negative bacteria.

    Science.gov (United States)

    Uppu, Divakara S S M; Konai, Mohini M; Sarkar, Paramita; Samaddar, Sandip; Fensterseifer, Isabel C M; Farias-Junior, Celio; Krishnamoorthy, Paramanandam; Shome, Bibek R; Franco, Octávio L; Haldar, Jayanta

    2017-01-01

    Chronic bacterial biofilms place a massive burden on healthcare due to the presence of antibiotic-tolerant dormant bacteria. Some of the conventional antibiotics such as erythromycin, vancomycin, linezolid, rifampicin etc. are inherently ineffective against Gram-negative bacteria, particularly in their biofilms. Here, we report membrane-active macromolecules that kill slow dividing stationary-phase and antibiotic tolerant cells of Gram-negative bacteria. More importantly, these molecules potentiate antibiotics (erythromycin and rifampicin) to biofilms of Gram-negative bacteria. These molecules eliminate planktonic bacteria that are liberated after dispersion of biofilms (dispersed cells). The membrane-active mechanism of these molecules forms the key for potentiating the established antibiotics. Further, we demonstrate that the combination of macromolecules and antibiotics significantly reduces bacterial burden in mouse burn and surgical wound infection models caused by Acinetobacter baumannii and Carbapenemase producing Klebsiella pneumoniae (KPC) clinical isolate respectively. Colistin, a well-known antibiotic targeting the lipopolysaccharide (LPS) of Gram-negative bacteria fails to kill antibiotic tolerant cells and dispersed cells (from biofilms) and bacteria develop resistance to it. On the contrary, these macromolecules prevent or delay the development of bacterial resistance to known antibiotics. Our findings emphasize the potential of targeting the bacterial membrane in antibiotic potentiation for disruption of biofilms and suggest a promising strategy towards developing therapies for topical treatment of Gram-negative infections.

  13. Diffusion and partitioning of macromolecules in casein microgels: evidence for size-dependent attractive interactions in a dense protein system.

    Science.gov (United States)

    Peixoto, Paulo D S; Bouchoux, Antoine; Huet, Sébastien; Madec, Marie-Noëlle; Thomas, Daniel; Floury, Juliane; Gésan-Guiziou, Geneviève

    2015-02-10

    Understanding the mechanisms that determine the diffusion and interaction of macromolecules (such as proteins and polysaccharides) that disperse through dense media is an important fundamental issue in the development of innovative technological and medical applications. In the current work, the partitioning and diffusion of macromolecules of different sizes (from 4 to 10 nm in diameter) and shapes (linear or spherical) within dispersions of casein micelles (a protein microgel) is studied. The coefficients for diffusion and partition are measured using FRAP (fluorescence recovery after photobleaching) and analyzed with respect to the structural characteristics of the microgel determined by the use of TEM (transmission electron microscopy) tomography. The results show that the casein microgel displays a nonspecific attractive interaction for all macromolecules studied. When the macromolecular probes are spherical, this affinity is clearly size-dependent, with stronger attraction for the larger probes. The current data show that electrostatic effects cannot account for such an attraction. Rather, nonspecific hydration molecular forces appear to explain these results. These findings show how weak nonspecific forces affect the diffusion and partitioning of proteins and polysaccharides in a dense protein environment. These results could be useful to better understand the mechanisms of diffusion and partitioning in other media such as cells and tissues. Furthermore, there arises the possibility of using the casein micelle as a size-selective molecular device.

  14. The mechanical hybrid vehicle: an investigation of a flywheel-based vehicular regenerative energy capture system

    OpenAIRE

    Diego-Ayala, U.; Martinez-Gonzalez, P.; McGlashan, N; Pullen, K. R.

    2008-01-01

    Capturing braking energy by regeneration into an onboard energy storage unit offers the potential to reduce significantly the fuel consumption of vehicles. A common technique is to generate electricity in the motors of a hybrid electric vehicle when braking, and to use this to charge an onboard electrochemical battery. However, such batteries are costly, bulky, and generally not amenable to fast charging as this affects battery life and capacity. In order to overcome these problems, a mechani...

  15. Charge migration induced by attosecond pulses in bio-relevant molecules

    Science.gov (United States)

    Calegari, Francesca; Trabattoni, Andrea; Palacios, Alicia; Ayuso, David; Castrovilli, Mattea C.; Greenwood, Jason B.; Decleva, Piero; Martín, Fernando; Nisoli, Mauro

    2016-07-01

    After sudden ionization of a large molecule, the positive charge can migrate throughout the system on a sub-femtosecond time scale, purely guided by electronic coherences. The possibility to actively explore the role of the electron dynamics in the photo-chemistry of bio-relevant molecules is of fundamental interest for understanding, and perhaps ultimately controlling, the processes leading to damage, mutation and, more generally, to the alteration of the biological functions of the macromolecule. Attosecond laser sources can provide the extreme time resolution required to follow this ultrafast charge flow. In this review we will present recent advances in attosecond molecular science: after a brief description of the results obtained for small molecules, recent experimental and theoretical findings on charge migration in bio-relevant molecules will be discussed.

  16. Measuring the size and charge of single nanoscale objects in solution using an electrostatic fluidic trap

    Science.gov (United States)

    Mojarad, Nassiredin; Krishnan, Madhavi

    2012-07-01

    Measuring the size and charge of objects suspended in solution, such as dispersions of colloids or macromolecules, is a significant challenge. Measurements based on light scattering are inherently biased to larger entities, such as aggregates in the sample, because the intensity of light scattered by a small object scales as the sixth power of its size. Techniques that rely on the collective migration of species in response to external fields (electric or hydrodynamic, for example) are beset with difficulties including low accuracy and dispersion-limited resolution. Here, we show that the size and charge of single nanoscale objects can be directly measured with high throughput by analysing their thermal motion in an array of electrostatic traps. The approach, which is analogous to Millikan's oil drop experiment, could in future be used to detect molecular binding events with high sensitivity or carry out dynamic single-charge resolved measurements at the solid/liquid interface.

