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Sample records for bilayer structure determination

  1. Fluid bilayer structure determination: Joint refinement in composition space using X-ray and neutron diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    White, S.H. [Univ. of California, Irvine, CA (United States); Wiener, M.C. [Univ. of California, San Francisco, CA (United States)

    1994-12-31

    Experimentally-determined structural models of fluid lipid bilayers are essential for verifying molecular dynamics simulations of bilayers and for understanding the structural consequences of peptide interactions. The extreme thermal motion of bilayers precludes the possibility of atomic-level structural models. Defining {open_quote}the structure{close_quote} of a bilayer as the time-averaged transbilayer distribution of the water and the principal lipid structural groups such as the carbonyls and double-bonds (quasimolecular fragments), one can represent the bilayer structure as a sum of Gaussian functions referred to collectively as the quasimolecular structure. One method of determining the structure is by neutron diffraction combined with exhaustive specific deuteration. This method is impractical because of the expense of the chemical syntheses and the limited amount of neutron beam time currently available. We have therefore developed the composition space refinement method for combining X-ray and minimal neutron diffraction data to arrive at remarkably detailed and accurate structures of fluid bilayers. The composition space representation of the bilayer describes the probability of occupancy per unit length across the width of the bilayer of each quasimolecular component and permits the joint refinement of X-ray and neutron lamellar diffraction data by means of a single quasimolecular structure that is fitted simultaneously to both data sets. Scaling of each component by the appropriate neutron or X-ray scattering length maps the composition-space profile to the appropriate scattering length space for comparison to experimental data. The difficulty with the method is that fluid bilayer structures are generally only marginally determined by the experimental data. This means that the space of possible solutions must be extensively explored in conjunction with a thorough analysis of errors.

  2. Fluid bilayer structure determination: Joint refinement in composition space using X-ray and neutron diffraction data

    International Nuclear Information System (INIS)

    White, S.H.; Wiener, M.C.

    1994-01-01

    Experimentally-determined structural models of fluid lipid bilayers are essential for verifying molecular dynamics simulations of bilayers and for understanding the structural consequences of peptide interactions. The extreme thermal motion of bilayers precludes the possibility of atomic-level structural models. Defining open-quote the structure close-quote of a bilayer as the time-averaged transbilayer distribution of the water and the principal lipid structural groups such as the carbonyls and double-bonds (quasimolecular fragments), one can represent the bilayer structure as a sum of Gaussian functions referred to collectively as the quasimolecular structure. One method of determining the structure is by neutron diffraction combined with exhaustive specific deuteration. This method is impractical because of the expense of the chemical syntheses and the limited amount of neutron beam time currently available. We have therefore developed the composition space refinement method for combining X-ray and minimal neutron diffraction data to arrive at remarkably detailed and accurate structures of fluid bilayers. The composition space representation of the bilayer describes the probability of occupancy per unit length across the width of the bilayer of each quasimolecular component and permits the joint refinement of X-ray and neutron lamellar diffraction data by means of a single quasimolecular structure that is fitted simultaneously to both data sets. Scaling of each component by the appropriate neutron or X-ray scattering length maps the composition-space profile to the appropriate scattering length space for comparison to experimental data. The difficulty with the method is that fluid bilayer structures are generally only marginally determined by the experimental data. This means that the space of possible solutions must be extensively explored in conjunction with a thorough analysis of errors

  3. Structural refinement of vitreous silica bilayers

    Science.gov (United States)

    Sadjadi, Mahdi; Wilson, Mark; Thorpe, M. F.

    The importance of glasses resides not only in their applications but in fundamental questions that they put forth. The continuous random network model can successfully describe the glass structure, but determining details, like ring statistics, has always been difficult using only diffraction data. But recent atomic images of 2D vitreous silica bilayers can offer valuable new insights which are hard to be observed directly in 3D silica models/experiments (for references see). However, the experimental results are prone to uncertainty in atomic positions, systematic errors, and being finite. We employ special boundary conditions developed for such networks to refine the experimental structures. We show the best structure can be found by using various potentials to maximize information gained from the experimental samples. We find a range of densities, the so-called flexibility window, in which tetrahedra are perfect. We compare results from simulations using harmonic potentials, MD with atomic polarizabilities included and DFT. We should thank David Drabold and Bishal Bhattarai for useful discussions. Support through NSF Grant # DMS 1564468 is gratefully acknowledged.