  17. Carbon Capture: A Technology Assessment

    Science.gov (United States)

    2013-10-21

    time. The absence of a significant market for the novel technologies put them at a further disadvantage . This is similar to the situation for CO2...the overall CCS process applied to a power plant or other industrial process. The CO2 produced from carbon in the fossil fuels or biomass feedstock...Air or Oxygen Fossil Fuels; Biomass USEFUL PRODUCTS (e.g., electricity, fuels, chemicals, hydrogen) CO2 CO2 Capture & Compress CO2 Transport CO2

  18. Carbon Capture and Sequestration (CCS)

    Science.gov (United States)

    2009-06-19

    for the pre-combustion capture of CO2 is the use of Integrated Gasification Combined-Cycle ( IGCC ) technology to generate electricity.14 There are...currently four commercial IGCC plants worldwide (two in the United States) each with a capacity of about 250 MW. The technology has yet to make a major... IGCC is an electric generating technology in which pulverized coal is not burned directly but mixed with oxygen and water in a high-pressure gasifier

  19. Amphiphilic macromolecule nanoassemblies suppress smooth muscle cell proliferation and platelet adhesion.

    Science.gov (United States)

    Chan, Jennifer W; Lewis, Daniel R; Petersen, Latrisha K; Moghe, Prabhas V; Uhrich, Kathryn E

    2016-04-01

    While the development of second- and third-generation drug-eluting stents (DES) have significantly improved patient outcomes by reducing smooth muscle cell (SMC) proliferation, DES have also been associated with an increased risk of late-stent thrombosis due to delayed re-endothelialization and hypersensitivity reactions from the drug-polymer coating. Furthermore, DES anti-proliferative agents do not counteract the upstream oxidative stress that triggers the SMC proliferation cascade. In this study, we investigate biocompatible amphiphilic macromolecules (AMs) that address high oxidative lipoprotein microenvironments by competitively binding oxidized lipid receptors and suppressing SMC proliferation with minimal cytotoxicity. To determine the influence of nanoscale assembly on proliferation, micelles and nanoparticles were fabricated from AM unimers containing a phosphonate or carboxylate end-group, a sugar-based hydrophobic domain, and a hydrophilic poly(ethylene glycol) domain. The results indicate that when SMCs are exposed to high levels of oxidized lipid stimuli, nanotherapeutics inhibit lipid uptake, downregulate scavenger receptor expression, and attenuate scavenger receptor gene transcription in SMCs, and thus significantly suppress proliferation. Although both functional end-groups were similarly efficacious, nanoparticles suppressed oxidized lipid uptake and scavenger receptor expression more effectively compared to micelles, indicating the relative importance of formulation characteristics (e.g., higher localized AM concentrations and nanotherapeutic stability) in scavenger receptor binding as compared to AM end-group functionality. Furthermore, AM coatings significantly prevented platelet adhesion to metal, demonstrating its potential as an anti-platelet therapy to treat thrombosis. Thus, AM micelles and NPs can effectively repress early stage SMC proliferation and thrombosis through non-cytotoxic mechanisms, highlighting the promise of nanomedicine for

  20. Application of accelerator mass spectrometry to macromolecules: preclinical pharmacokinetic studies on a polybisphosphonate.

    Science.gov (United States)

    Salehpour, Mehran; Håkansson, Karl; Höglund, Urban; Grahn-Westin, Annika; Nilsson, Sten; Márquez, Marcela; Possnert, Göran; Holmberg, Anders R

    2011-09-15

    Data on the use of accelerator mass spectrometry (AMS) in conjunction with in vivo studies of macromolecular drugs are scarce. The present study shows the versatility of this technique when investigating the pharmacokinetics (PK) of a macromolecular drug candidate, a polybisphosphonate conjugate (ODX). The aforementioned is a polymer (molecular weight ~30 kDa) constituting a carbohydrate backbone with covalently linked ligands (aldendronate and aminoguanidine) and is intended for treatment of osteoporosis and the therapy of bone metastasis from prostate cancer. The conjugate is prepared through partial oxidation of the carbohydrate and sequential coupling of the ligands by reductive amination. (14)C was incorporated in the conjugate by means of coupling a commercially available (14)C-lysine in the conjugation sequence. Fifteen rats were injected intravenously with (14)C-labelled ODX (150 µg, 14 Bq/rat) and blood samples were collected at 1, 2, 4, 6, and 24 h post-injection (3 rats/time point). Liver, spleen and kidney samples were collected at 4 and 24 h post-injection. Blood from each time point (triplicate) were collected for AMS measurement determining the isotopic ratio ((14)C/(12)C) and consequently the drug concentration in blood. ODX showed a transient presence in blood circulation; 93% of the total dose was cleared from the circulation within 1 h. The half-life after 1 h was estimated to be about 3 h; 0.7% of the administered (14)C dose of ODX remained in circulation after 24 h. The major (14)C accumulation was in the liver, the spleen and the kidneys indicating the probable route of metabolism and excretion. This study demonstrates the versatility of AMS for pharmacological in vivo studies of macromolecules. Labelling with (14)C is relatively simple, inexpensive and the method requires minimal radioactivity, eliminating the need for radioprotection precautions in contrast to methods using scintillation counting.

  1. Sedimentation of Reversibly Interacting Macromolecules with Changes in Fluorescence Quantum Yield

    Science.gov (United States)

    Chaturvedi, Sumit K.; Zhao, Huaying; Schuck, Peter

    2017-04-01

    Sedimentation velocity analytical ultracentrifugation with fluorescence detection has emerged as a powerful method for the study of interacting systems of macromolecules. It combines picomolar sensitivity with high hydrodynamic resolution, and can be carried out with photoswitchable fluorophores for multi-component discrimination, to determine the stoichiometry, affinity, and shape of macromolecular complexes with dissociation equilibrium constants from picomolar to micromolar. A popular approach for data interpretation is the determination of the binding affinity by isotherms of weight-average sedimentation coefficients, sw. A prevailing dogma in sedimentation analysis is that the weight-average sedimentation coefficient from the transport method corresponds to the signal- and population-weighted average of all species. We show that this does not always hold true for systems that exhibit significant signal changes with complex formation - properties that may be readily encountered in practice, e.g., from a change in fluorescence quantum yield. Coupled transport in the reaction boundary of rapidly reversible systems can make significant contributions to the observed migration in a way that cannot be accounted for in the standard population-based average. Effective particle theory provides a simple physical picture for the reaction-coupled migration process. On this basis we develop a more general binding model that converges to the well-known form of sw with constant signals, but can account simultaneously for hydrodynamic co-transport in the presence of changes in fluorescence quantum yield. We believe this will be useful when studying interacting systems exhibiting fluorescence quenching, enhancement or Forster resonance energy transfer with transport methods.

  2. Dry powder inhalation of macromolecules using novel PEG-co-polyester microparticle carriers.

    Science.gov (United States)

    Tawfeek, Hesham M; Evans, Andrew R; Iftikhar, Abid; Mohammed, Afzal R; Shabir, Anjum; Somavarapu, Satyanarayana; Hutcheon, Gillian A; Saleem, Imran Y

    2013-01-30

    This study investigated optimizing the formulation parameters for encapsulation of a model mucinolytic enzyme, α-chymotrypsin (α-CH), within a novel polymer; poly(ethylene glycol)-co-poly(glycerol adipate-co-ω-pentadecalactone), PEG-co-(PGA-co-PDL) which were then applied to the formulation of DNase I. α-CH or DNase I loaded microparticles were prepared via spray drying from double emulsion (w(1)/o/w(2)) utilizing chloroform (CHF) as the organic solvent, L-leucine as a dispersibility enhancer and an internal aqueous phase (w(1)) containing PEG4500 or Pluronic(®) F-68 (PLF68). α-CH released from microparticles was investigated for bioactivity using the azocasein assay and the mucinolytic activity was assessed utilizing the degradation of mucin suspension assay. The chemical structure of PEG-co-(PGA-co-PDL) was characterized by (1)H NMR and FT-IR with both analyses confirming PEG incorporated into the polymer backbone, and any unreacted units removed. Optimum formulation α-CH-CHF/PLF68, 1% produced the highest bioactivity, enzyme encapsulation (20.08±3.91%), loading (22.31±4.34 μg/mg), FPF (fine particle fraction) (37.63±0.97%); FPD (fine particle dose) (179.88±9.43 μg), MMAD (mass median aerodynamic diameter) (2.95±1.61 μm), and the mucinolytic activity was equal to the native non-encapsulated enzyme up to 5h. DNase I-CHF/PLF68, 1% resulted in enzyme encapsulation (17.44±3.11%), loading (19.31±3.27 μg/mg) and activity (81.9±2.7%). The results indicate PEG-co-(PGA-co-PDL) can be considered as a potential biodegradable polymer carrier for dry powder inhalation of macromolecules for treatment of local pulmonary diseases.