  4. Electronic band structure of magnetic bilayer graphene superlattices

    International Nuclear Information System (INIS)

    Pham, C. Huy; Nguyen, T. Thuong; Nguyen, V. Lien

    2014-01-01

    Electronic band structure of the bilayer graphene superlattices with δ-function magnetic barriers and zero average magnetic flux is studied within the four-band continuum model, using the transfer matrix method. The periodic magnetic potential effects on the zero-energy touching point between the lowest conduction and the highest valence minibands of pristine bilayer graphene are exactly analyzed. Magnetic potential is shown also to generate the finite-energy touching points between higher minibands at the edges of Brillouin zone. The positions of these points and the related dispersions are determined in the case of symmetric potentials.

  5. Model for the structure of the lipid bilayer

    International Nuclear Information System (INIS)

    Pastor, R.W.; Venable, R.M.; Karplus, M.

    1991-01-01

    A detailed model for the structure and dynamics of the interior of the lipid bilayer in the liquid crystal phase is presented. The model includes two classes of motion: (i) the internal dynamics of the chains, determined from Brownian dynamics simulations with a continuous version of the Marcelja mean-field potential, and (ii) noncollective reorientation (axial rotation and wobble) of the entire molecule, introduced by a cone model. The basic unit of the model is a single lipid chain with field parameters adjusted to fit the 2H order parameters and the frequency-dependent 13C NMR T1 relaxation times of dipalmitoyl phosphatidylcholine bilayers. The chain configurations obtained from the trajectory are used to construct a representation of the bilayer. The resulting lipid assembly is consistent with NMR, neutron diffraction, surface area, and density data. It indicates that a high degree of chain disorder and entanglement exists in biological membranes

  6. Determination of structural topology of a membrane protein in lipid bilayers using polarization optimized experiments (POE) for static and MAS solid state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Mote, Kaustubh R. [University of Minnesota, Department of Chemistry (United States); Gopinath, T. [University of Minnesota, Department of Biochemistry, Molecular Biology and Biophysics (United States); Veglia, Gianluigi, E-mail: vegli001@umn.edu [University of Minnesota, Department of Chemistry (United States)

    2013-10-15

    The low sensitivity inherent to both the static and magic angle spinning techniques of solid-state NMR (ssNMR) spectroscopy has thus far limited the routine application of multidimensional experiments to determine the structure of membrane proteins in lipid bilayers. Here, we demonstrate the advantage of using a recently developed class of experiments, polarization optimized experiments, for both static and MAS spectroscopy to achieve higher sensitivity and substantial time-savings for 2D and 3D experiments. We used sarcolipin, a single pass membrane protein, reconstituted in oriented bicelles (for oriented ssNMR) and multilamellar vesicles (for MAS ssNMR) as a benchmark. The restraints derived by these experiments are then combined into a hybrid energy function to allow simultaneous determination of structure and topology. The resulting structural ensemble converged to a helical conformation with a backbone RMSD {approx}0.44 A, a tilt angle of 24 Degree-Sign {+-} 1 Degree-Sign , and an azimuthal angle of 55 Degree-Sign {+-} 6 Degree-Sign . This work represents a crucial first step toward obtaining high-resolution structures of large membrane proteins using combined multidimensional oriented solid-state NMR and magic angle spinning solid-state NMR.

  7. Modeling constrained sintering of bi-layered tubular structures

    DEFF Research Database (Denmark)

    Tadesse Molla, Tesfaye; Kothanda Ramachandran, Dhavanesan; Ni, De Wei

    2015-01-01

    Constrained sintering of tubular bi-layered structures is being used in the development of various technologies. Densification mismatch between the layers making the tubular bi-layer can generate stresses, which may create processing defects. An analytical model is presented to describe the densi...... and thermo-mechanical analysis. Results from the analytical model are found to agree well with finite element simulations as well as measurements from sintering experiment....

  8. Tethered and Polymer Supported Bilayer Lipid Membranes: Structure and Function

    Directory of Open Access Journals (Sweden)

    Jakob Andersson

    2016-05-01

    Full Text Available Solid supported bilayer lipid membranes are model systems to mimic natural cell membranes in order to understand structural and functional properties of such systems. The use of a model system allows for the use of a wide variety of analytical tools including atomic force microscopy, impedance spectroscopy, neutron reflectometry, and surface plasmon resonance spectroscopy. Among the large number of different types of model membranes polymer-supported and tethered lipid bilayers have been shown to be versatile and useful systems. Both systems consist of a lipid bilayer, which is de-coupled from an underlying support by a spacer cushion. Both systems will be reviewed, with an emphasis on the effect that the spacer moiety has on the bilayer properties.