  3. Composite Nanoformulation Therapeutics for Long-Term Ocular Delivery of Macromolecules.

    Science.gov (United States)

    Agrahari, Vibhuti; Agrahari, Vivek; Hung, Wei-Ting; Christenson, Lane K; Mitra, Ashim K

    2016-09-01

    The purpose of this investigation is to design and synthesize novel pentablock (PB) copolymer (PB-1: PCL-PLA-PEG-PLA-PCL) based nanoformulations suspended in a thermosensitive gelling copolymer (PB-2: mPEG-PCL-PLA-PCL-PEGm) termed as composite nanoformulation. The composite nanoformulation was prepared to provide a sustained delivery of macromolecules over a longer duration with negligible burst release effect. The delivery system was designed to be utilized for the treatment of posterior segment ocular diseases such as age-related (wet) macular degeneration, diabetic retinopathy, and diabetic macular edema. The novel PB copolymers were characterized for their functional groups by Fourier transform infrared spectroscopy, molecular weight and purity by (1)H NMR spectroscopy, and gel permeation chromatography. X-ray diffraction analysis was used to determine the crystallinity of copolymers. The size distribution of PB-1 nanoparticles (NPs) prepared using emulsification-solvent evaporation method was found to be ∼150 nm analyzed by nanoparticle tracking analysis. The % encapsulation efficiency and % drug loading were found to be 66.64% w/w ± 1.75 and 18.17% w/w ± 0.39, respectively, (n = 3). Different weight percentages (15 and 20 wt %) of the PB-2 copolymer have been utilized for in vitro release studies of IgG-Fab from composite nanoformulation. A negligible burst release with continuous near zero-order release has been observed from the composite nanoformulation analyzed up to 80 days. In vitro cell viability and biocompatibility studies performed on ocular (human corneal epithelial and retinal pigment epithelium) and mouse macrophage (RAW 264.7) cell lines showed that the synthesized PB copolymer based composite nanoformulations were safe for clinical applications. On the basis of the results observed, it is concluded that PB copolymer based composite nanoformulations can serve as a platform for ocular delivery of therapeutic proteins. In addition, the

  4. [Role of rapid movement of spin labels in interpreting EPR spectra for spin-labelled macromolecules].

    Science.gov (United States)

    Nikol'skiĭ, D O; Timofeev, V P

    2003-01-01

    The method of spin labeling was used to monitor quick movements of side residues in protein monocrystals. The EPR spectra of monocrystals of spin-labeled lysozyme at different orientations of the tetrahonal crystal relative to the direction of the magnetic field were interpreted using the molecular dynamics method. A simple model was proposed, which enables one to calculate the trajectory of movements of the spin label by the molecular dynamic method over a relatively short period of time. The entire "frozen" protein molecule and a "defrozen" spin-labeled amino acid residue were considered in the framework of the model. To calculate the trajectories in vacuum, a model of spin-labeled lysozyme was constructed, and the parameters of force potentials for the atoms of the protein molecule and the spin label were specified. It follows from the calculations that the protein environment sterically hinders the range of eventual angular reorientations of the reporter NO-group of nitroxyl incorporated into the spin label, thereby affecting the shape of the EPR spectrum. However, the scatter in the positions of the reporter group in the angular space turned out to correspond to the Gauss distribution. Using the atomic coordinates of the spin label, obtained in a chosen time interval by the method of molecular dynamics, and taking into account the distribution of the states of the spin label in the ensemble of spin-labeled macromolecules in the crystal, we simulated the EPR spectra of monocrystals of spin-labeled lysozyme. The theoretical EPR spectra coincide well with the experimental.

  5. Conformation-independent structural comparison of macromolecules with ProSMART

    Energy Technology Data Exchange (ETDEWEB)

    Nicholls, Robert A., E-mail: nicholls@mrc-lmb.cam.ac.uk [MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH (United Kingdom); Fischer, Marcus [University of California San Francisco, San Francisco, CA 94158 (United States); McNicholas, Stuart [University of York, Heslington, York YO10 5DD (United Kingdom); Murshudov, Garib N. [MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH (United Kingdom)

    2014-09-01

    The Procrustes Structural Matching Alignment and Restraints Tool (ProSMART) has been developed to allow local comparative structural analyses independent of the global conformations and sequence homology of the compared macromolecules. This allows quick and intuitive visualization of the conservation of backbone and side-chain conformations, providing complementary information to existing methods. The identification and exploration of (dis)similarities between macromolecular structures can help to gain biological insight, for instance when visualizing or quantifying the response of a protein to ligand binding. Obtaining a residue alignment between compared structures is often a prerequisite for such comparative analysis. If the conformational change of the protein is dramatic, conventional alignment methods may struggle to provide an intuitive solution for straightforward analysis. To make such analyses more accessible, the Procrustes Structural Matching Alignment and Restraints Tool (ProSMART) has been developed, which achieves a conformation-independent structural alignment, as well as providing such additional functionalities as the generation of restraints for use in the refinement of macromolecular models. Sensible comparison of protein (or DNA/RNA) structures in the presence of conformational changes is achieved by enforcing neither chain nor domain rigidity. The visualization of results is facilitated by popular molecular-graphics software such as CCP4mg and PyMOL, providing intuitive feedback regarding structural conservation and subtle dissimilarities between close homologues that can otherwise be hard to identify. Automatically generated colour schemes corresponding to various residue-based scores are provided, which allow the assessment of the conservation of backbone and side-chain conformations relative to the local coordinate frame. Structural comparison tools such as ProSMART can help to break the complexity that accompanies the constantly growing

  6. Phosphocholine-Modified Macromolecules and Canonical Nicotinic Agonists Inhibit ATP-Induced IL-1β Release.

    Science.gov (United States)

    Hecker, Andreas; Küllmar, Mira; Wilker, Sigrid; Richter, Katrin; Zakrzewicz, Anna; Atanasova, Srebrena; Mathes, Verena; Timm, Thomas; Lerner, Sabrina; Klein, Jochen; Kaufmann, Andreas; Bauer, Stefan; Padberg, Winfried; Kummer, Wolfgang; Janciauskiene, Sabina; Fronius, Martin; Schweda, Elke K H; Lochnit, Günter; Grau, Veronika