  9. Neutron scattering investigations of the lipid bilayer structure pressure dependence

    Directory of Open Access Journals (Sweden)

    D. V. Soloviov

    2012-03-01

    Full Text Available Lipid bilayer structure investigation results obtained with small angle neutron scattering method at the Joint Institute for Nuclear Research IBR-2M nuclear reactor (Dubna, Russia are presented. Experiment has been per-formed with small angle neutron scattering spectrometer YuMO, upgraded with the apparatus for performing P-V-T measurements on the substance under investigation. D2O-1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC liquid system, presenting the model of natural live membrane, has been taken as the sample for investiga-tions. The lipid bilayer spatial period was measured in experiment along with isothermal compressibility simulta-neously at different pressures. It has been shown, that the bilayer structural transition from ripple (wavelike gel-phase phase to liquid-crystal phase is accompanied with anomalous rise of isothermal compressibility, indicat-ing occurrence of the phase transition.

  10. Neutron scattering investigations of the lipid bilayer structure pressure dependence

    International Nuclear Information System (INIS)

    Solovjov, D.V.; Gordelyij, V.Yi.; Gorshkova, Yu.Je.; Yivan'kov, O.Yi.; Koval'ov, Yu.S.; Kuklyin, A.Yi.; Solovjov, D.V.; Bulavyin, L.A.; Yivan'kov, O.Yi.; Nyikolajenko, T.Yu.; Kuklyin, A.Yi.; Gordelyij, V.Yi.; Gordelyij, V.Yi.

    2012-01-01

    Lipid bilayer structure investigation results obtained with small angle neutron scattering method at the Joint Institute for Nuclear Research IBR-2M nuclear reactor (Dubna, Russia) are presented. Experiment has been performed with small angle neutron scattering spectrometer YuMO, upgraded with the apparatus for performing PV-T measurements on the substance under investigation. D 2 O-1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) liquid system, presenting the model of natural live membrane, has been taken as the sample for investigations. The lipid bilayer spatial period was measured in experiment along with isothermal compressibility simultaneously at different pressures. It has been shown, that the bilayer structural transition from ripple (wavelike gel-phase) phase to liquid-crystal phase is accompanied with anomalous rise of isothermal compressibility, indicating occurrence of the phase transition.

  11. Influence of ester-modified lipids on bilayer structure.

    Science.gov (United States)

    Villanueva, Diana Y; Lim, Joseph B; Klauda, Jeffery B

    2013-11-19

    Lipid membranes function as barriers for cells to prevent unwanted chemicals from entering the cell and wanted chemicals from leaving. Because of their hydrophobic interior, membranes do not allow water to penetrate beyond the headgroup region. We performed molecular simulations to examine the effects of ester-modified lipids, which contain ester groups along their hydrocarbon chains, on bilayer structure. We chose two lipids from those presented in Menger et al. [J. Am. Chem. Soc. 2006, 128, 14034] with ester groups in (1) the upper half of the lipid chain (MEPC) and (2) the middle and end of the lipid chain (MGPC). MGPC (30%)/POPC bilayers formed stable water pores of diameter 5-7 Å, but MGPC (22%)/POPC and MEPC (30%)/POPC bilayers did not form these defects. These pores were similar to those formed during electroporation; i.e., the head groups lined the pore and allowed water and ions to transport across the bilayer. However, we found that lateral organization of the MGPC lipids into clusters, instead of an electric field or charge disparity as in electroporation, was essential for pore formation. On the basis of this, we propose an overall mechanism for pore formation. The similarities between the ester-modified lipids and byproducts of lipid peroxidation with multiple hydrophilic groups in the middle of the chain suggest that free radical reactions with unsaturated lipids and sterols result in fundamental changes that may be similar to what is seen in bilayers with ester-modified lipids.

  12. Solid oxide fuel cells with bi-layered electrolyte structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xinge; Robertson, Mark; Deces-Petit, Cyrille; Xie, Yongsong; Hui, Rob; Qu, Wei; Kesler, Olivera; Maric, Radenka; Ghosh, Dave [Institute for Fuel Cell Innovation, National Research Council Canada, 4250 Wesbrook Mall, Vancouver, B.C. V6T 1W5 (Canada)