    2015-09-01

    IL-1β is a potent proinflammatory cytokine of the innate immune system that is involved in host defense against infection. However, increased production of IL-1β plays a pathogenic role in various inflammatory diseases, such as rheumatoid arthritis, gout, sepsis, stroke, and transplant rejection. To prevent detrimental collateral damage, IL-1β release is tightly controlled and typically requires two consecutive danger signals. LPS from Gram-negative bacteria is a prototypical first signal inducing pro-IL-1β synthesis, whereas extracellular ATP is a typical second signal sensed by the ATP receptor P2X7 that triggers activation of the NLRP3-containing inflammasome, proteolytic cleavage of pro-IL-1β by caspase-1, and release of mature IL-1β. Mechanisms controlling IL-1β release, even in the presence of both danger signals, are needed to protect from collateral damage and are of therapeutic interest. In this article, we show that acetylcholine, choline, phosphocholine, phosphocholine-modified LPS from Haemophilus influenzae, and phosphocholine-modified protein efficiently inhibit ATP-mediated IL-1β release in human and rat monocytes via nicotinic acetylcholine receptors containing subunits α7, α9, and/or α10. Of note, we identify receptors for phosphocholine-modified macromolecules that are synthesized by microbes and eukaryotic parasites and are well-known modulators of the immune system. Our data suggest that an endogenous anti-inflammatory cholinergic control mechanism effectively controls ATP-mediated release of IL-1β and that the same mechanism is used by symbionts and misused by parasites to evade innate immune responses of the host.

  7. The bipolar nature of charge resident on supposedly unipolar aerosols

    Energy Technology Data Exchange (ETDEWEB)

    O' Leary, M; Balachadran, W [School of Engineering and Design, Brunei University, Uxbridge, UB8 3PH (United Kingdom); Rogueda, P; Chambers, F [AstraZeneca R and D Charnwood, Bakewell Road, Loughborough, LE11 5RH (United Kingdom)], E-mail: mark.oleary@brunel.ac.uk

    2008-12-01

    Interest in aerosol electrostatic properties for optimisation of drug delivery within the lung has varied over time. The availability of the Dekati Electrostatic Low Pressure Impactor (ELPI) has facilitated several recent papers investigating distributions of aerosol size and charge. The ELPI operates in a similar fashion to conventional impactors fractionating the aerosol population by aerodynamic size. The impactor plates are electrically conducting and connected to electrometers allowing measurement of inherent aerosol charge transferred upon impaction. Results from pMDIs showing varying charge polarity with size have been cited as evidence of the bipolar nature of charge output. Sum charge over an aerosol measured by the ELPI is, however, simply net charge that may be seen to evolve with size. Electrostatic particle capture methods have been used to assess the nature of the charge resident on a pMDI aerosol population demonstrating unipolar output on the ELPI and have shown consistent bipolarity. Net charge output would have been measured as possessing single polarity but would consist of larger magnitude positive and negative components. Even moderate levels of bipolarity render as inherently flawed any attempt to characterise the level of charge on individual aerosol droplets or the entire population based solely on net charge data.

  8. Quantum crystallographic charge density of urea

    Directory of Open Access Journals (Sweden)

    Michael E. Wall

    2016-07-01

    Full Text Available Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the data is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. The results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.

  9. Quantum crystallographic charge density of urea.

    Science.gov (United States)

    Wall, Michael E

    2016-07-01

    Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the data is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. The results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.

  10. Quantum crystallographic charge density of urea

    Science.gov (United States)

    Wall, Michael E.

    2016-01-01

    Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the data is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. The results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement. PMID:27437111

  11. Charged Local Defects in Extended Systems

    Energy Technology Data Exchange (ETDEWEB)

    Schultz, Peter A.

    1999-05-25

    The conventional approach to treating charged defects in extended systems in first principles calculations is via the supercell approximation using a neutralizing jellium background charge. I explicitly demonstrate shortcomings of this standard approach and discuss the consequences. Errors in the electrostatic potential surface over the volume of a supercell are shown to be comparable to a band gap energy in semiconductor materials, for cell sizes typically used in first principles simulations. I present an alternate method for eliminating the divergence of the Coulomb potential in supercell calculations of charged defects in extended systems that embodies a correct treatment of the electrostatic potential in the local viciniq of the a charged defect, via a mixed boundary condition approach. I present results of first principles calculations of charged vacancies in NaCl that illustrate the importance of polarization effects once an accurate representation of the local potential is obtained. These polarization effects, poorly captured in small supercells, also impact the energetic on the scale of typical band gap energies.

  12. Characterization of an atomic hydrogen source for charge exchange experiments

    Science.gov (United States)

    Leutenegger, M. A.; Beiersdorfer, P.; Betancourt-Martinez, G. L.; Brown, G. V.; Hell, N.; Kelley, R. L.; Kilbourne, C. A.; Magee, E. W.; Porter, F. S.

    2016-11-01

    We characterized the dissociation fraction of a thermal dissociation atomic hydrogen source by injecting the mixed atomic and molecular output of the source into an electron beam ion trap containing highly charged ions and recording the x-ray spectrum generated by charge exchange using a high-resolution x-ray calorimeter spectrometer. We exploit the fact that the charge exchange state-selective capture cross sections are very different for atomic and molecular hydrogen incident on the same ions, enabling a clear spectroscopic diagnostic of the neutral species.

  13. Characterization of an atomic hydrogen source for charge exchange experiments

    Energy Technology Data Exchange (ETDEWEB)

    Leutenegger, M. A. [NASA Goddard Space Flight Center, Code 662, Greenbelt, Maryland 20771 (United States); CRESST/University of Maryland Baltimore County, 1000 Hilltop Circle, Baltimore, Maryland 21250 (United States); Beiersdorfer, P.; Brown, G. V.; Magee, E. W. [Lawrence Livermore National Laboratory, 7000 East Ave., Livermore, California 94550 (United States); Betancourt-Martinez, G. L. [NASA Goddard Space Flight Center, Code 662, Greenbelt, Maryland 20771 (United States); University of Maryland College Park, College Park, Maryland 20742 (United States); Hell, N. [Lawrence Livermore National Laboratory, 7000 East Ave., Livermore, California 94550 (United States); Dr. Karl-Remeis-Sternwarte and ECAP, FAU Erlangen-Nürnberg, Sternwartstr. 7, 96049 Bamberg (Germany); Kelley, R. L.; Kilbourne, C. A.; Porter, F. S. [NASA Goddard Space Flight Center, Code 662, Greenbelt, Maryland 20771 (United States)

    2016-11-15

    We characterized the dissociation fraction of a thermal dissociation atomic hydrogen source by injecting the mixed atomic and molecular output of the source into an electron beam ion trap containing highly charged ions and recording the x-ray spectrum generated by charge exchange using a high-resolution x-ray calorimeter spectrometer. We exploit the fact that the charge exchange state-selective capture cross sections are very different for atomic and molecular hydrogen incident on the same ions, enabling a clear spectroscopic diagnostic of the neutral species.