    2008-01-10

    In this work, we have developed solid oxide fuel cells with a bi-layered electrolyte of 2 {mu}m SSZ and 4 {mu}m SDC using tape casting, screen printing, and co-firing processes. The cell reached power densities of 0.54 W cm{sup -2} at 650 C and 0.85 W cm{sup -2} at 700 C, with open circuit voltage (OCV) values larger than 1.02 V. The electrical leaking between anode and cathode through an SDC electrolyte has been blocked in the bi-layered electrolyte structure. However, both the electrolyte resistance (R{sub el}) and electrode polarization resistance (R{sub p,a+c}) increased in comparison to cells with single-layered SDC electrolytes. The formation of a solid solution of (Ce, Zr)O{sub 2-x} during sintering process and the flaws in the bi-layered electrolyte structure seem to be the main causes for the increase in the R{sub el} value (0.32 {omega} cm{sup 2}) at 650 C, which is almost one order of magnitude higher than the calculated value. (author)

  13. Structure and organization of nanosized-inclusion-containing bilayer membranes

    Science.gov (United States)

    Ren, Chun-Lai; Ma, Yu-Qiang

    2009-07-01

    Based on a considerable amount of experimental evidence for lateral organization of lipid membranes which share astonishingly similar features in the presence of different inclusions, we use a hybrid self-consistent field theory (SCFT)/density-functional theory (DFT) approach to deal with bilayer membranes embedded by nanosized inclusions and explain experimental findings. Here, the hydrophobic inclusions are simple models of hydrophobic drugs or other nanoparticles for biomedical applications. It is found that lipid/inclusion-rich domains are formed at moderate inclusion concentrations and disappear with the increase in the concentration of inclusions. At high inclusion content, chaining of inclusions occurs due to the effective depletion attraction between inclusions mediated by lipids. Meanwhile, the increase in the concentration of inclusions can also cause thickening of the membrane and the distribution of inclusions undergoes a layering transition from one-layer structure located in the bilayer midplane to two-layer structure arranged into the two leaflets of a bilayer. Our theoretical predictions address the complex interactions between membranes and inclusions suggesting a unifying mechanism which reflects the competition between the conformational entropy of lipids favoring the formation of lipid- and inclusion-rich domains in lipids and the steric repulsion of inclusions leading to the uniform dispersion.

  14. Assessment of pseudo-bilayer structures in the heterogate germanium electron-hole bilayer tunnel field-effect transistor

    International Nuclear Information System (INIS)

    Padilla, J. L.; Alper, C.; Ionescu, A. M.; Medina-Bailón, C.; Gámiz, F.

    2015-01-01

    We investigate the effect of pseudo-bilayer configurations at low operating voltages (≤0.5 V) in the heterogate germanium electron-hole bilayer tunnel field-effect transistor (HG-EHBTFET) compared to the traditional bilayer structures of EHBTFETs arising from semiclassical simulations where the inversion layers for electrons and holes featured very symmetric profiles with similar concentration levels at the ON-state. Pseudo-bilayer layouts are attained by inducing a certain asymmetry between the top and the bottom gates so that even though the hole inversion layer is formed at the bottom of the channel, the top gate voltage remains below the required value to trigger the formation of the inversion layer for electrons. Resulting benefits from this setup are improved electrostatic control on the channel, enhanced gate-to-gate efficiency, and higher I ON levels. Furthermore, pseudo-bilayer configurations alleviate the difficulties derived from confining very high opposite carrier concentrations in very thin structures

  15. Assessment of pseudo-bilayer structures in the heterogate germanium electron-hole bilayer tunnel field-effect transistor

    Energy Technology Data Exchange (ETDEWEB)

    Padilla, J. L., E-mail: jose.padilladelatorre@epfl.ch; Alper, C.; Ionescu, A. M. [Nanoelectronic Devices Laboratory, École Polytechnique Fédérale de Lausanne, Lausanne CH-1015 (Switzerland); Medina-Bailón, C.; Gámiz, F. [Departamento de Electrónica y Tecnología de los Computadores, Universidad de Granada, Avda. Fuentenueva s/n, 18071 Granada (Spain)

    2015-06-29

    We investigate the effect of pseudo-bilayer configurations at low operating voltages (≤0.5 V) in the heterogate germanium electron-hole bilayer tunnel field-effect transistor (HG-EHBTFET) compared to the traditional bilayer structures of EHBTFETs arising from semiclassical simulations where the inversion layers for electrons and holes featured very symmetric profiles with similar concentration levels at the ON-state. Pseudo-bilayer layouts are attained by inducing a certain asymmetry between the top and the bottom gates so that even though the hole inversion layer is formed at the bottom of the channel, the top gate voltage remains below the required value to trigger the formation of the inversion layer for electrons. Resulting benefits from this setup are improved electrostatic control on the channel, enhanced gate-to-gate efficiency, and higher I{sub ON} levels. Furthermore, pseudo-bilayer configurations alleviate the difficulties derived from confining very high opposite carrier concentrations in very thin structures.