  14. Electrostatic forces in wind-pollination—Part 1: Measurement of the electrostatic charge on pollen

    Science.gov (United States)

    Bowker, George E.; Crenshaw, Hugh C.

    Under fair weather conditions, a weak electric field exists between negative charge induced on the surface of plants and positive charge in the air. This field is magnified around points (e.g. stigmas) and can reach values up to 3×10 6 V m -1. If wind-dispersed pollen grains are electrically charged, the electrostatic force (which is the product of the pollen's charge and the electric field at the pollen's location) could influence pollen capture. In this article, we report measurements of the electrostatic charge carried by wind-dispersed pollen grains. Pollen charge was measured using an adaptation of the Millikan oil-drop experiment for seven anemophilous plants: Acer rubrum, Cedrus atlantica, Cedrus deodara, Juniperus virginiana, Pinus taeda, Plantago lanceolata and Ulmus alata. All species had charged pollen, some were positive others negative. The distributions (number of pollen grains as a function of charge) were bipolar and roughly centered about zero although some distributions were skewed towards positive charges. Most pollen carried small amounts of charge, 0.8 fC in magnitude, on average. A few carried charges up to 40 fC. For Juniperus, pollen charges were also measured in nature and these results concurred with those found in the laboratory. For nearly all charged pollen grains, the likelihood that electrostatics influence pollen capture is evident.

  15. Radiative Capture of Twisted Electrons by Bare Ions

    CERN Document Server

    Matula, Oliver; Serbo, Valeriy G; Surzhykov, Andrey; Fritzsche, Stephan

    2014-01-01

    Recent advances in the production of twisted electron beams with a subnanometer spot size offer unique opportunities to explore the role of orbital angular momentum (OAM) in basic atomic processes. In the present work, we address one of these processes: radiative recombination of twisted electrons with bare ions. Based on the density matrix formalism and the non-relativistic Schr\\"odinger theory, analytical expressions are derived for the angular distribution and the linear polarization of photons emitted due to the capture of twisted electrons into the ground state of (hydrogen-like) ions. We show that these angular and polarization distributions are sensitive to both, the transverse momentum and the topological charge of the electron beam. To observe in particular the value of this charge, we propose an experiment that makes use of the coherent superposition of two twisted beams.

  16. Surface Charging and Points of Zero Charge

    CERN Document Server

    Kosmulski, Marek

    2009-01-01

    Presents Points of Zero Charge data on well-defined specimen of materials sorted by trademark, manufacturer, and location. This text emphasizes the comparison between particular results obtained for different portions of the same or very similar material and synthesizes the information published in research reports over the past few decades

  17. Electrostatics and charge regulation in polyelectrolyte multilayered assembly.

    Science.gov (United States)

    Cherstvy, Andrey G

    2014-05-01

    We examine the implications of electrostatic interactions on formation of polyelectrolyte multilayers, in application to field-effect based biosensors for label-free detection of charged macromolecules. We present a quantitative model to describe the experimental potentiometric observations and discuss its possibilities and limitations for detection of polyelectrolyte adsorption. We examine the influence of the ionic strength and pH on the sensor response upon polyelectrolyte layer-by-layer formation. The magnitude of potential oscillations on the sensor-electrolyte interface predicted upon repetitive adsorption charge-alternating polymers agrees satisfactorily with experimental results. The model accounts for different screening by mobile ions in electrolyte and inside tightly interdigitated multilayered structure. In particular, we show that sensors' potential oscillations are larger and more persistent at lower salt conditions, while they decay faster with the number of layers at higher salt conditions, in agreement with experiments. The effects of polyelectrolyte layer thickness, substrate potential, and charge regulation on the sensor surface triggered by layer-by-layer deposition are also analyzed.

  18. Local solid-state modification of nanopore surface charges

    CERN Document Server

    Kox, Ronald; Chen, Chang; Arjmandi, Nima; Lagae, Liesbet; Borghs, Gustaaf; 10.1088/0957-4484/21/33/335703

    2012-01-01

    The last decade, nanopores have emerged as a new and interesting tool for the study of biological macromolecules like proteins and DNA. While biological pores, especially alpha-hemolysin, have been promising for the detection of DNA, their poor chemical stability limits their use. For this reason, researchers are trying to mimic their behaviour using more stable, solid-state nanopores. The most successful tools to fabricate such nanopores use high energy electron or ions beams to drill or reshape holes in very thin membranes. While the resolution of these methods can be very good, they require tools that are not commonly available and tend to damage and charge the nanopore surface. In this work, we show nanopores that have been fabricated using standard micromachning techniques together with EBID, and present a simple model that is used to estimate the surface charge. The results show that EBID with a silicon oxide precursor can be used to tune the nanopore surface and that the surface charge is stable over a...

  19. Realistic costs of carbon capture

    Energy Technology Data Exchange (ETDEWEB)

    Al Juaied, Mohammed (Harvard Univ., Cambridge, MA (US). Belfer Center for Science and International Affiaris); Whitmore, Adam (Hydrogen Energy International Ltd., Weybridge (GB))

    2009-07-01

    There is a growing interest in carbon capture and storage (CCS) as a means of reducing carbon dioxide (CO2) emissions. However there are substantial uncertainties about the costs of CCS. Costs for pre-combustion capture with compression (i.e. excluding costs of transport and storage and any revenue from EOR associated with storage) are examined in this discussion paper for First-of-a-Kind (FOAK) plant and for more mature technologies, or Nth-of-a-Kind plant (NOAK). For FOAK plant using solid fuels the levelised cost of electricity on a 2008 basis is approximately 10 cents/kWh higher with capture than for conventional plants (with a range of 8-12 cents/kWh). Costs of abatement are found typically to be approximately US$150/tCO2 avoided (with a range of US$120-180/tCO2 avoided). For NOAK plants the additional cost of electricity with capture is approximately 2-5 cents/kWh, with costs of the range of US$35-70/tCO2 avoided. Costs of abatement with carbon capture for other fuels and technologies are also estimated for NOAK plants. The costs of abatement are calculated with reference to conventional SCPC plant for both emissions and costs of electricity. Estimates for both FOAK and NOAK are mainly based on cost data from 2008, which was at the end of a period of sustained escalation in the costs of power generation plant and other large capital projects. There are now indications of costs falling from these levels. This may reduce the costs of abatement and costs presented here may be 'peak of the market' estimates. If general cost levels return, for example, to those prevailing in 2005 to 2006 (by which time significant cost escalation had already occurred from previous levels), then costs of capture and compression for FOAK plants are expected to be US$110/tCO2 avoided (with a range of US$90-135/tCO2 avoided). For NOAK plants costs are expected to be US$25-50/tCO2. Based on these considerations a likely representative range of costs of abatement from CCS

  20. Algal Energy Conversion and Capture

    Science.gov (United States)

    Hazendonk, P.