  16. A Molecular Dynamics Study of the Structural and Dynamical Properties of Putative Arsenic Substituted Lipid Bilayers

    Directory of Open Access Journals (Sweden)

    Ratna Juwita

    2013-04-01

    Full Text Available Cell membranes are composed mainly of phospholipids which are in turn, composed of five major chemical elements: carbon, hydrogen, nitrogen, oxygen, and phosphorus. Recent studies have suggested the possibility of sustaining life if the phosphorus is substituted by arsenic. Although this issue is still controversial, it is of interest to investigate the properties of arsenated-lipid bilayers to evaluate this possibility. In this study, we simulated arsenated-lipid, 1-palmitoyl-2-oleoyl-sn-glycero-3-arsenocholine (POAC, lipid bilayers using all-atom molecular dynamics to understand basic structural and dynamical properties, in particular, the differences from analogous 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, (POPC lipid bilayers. Our simulations showed that POAC lipid bilayers have distinct structural and dynamical properties from those of native POPC lipid bilayers. Relative to POPC lipid bilayers, POAC lipid bilayers have a more compact structure with smaller lateral areas and greater order. The compact structure of POAC lipid bilayers is due to the fact that more inter-lipid salt bridges are formed with arsenate-choline compared to the phosphate-choline of POPC lipid bilayers. These inter-lipid salt bridges bind POAC lipids together and also slow down the head group rotation and lateral diffusion of POAC lipids. Thus, it would be anticipated that POAC and POPC lipid bilayers would have different biological implications.

  17. Mixed-chain phosphatidylcholine bilayers: structure and properties

    International Nuclear Information System (INIS)

    Mattai, J.; Sripada, P.K.; Shipley, G.G.

    1987-01-01

    Calorimetric and x-ray diffraction data are reported for two series of saturated mixed-chain phosphatidylcholines (PCs), 18:0/n:0-PC and n:0/18:0-PC, where the sn-1 and sn-2 fatty acyl chains on the glycerol backbone are systematically varied by two methylene groups from 18:0 to 10:0 (n = 18, 16, 14, 12, or 10). Fully hydrated PCs were annealed at -4 0 C and their multilamellar dispersions characterized by differential scanning calorimetry and x-ray diffraction. All mixed-chain PCs form low-temperature crystalline bilayer phases following low-temperature incubation, except 18:0/10:0-PC. The subtransition temperature (T/sub s/) shifts toward the main (chain melting) transition temperature (T/sub m/) as the sn-1 or sn-2 fatty acyl chain is reduced in length. T/sub m/ decreases with acyl chain length for both series of PCs except 18:0/10:0-PC, while for the positional isomers, n:0/18:0-PC and 18:0/n:0-PC, T/sub m/ is higher for the isomer with the longer acyl chain in the sn-2 position of the glycerol backbone. The conversion from the crystalline bilayer L/sub c/phase to the liquid-crystalline L/sub α/ phase with melted hydrocarbon chains occurs through a series of phase changes which are chain length dependent. Molecular models indicate that the bilayer gel phases for the more asymmetric PC series, 18:0/n:0-PC, must undergo progressive interdigitation with chain length reduction to maintain maximum chain-chain interaction. The L/sub β/* phase of 18:0/10:p-PC is the most stable structure for this PC below T/sub m/. The formation and stability of the triple-chain structures can be rationalized from molecular models

  18. Irregular bilayer structure in vesicles prepared from Halobacterium cutirubrum lipids

    Science.gov (United States)

    Lanyi, J. K.

    1974-01-01

    Fluorescent probes were used to study the structure of the cell envelope of Halobacterium cutirubrum, and, in particular, to explore the effect of the heterogeneity of the lipids in this organism on the structure of the bilayers. The fluorescence polarization of perylene was followed in vesicles of unfractionated lipids and polar lipids as a function of temperature in 3.4 M solutions of NaCl, NaNO3, and KSCN, and it was found that vesicles of unfractionated lipids were more perturbed by chaotropic agents than polar lipids. The dependence of the relaxation times of perylene on temperature was studied in cell envelopes and in vesicles prepared from polar lipids, unfractionated lipids, and mixtures of polar and neutral lipids.

  19. CONDENSED MATTER: STRUCTURE, THERMAL AND MECHANICAL PROPERTIES: Pair interaction of bilayer-coated nanoscopic particles

    Science.gov (United States)

    Zhang, Qi-Yi

    2009-02-01

    The pair interaction between bilayer membrane-coated nanosized particles has been explored by using the self-consistent field (SCF) theory. The bilayer membranes are composed of amphiphilic polymers. For different system parameters, the pair-interaction free energies are obtained. Particular emphasis is placed on the analysis of a sequence of structural transformations of bilayers on spherical particles, which occur during their approaching processes. For different head fractions of amphiphiles, the asymmetrical morphologies between bilayers on two particles and the inverted micellar intermediates have been found in the membrane fusion pathway. These results can benefit the fabrication of vesicles as encapsulation vectors for drug and gene delivery.

  20. Cationic Dimyristoylphosphatidylcholine and Dioleoyloxytrimethylammonium Propane Lipid Bilayers: Atomistic Insight for Structure and Dynamics

    DEFF Research Database (Denmark)

    Zhao, W.; Gurtovenko, A. A.; Vattulainen, I.

    2012-01-01

    We performed atomistic molecular dynamics simulations of lipid bilayers consisting of a mixture of cationic dioleoyloxytrimethylammonium propane (DOTAP) and zwitterionic dimyristoylphosphatidylcholine (DMPC) lipids at different DOTAP fractions. Our primary focus was the specific effects...... of unsaturated lipid chains on structural and dynamic properties of mixed cationic bilayers. The bilayer area, as well as the ordering of lipid tails, shows a pronounced nonmonotonic behavior when TAP lipid fraction increases. The minimum in area (maximum in ordering) was observed for a bilayer with TAP fraction...... lipids, which were found to form PC-PC and PC-TAP pairs, and the formation of lipid clusters....

  1. Determinants of sodium and calcium adsorption onto neutral lipid bilayers

    Czech Academy of Sciences Publication Activity Database

    Javanainen, M.; Melcrová, Adéla; Magarkar, Aniket; Jurkiewicz, Piotr; Hof, Martin; Jungwirth, Pavel; Martinez-Seara, Hector

    2017-01-01

    Roč. 46, Suppl 1 (2017), S121 ISSN 0175-7571. [IUPAB congress /19./ and EBSA congress /11./. 16.07.2017-20.07.2017, Edinburgh] Institutional support: RVO:61388963 ; RVO:61388955 Keywords : sodium * calcium * lipid bilayer Subject RIV: BO - Biophysics

  2. A high extinction ratio THz polarizer fabricated by double-bilayer wire grid structure

    Science.gov (United States)

    Lu, Bin; Wang, Haitao; Shen, Jun; Yang, Jun; Mao, Hongyan; Xia, Liangping; Zhang, Weiguo; Wang, Guodong; Peng, Xiao-Yu; Wang, Deqiang

    2016-02-01

    We designed a new style of broadband terahertz (THz) polarizer with double-bilayer wire grid structure by fabricating them on both sides of silicon substrate. This THz polarizer shows a high average extinction ratio of 60dB in 0.5 to 2.0 THz frequency range and the maximum of 87 dB at 1.06 THz, which is much higher than that of conventional monolayer wire grid polarizers and single-bilayer wire grid ones.

  3. Non-bilayer structures in mitochondrial membranes regulate ATP synthase activity.

    Science.gov (United States)

    Gasanov, Sardar E; Kim, Aleksandr A; Yaguzhinsky, Lev S; Dagda, Ruben K

    2018-02-01

    Cardiolipin (CL) is an anionic phospholipid at the inner mitochondrial membrane (IMM) that facilitates the formation of transient non-bilayer (non-lamellar) structures to maintain mitochondrial integrity. CL modulates mitochondrial functions including ATP synthesis. However, the biophysical mechanisms by which CL generates non-lamellar structures and the extent to which these structures contribute to ATP synthesis remain unknown. We hypothesized that CL and ATP synthase facilitate the formation of non-bilayer structures at the IMM to stimulate ATP synthesis. By using 1 H NMR and 31 P NMR techniques, we observed that increasing the temperature (8°C to 37°C), lowering the pH (3.0), or incubating intact mitochondria with CTII - an IMM-targeted toxin that increases the formation of immobilized non-bilayer structures - elevated the formation of non-bilayer structures to stimulate ATP synthesis. The F 0 sector of the ATP synthase complex can facilitate the formation of non-bilayer structures as incubating model membranes enriched with IMM-specific phospholipids with exogenous DCCD-binding protein of the F 0 sector (DCCD-BPF) elevated the formation of immobilized non-bilayer structures to a similar manner as CTII. Native PAGE assays revealed that CL, but not other anionic phospholipids, specifically binds to DCCD-BPF to promote the formation of stable lipid-protein complexes. Mechanistically, molecular docking studies identified two lipid binding sites for CL in DCCD-BPF. We propose a new model of ATP synthase regulation in which CL mediates the formation of non-bilayer structures that serve to cluster protons and ATP synthase complexes as a mechanism to enhance proton translocation to the F 0 sector, and thereby increase ATP synthesis. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes

    International Nuclear Information System (INIS)

    Rønnest, A. K.; Peters, G. H.; Hansen, F. Y.; Taub, H.; Miskowiec, A.