    2015-12-01

    We address the potential for energy conversions and capture for: energy generation; reduction in energy use; reduction in greenhouse gas emissions; remediation of water and air pollution; protection and enhancement of soil fertility. These processes have the potential to sequester carbon at scales that may have global impact. Energy conversion and capture strategies evaluate energy use and production from agriculture, urban areas and industries, and apply existing and emerging technologies to reduce and recapture energy embedded in waste products. The basis of biocrude production from Micro-algal feedstocks: 1) The nutrients from the liquid fraction of waste streams are concentrated and fed into photo bioreactors (essentially large vessels in which microalgae are grown) along with CO2 from flue gasses from down stream processes. 2) The algae are processed to remove high value products such as proteins and beta-carotenes. The advantage of algae feedstocks is the high biomass productivity is 30-50 times that of land based crops and the remaining biomass contains minimal components that are difficult to convert to biocrude. 3) The remaining biomass undergoes hydrothermal liquefaction to produces biocrude and biochar. The flue gasses of this process can be used to produce electricity (fuel cell) and subsequently fed back into the photobioreactor. The thermal energy required for this process is small, hence readily obtained from solar-thermal sources, and furthermore no drying or preprocessing is required keeping the energy overhead extremely small. 4) The biocrude can be upgraded and refined as conventional crude oil, creating a range of liquid fuels. In principle this process can be applied on the farm scale to the municipal scale. Overall, our primary food production is too dependent on fossil fuels. Energy conversion and capture can make food production sustainable.

  1. Automated left ventricular capture management.

    Science.gov (United States)

    Crossley, George H; Mead, Hardwin; Kleckner, Karen; Sheldon, Todd; Davenport, Lynn; Harsch, Manya R; Parikh, Purvee; Ramza, Brian; Fishel, Robert; Bailey, J Russell

    2007-10-01

    The stimulation thresholds of left ventricular (LV) leads tend to be less reliable than conventional leads. Cardiac resynchronization therapy (CRT) requires continuous capture of both ventricles. The purpose of this study is to evaluate a novel algorithm for the automatic measurement of the stimulation threshold of LV leads in cardiac resynchronization systems. We enrolled 134 patients from 18 centers who had existing CRT-D systems. Software capable of automatically executing LV threshold measurements was downloaded into the random access memory (RAM) of the device. The threshold was measured by pacing in the left ventricle and analyzing the interventricular conduction sensed in the right ventricle. Automatic LV threshold measurements were collected and compared with manual LV threshold tests at each follow-up visit and using a Holter monitor system that recorded both the surface electrocardiograph (ECG) and continuous telemetry from the device. The proportion of Left Ventricular Capture Management (LVCM) in-office threshold tests within one programming step of the manual threshold test was 99.7% (306/307) with a two-sided 95% confidence interval of (98.2%, 100.0%). The algorithm measured the threshold successfully in 96% and 97% of patients after 1 and 3 months respectively. Holter monitor analysis in a subset of patients revealed accurate performance of the algorithm. This study demonstrated that the LVCM algorithm is safe, accurate, and highly reliable. LVCM worked with different types of leads and different lead locations. LVCM was demonstrated to be clinically equivalent to the manual LV threshold test. LVCM offers automatic measurement, output adaptation, and trends of the LV threshold and should result in improved ability to maintain LV capture without sacrificing device longevity.

  2. Objects capture perceived gaze direction.

    Science.gov (United States)

    Lobmaier, Janek S; Fischer, Martin H; Schwaninger, Adrian

    2006-01-01

    The interpretation of another person's eye gaze is a key element of social cognition. Previous research has established that this ability develops early in life and is influenced by the person's head orientation, as well as local features of the person's eyes. Here we show that the presence of objects in the attended space also has an impact on gaze interpretation. Eleven normal adults identified the fixation points of photographed faces with a mouse cursor. Their responses were systematically biased toward the locations of nearby objects. This capture of perceived gaze direction probably reflects the attribution of intentionality and has methodological implications for research on gaze perception.

  3. Why capture CO2 from the atmosphere?

    National Research Council Canada - National Science Library

    Keith, David W

    2009-01-01

    Air capture is an industrial process for capturing CO2 from ambient air; it is one of an emerging set of technologies for CO2 removal that includes geological storage of biotic carbon and the acceleration of geochemical weathering...

  4. Rain Drop Charge Sensor

    Science.gov (United States)

    S, Sreekanth T.

    begin{center} Large Large Rain Drop Charge Sensor Sreekanth T S*, Suby Symon*, G. Mohan Kumar (1) , S. Murali Das (2) *Atmospheric Sciences Division, Centre for Earth Science Studies, Thiruvananthapuram 695011 (1) D-330, Swathi Nagar, West Fort, Thiruvananthapuram 695023 (2) Kavyam, Manacaud, Thiruvananthapuram 695009 begin{center} ABSTRACT To study the inter-relations with precipitation electricity and precipitation microphysical parameters a rain drop charge sensor was designed and developed at CESS Electronics & Instrumentation Laboratory. Simultaneous measurement of electric charge and fall speed of rain drops could be done using this charge sensor. A cylindrical metal tube (sensor tube) of 30 cm length is placed inside another thick metal cover opened at top and bottom for electromagnetic shielding. Mouth of the sensor tube is exposed and bottom part is covered with metal net in the shielding cover. The instrument is designed in such a way that rain drops can pass only through unhindered inside the sensor tube. When electrically charged rain drops pass through the sensor tube, it is charged to the same magnitude of drop charge but with opposite polarity. The sensor tube is electrically connected the inverted input of a current to voltage converter operational amplifier using op-amp AD549. Since the sensor is electrically connected to the virtual ground of the op-amp, the charge flows to the ground and the generated current is converted to amplified voltage. This output voltage is recorded using a high frequency (1kHz) voltage recorder. From the recorded pulse, charge magnitude, polarity and fall speed of rain drop are calculated. From the fall speed drop diameter also can be calculated. The prototype is now under test running at CESS campus. As the magnitude of charge in rain drops is an indication of accumulated charge in clouds in lightning, this instrument has potential application in the field of risk and disaster management. By knowing the charge

  5. Effective interaction in asymmetric charged binary mixtures: the non-monotonic behaviour with the colloidal charge.

    Science.gov (United States)

    Peláez-Fernández, M; Callejas-Fernández, J; Moncho-Jordá, A

    2012-11-01

    In this work we study the effective force between charged spherical colloids induced by the presence of smaller charged spheres using Monte Carlo simulations. The analysis is performed for two size ratios, q = R(s)/R(b), two screened direct repulsions, κ, and two small particle packing fractions, Ø(s). We specially focus on the effect of the charge of the big colloids (Z(b)), and observe that the repulsion between big particles shows a non-monotonic behaviour: for sufficiently small charge, we find an anomalous regime where the total repulsion weakens by increasing the big colloid charge. For larger charges, the system recovers the usual behaviour and the big-big interaction becomes more repulsive increasing Z(b). This effect is linked to the existence of strong attractive depletion interactions caused by the small-big electrostatic repulsion. We have also calculated the effective force using the Ornstein-Zernike equation with the HNC closure. In general, this theory agrees with the simulation results, and is able to capture this non-monotonic behaviour.

  6. Induced Charge Capacitive Deionization

    CERN Document Server

    Rubin, S; Biesheuvel, P M; Bercovici, M

    2016-01-01

    We demonstrate the phenomenon of induced-charge capacitive deionization (ICCDI) that occurs around a porous and conducting particle immersed in an electrolyte, under the action of an external electrostatic field. The external electric field induces an electric dipole in the porous particle, leading to capacitive charging of its volume by both cations and anions at opposite poles. This regime is characterized both by a large RC charging time and a small electrochemical charge relaxation time, which leads to rapid and significant deionization of ionic species from a volume which is on the scale of the particle. We show by theory and experiment that the transient response around a cylindrical particle results in spatially non-uniform charging and non-steady growth of depletion regions which emerge around the particle's poles. Potentially, ICCDI can be useful in applications where fast concentration changes of ionic species are required over large volumes.

  7. Ionization and capture in water: a multi-differential cross sections study

    Science.gov (United States)

    Champion, Christophe; Galassi, Mariel E.; Weck, Philippe F.; Fojón, Omar; Hanssen, Jocelyn; Rivarola, Roberto D.

    2012-11-01

    Two quantum mechanical models (CB1 and CDW-EIS) are here presented to provide accurate multiple differential and total cross sections for describing the two most important ionizing processes, namely, ionization and capture induced by heavy charged particles in water. A detailed study of the influence of the target description on the cross section calculations is also provided.

  8. Ion-induced ionization and capture cross sections for DNA nucleobases impacted by light ions

    Science.gov (United States)

    Champion, Christophe; Galassi, Mariel E.; Weck, Philippe F.; Fojón, Omar; Hanssen, Jocelyn; Rivarola, Roberto D.

    2012-11-01

    Two quantum mechanical models (CB1 and CDW-EIS) are here presented for describing electron ionization and electron capture induced by heavy charged particles in DNA bases. Multiple differential and total cross sections are determined and compared with the scarce existing experimental data.

  9. On the cascade capture of electrons at donors in GaAs quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Aleshkin, V. Ya., E-mail: aleshkin@ipmras.ru [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation)

    2015-09-15

    The impact parameter for the cascade capture of electrons at a charged donor in a GaAs quantum well is calculated. A simple approximate analytical expression for the impact parameter is suggested. The temperature dependence of the impact parameter for the case of electron scattering by the piezoelectric potential of acoustic phonons is determined.

  10. Capturing Reality at Centre Block

    Science.gov (United States)

    Boulanger, C.; Ouimet, C.; Yeomans, N.

    2017-08-01

    The Centre Block of Canada's Parliament buildings, National Historic Site of Canada is set to undergo a major rehabilitation project that will take approximately 10 years to complete. In preparation for this work, Heritage Conservation Services (HCS) of Public Services and Procurement Canada has been completing heritage documentation of the entire site which includes laser scanning of all interior rooms and accessible confined spaces such as attics and other similar areas. Other documentation completed includes detailed photogrammetric documentation of rooms and areas of high heritage value. Some of these high heritage value spaces present certain challenges such as accessibility due to the height and the size of the spaces. Another challenge is the poor lighting conditions, requiring the use of flash or strobe lighting to either compliment or completely eliminate the available ambient lighting. All the spaces captured at this higher level of detail were also captured with laser scanning. This allowed the team to validate the information and conduct a quality review of the photogrammetric data. As a result of this exercise, the team realized that in most, if not all cases, the photogrammetric data was more detailed and at a higher quality then the terrestrial laser scanning data. The purpose and motivation of this paper is to present these findings, as well provide the advantages and disadvantages of the two methods and data sets.

  11. CAPTURING REALITY AT CENTRE BLOCK

    Directory of Open Access Journals (Sweden)

    C. Boulanger

    2017-08-01

    Full Text Available The Centre Block of Canada’s Parliament buildings, National Historic Site of Canada is set to undergo a major rehabilitation project that will take approximately 10 years to complete. In preparation for this work, Heritage Conservation Services (HCS of Public Services and Procurement Canada has been completing heritage documentation of the entire site which includes laser scanning of all interior rooms and accessible confined spaces such as attics and other similar areas. Other documentation completed includes detailed photogrammetric documentation of rooms and areas of high heritage value. Some of these high heritage value spaces present certain challenges such as accessibility due to the height and the size of the spaces. Another challenge is the poor lighting conditions, requiring the use of flash or strobe lighting to either compliment or completely eliminate the available ambient lighting. All the spaces captured at this higher level of detail were also captured with laser scanning. This allowed the team to validate the information and conduct a quality review of the photogrammetric data. As a result of this exercise, the team realized that in most, if not all cases, the photogrammetric data was more detailed and at a higher quality then the terrestrial laser scanning data. The purpose and motivation of this paper is to present these findings, as well provide the advantages and disadvantages of the two methods and data sets.

  12. The Effectiveness of Classroom Capture Technology

    Science.gov (United States)

    Ford, Maire B.; Burns, Colleen E.; Mitch, Nathan; Gomez, Melissa M.

    2012-01-01

    The use of classroom capture systems (systems that capture audio and video footage of a lecture and attempt to replicate a classroom experience) is becoming increasingly popular at the university level. However, research on the effectiveness of classroom capture systems in the university classroom has been limited due to the recent development and…

  13. The Effectiveness of Classroom Capture Technology

    Science.gov (United States)

    Ford, Maire B.; Burns, Colleen E.; Mitch, Nathan; Gomez, Melissa M.

    2012-01-01

    The use of classroom capture systems (systems that capture audio and video footage of a lecture and attempt to replicate a classroom experience) is becoming increasingly popular at the university level. However, research on the effectiveness of classroom capture systems in the university classroom has been limited due to the recent development and…

  14. Marker-Free Human Motion Capture

    DEFF Research Database (Denmark)

    Grest, Daniel

    Human Motion Capture is a widely used technique to obtain motion data for animation of virtual characters. Commercial optical motion capture systems are marker-based. This book is about marker-free motion capture and its possibilities to acquire motion from a single viewing direction. The focus...

  15. Taking Charge--Leading with Passion and Purpose in the Principalship

    Science.gov (United States)

    Shaw, Paul L.