    2016-01-01

    Molecular dynamics simulations have been used to investigate the influence of the valency of counter-ions on the structure of freestanding bilayer membranes of the anionic 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG) lipid at 310 K and 1 atm. At this temperature, the membrane is in the fluid phase with a monovalent counter-ion and in the gel phase with a divalent counter-ion. The diffusion constant of water as a function of its depth in the membrane has been determined from mean-square-displacement calculations. Also, calculated incoherent quasielastic neutron scattering functions have been compared to experimental results and used to determine an average diffusion constant for all water molecules in the system. On extrapolating the diffusion constants inferred experimentally to a temperature of 310 K, reasonable agreement with the simulations is obtained. However, the experiments do not have the sensitivity to confirm the diffusion of a small component of water bound to the lipids as found in the simulations. In addition, the orientation of the dipole moment of the water molecules has been determined as a function of their depth in the membrane. Previous indirect estimates of the electrostatic potential within phospholipid membranes imply an enormous electric field of 10 8 –10 9 V m −1 , which is likely to have great significance in controlling the conformation of translocating membrane proteins and in the transfer of ions and molecules across the membrane. We have calculated the membrane potential for DMPG bilayers and found ∼1 V (∼2 ⋅ 10 8 V m −1 ) when in the fluid phase with a monovalent counter-ion and ∼1.4 V (∼2.8 ⋅ 10 8 V m −1 ) when in the gel phase with a divalent counter-ion. The number of water molecules for a fully hydrated DMPG membrane has been estimated to be 9.7 molecules per lipid in the gel phase and 17.5 molecules in the fluid phase, considerably smaller than inferred experimentally for 1,2-dimyristoyl-sn-glycero-3

  5. Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes

    Energy Technology Data Exchange (ETDEWEB)

    Rønnest, A. K.; Peters, G. H.; Hansen, F. Y., E-mail: flemming@kemi.dtu.dk [Department of Chemistry, Technical University of Denmark, IK 207 DTU, DK-2800 Lyngby (Denmark); Taub, H.; Miskowiec, A. [Department of Physics and Astronomy and the University of Missouri Research Reactor,University of Missouri, Columbia, Missouri 65211 (United States)

    2016-04-14

    Molecular dynamics simulations have been used to investigate the influence of the valency of counter-ions on the structure of freestanding bilayer membranes of the anionic 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG) lipid at 310 K and 1 atm. At this temperature, the membrane is in the fluid phase with a monovalent counter-ion and in the gel phase with a divalent counter-ion. The diffusion constant of water as a function of its depth in the membrane has been determined from mean-square-displacement calculations. Also, calculated incoherent quasielastic neutron scattering functions have been compared to experimental results and used to determine an average diffusion constant for all water molecules in the system. On extrapolating the diffusion constants inferred experimentally to a temperature of 310 K, reasonable agreement with the simulations is obtained. However, the experiments do not have the sensitivity to confirm the diffusion of a small component of water bound to the lipids as found in the simulations. In addition, the orientation of the dipole moment of the water molecules has been determined as a function of their depth in the membrane. Previous indirect estimates of the electrostatic potential within phospholipid membranes imply an enormous electric field of 10{sup 8}–10{sup 9} V m{sup −1}, which is likely to have great significance in controlling the conformation of translocating membrane proteins and in the transfer of ions and molecules across the membrane. We have calculated the membrane potential for DMPG bilayers and found ∼1 V (∼2 ⋅ 10{sup 8} V m{sup −1}) when in the fluid phase with a monovalent counter-ion and ∼1.4 V (∼2.8 ⋅ 10{sup 8} V m{sup −1}) when in the gel phase with a divalent counter-ion. The number of water molecules for a fully hydrated DMPG membrane has been estimated to be 9.7 molecules per lipid in the gel phase and 17.5 molecules in the fluid phase, considerably smaller than inferred experimentally for 1

  6. Fabrication and Optimization of Bilayered Nanoporous Anodic Alumina Structures as Multi-Point Interferometric Sensing Platform