    2011-01-01

    "Taking Charge" is a practical guide to the "craft knowledge" of leading schools from an experienced principal, school reformer, and educational consultant. Drawing on his own experiences as well as the experiences of other school leaders, Shaw captures the essence of what principals do and the leadership traits they need to take charge for school…

  16. Vascular permeability in a human tumour xenograft: molecular charge dependence.

    Science.gov (United States)

    Dellian, M; Yuan, F; Trubetskoy, V S; Torchilin, V P; Jain, R K

    2000-05-01

    Molecular charge is one of the main determinants of transvascular transport. There are, however, no data available on the effect of molecular charge on microvascular permeability of macromolecules in solid tumours. To this end, we measured tumour microvascular permeability to different proteins having similar size but different charge. Measurements were performed in the human colon adenocarcinoma LS174T transplanted in transparent dorsal skinfold chambers in severe combined immunodeficient (SCID) mice. Bovine serum albumin (BSA) and IgG were fluorescently labelled and were either cationized by conjugation with hexamethylenediamine or anionized by succinylation. The molecules were injected i.v. and the fluorescence in tumour tissue was quantified by intravital fluorescence microscopy. The fluorescence intensity and pharmacokinetic data were used to calculate the microvascular permeability. We found that tumour vascular permeability of cationized BSA (pI-range: 8.6-9.1) and IgG (pI: 8.6-9.3) was more than two-fold higher (4.25 and 4.65x10(-7) cm s(-1)) than that of the anionized BSA (pI approximately 2.0) and IgG (pI: 3.0-3.9; 1.11 and 1.93x10(-7) cm s(-1), respectively). Our results indicate that positively charged molecules extravasate faster in solid tumours compared to the similar-sized compounds with neutral or negative charges. However, the plasma clearance of cationic molecules was approximately 2x faster than that of anionic ones, indicating that the modification of proteins enhances drug delivery to normal organs as well. Therefore, caution should be exercised when such a strategy is used to improve drug and gene delivery to solid tumours.

  17. 高分子材料的老化研究%Aging studies of macromolecule

    Institute of Scientific and Technical Information of China (English)

    周勇

    2012-01-01

    The paper demonstrated the changes of surface physical properties, mechanical properties electrical properties caused by the aging of macromolecule, analyzed the internal factors and external factors inducing aging, such as chemical structure, physical morphology, stereo structure, molecular weight distribution, metal impurities, temperature, humidity, oxygen, light, chemical mediator, biological factors and so on; explained the aging evaluation method such as the natural aging test, artificial aging test, weather resistance method, heating aging experiment, hydrothermal aging test, ozone aging test, salt fog test, cold resistant test and anti fungus test; introduced the aging performance evaluation index on the physical properties, mechanical properties, microanalysis, durability and systematic analysis technology, inferred the future trend of preventive measures on heating aging, hydrothermal aging, oxidative aging photo aging and biological aging%本文介绍了由高分子材料老化引起的外观、物理性能、力学性能、电性能的变化;分析了引起高分子材料老化的内在因素和外在因素,例如化学结构、物理形态、立体规整性、分子量及其分布情况、金属杂质、温度、湿度、氧气、光照、化学介质、生物等;阐述了自然环境老化实验、人工加速老化实验、耐候性实验、热老化实验、湿热老化实验、臭氧老化实验、盐雾腐蚀实验、耐寒性实验、抗霉实验等老化评价方法和物理性能、力学性能、微观分析、耐久性能以及系统分析技术等老化性能评价指标;并对热老化预防措施、湿热老化预防措施、氧老化预防措施、光老化预防措施以及生物老化预防措施进行了展望。

  18. FUNCTION OF PHLOEM-BORNE INFORMATION MACROMOLECULES IN INTEGRATING PLANT GROWTH & DEVELOPMENT

    Energy Technology Data Exchange (ETDEWEB)

    William J. Lucas

    2012-11-12

    Studies on higher plants have revealed the operation of cell-to-cell and long-distance communication networks that mediate the transport of information macromolecules, such as proteins and RNA. Based on the findings from this DOE-funded project and results from other groups, it is now well established that the enucleate sieve tube system of the angiosperms contains a complex set of proteins including RNA binding proteins as well as a unique population of RNA molecules, comprised of both mRNA and small RNA species. Hetero-grafting experiments demonstrated that delivery of such RNA molecules, into the scion, is highly correlated with changes in developmental phenotypes. Furthermore, over the course of this project, our studies showed that plasmodesmata and the phloem are intimately involved in the local and systemic spread of sequence-specific signals that underlie gene silencing in plants. Major advances were also made in elucidating the underlying mechanisms that operate to mediate the selective entry and exit of proteins and RNA into and out of the phloem translocation stream. Our pioneering studies identified the first plant protein with the capacity to both bind specifically to small RNA molecules (si-RNA) and mediate in the cell-to-cell movement of such siRNA. Importantly, studies conducted with support from this DOE program also yielded a detailed characterization of the first phloem-mobile RNP complex isolated from pumpkin, namely the CmRBP50-RNP complex. This RNP complex was shown to bind, in a sequence-specific manner, to a set of transcripts encoding for transcription factors. The remarkable stability of this CmRBP50-RNP complex allows for long-distance delivery of bound transcripts from mature leaves into developing tissues and organs. Knowledge gained from this project can be used to exert control over the long-distance signaling networks used by plants to integrate their physiological and developmental programs at a whole plant level. Eventually, this

  19. Electrocatalytically switchable CO2 capture: first principle computational exploration of carbon nanotubes with pyridinic nitrogen.

    Science.gov (United States)

    Jiao, Yan; Zheng, Yao; Smith, Sean C; Du, Aijun; Zhu, Zhonghua

    2014-02-01

    Carbon nanotubes with specific nitrogen doping are proposed for controllable, highly selective, and reversible CO2 capture. Using density functional theory incorporating long-range dispersion corrections, we investigated the adsorption behavior of CO2 on (7,7) single-walled carbon nanotubes (CNTs) with several nitrogen doping configurations and varying charge states. Pyridinic-nitrogen incorporation in CNTs is found to induce an increasing CO2 adsorption strength with electron injecting, leading to a highly selective CO2 adsorption in comparison with N2 . This functionality could induce intrinsically reversible CO2 adsorption as capture/release can be controlled by switching the charge carrying state of the system on/off. This phenomenon is verified for a number of different models and theoretical methods, with clear ramifications for the possibility of implementation with a broader class of graphene-based materials. A scheme for the implementation of this remarkable reversible electrocatalytic CO2 -capture phenomenon is considered.

  20. Double-electron capture by highly-ionized atoms isolated at very low energy

    Science.gov (United States)

    Fogwell Hoogerheide, Shannon; Dreiling, Joan M.; Sahiner, Arda; Tan, Joseph N.

    2016-05-01

    Charge exchange with background gases, also known as electron capture processes, is important in the study of comets, controlled fusion energy, anti-matter atoms, and proposed one-electron ions in Rydberg states. However, there are few experiments in the very low energy regime that could be useful for further theoretical development. At NIST, highly-charged ions extracted from an electron-beam ion trap can be isolated with energy state. Analysis using a system of rate equations yields information about the ion cloud expansion and single-electron capture rates. A substantial amount of double-electron capture is also observed. We present the relative rates and discuss the error budget. SFH and JMD were funded by National Research Council Research Associateship Awards during some of this work.