    Science.gov (United States)

    Nemati, Mahdieh; Santos, Abel

    2018-01-01

    quercetin. The multi-point sensing performance of BL-NAAs was determined for each pore layer, with an average sensitivity and low limit of detection of 600 nm (mg mL−1)−1 and 0.14 mg mL−1, respectively. BL-NAAs photonic structures have the capability to be used as platforms for multi-point RIfS sensing of biomolecules that can be further extended for simultaneous size-exclusion separation and multi-analyte sensing using these bilayered nanostructures. PMID:29415436

  7. Fabrication and Optimization of Bilayered Nanoporous Anodic Alumina Structures as Multi-Point Interferometric Sensing Platform

    Directory of Open Access Journals (Sweden)

    Mahdieh Nemati

    2018-02-01

    concentrations of quercetin. The multi-point sensing performance of BL-NAAs was determined for each pore layer, with an average sensitivity and low limit of detection of 600 nm (mg mL−1−1 and 0.14 mg mL−1, respectively. BL-NAAs photonic structures have the capability to be used as platforms for multi-point RIfS sensing of biomolecules that can be further extended for simultaneous size-exclusion separation and multi-analyte sensing using these bilayered nanostructures.

  8. Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling

    Energy Technology Data Exchange (ETDEWEB)

    Pera, H.; Kleijn, J. M.; Leermakers, F. A. M., E-mail: Frans.leermakers@wur.nl [Laboratory of Physical Chemistry and Colloid Science, Wageningen University, Dreijenplein 6, 6307 HB Wageningen (Netherlands)

    2014-02-14

    To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k{sub c} and k{sup ¯} and the preferred monolayer curvature J{sub 0}{sup m}, and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k{sub c} and the area compression modulus k{sub A} are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k{sup ¯} and J{sub 0}{sup m} can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k{sup ¯} and J{sub 0}{sup m} change sign with relevant parameter changes. Although typically k{sup ¯}<0, membranes can form stable cubic phases when the Gaussian bending modulus becomes positive, which occurs with membranes composed of PC lipids with long tails. Similarly, negative monolayer curvatures appear when a small head group such as PE is combined with long lipid tails, which hints towards the stability of inverse hexagonal phases at the cost of the bilayer topology. To prevent the destabilisation of bilayers, PG lipids can be mixed into these PC or PE lipid membranes. Progressive loading of bilayers with PG lipids lead to highly charged membranes, resulting in J{sub 0}{sup m}≫0, especially at low ionic

  9. Landau levels in biased graphene structures with monolayer-bilayer interfaces

    Science.gov (United States)

    Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Ketabi, S. A.; Peeters, F. M.

    2017-09-01

    The electron energy spectrum in monolayer-bilayer-monolayer and in bilayer-monolayer-bilayer graphene structures is investigated and the effects of a perpendicular magnetic field and electric bias are studied. Different types of monolayer-bilayer interfaces are considered as zigzag (ZZ) or armchair (AC) junctions which modify considerably the bulk Landau levels (LLs) when the spectra are plotted as a function of the center coordinate of the cyclotron orbit. Far away from the two interfaces, one obtains the well-known LLs for extended monolayer or bilayer graphene. The LL structure changes significantly at the two interfaces or junctions where the valley degeneracy is lifted for both types of junctions, especially when the distance between them is approximately equal to the magnetic length. Varying the nonuniform bias and the width of this junction-to-junction region in either structure strongly influence the resulting spectra. Significant differences exist between ZZ and AC junctions in both structures. The densities of states (DOSs) for unbiased structures are symmetric in energy whereas those for biased structures are asymmetric. An external bias creates interface LLs in the gaps between the LLs of the unbiased system in which the DOS can be quite small. Such a pattern of LLs can be probed by scanning tunneling microscopy.

  10. Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes

    DEFF Research Database (Denmark)

    Rønnest, A. K.; Peters, Günther H.J.; Hansen, Flemming Yssing

    2016-01-01

    Molecular dynamics simulations have been used to investigate the influence of the valency of counter-ions on the structure of freestanding bilayer membranes of the anionic 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG) lipid at 310 K and 1 atm. At this temperature, the membrane is in the fluid...... compared to experimental results and used to determine an average diffusion constant for all water molecules in the system. On extrapolating the diffusion constants inferred experimentally to a temperature of 310 K, reasonable agreement with the simulations is obtained. However, the experiments do not have...... the sensitivity to confirm the diffusion of a small component of water bound to the lipids as found in the simulations. In addition, the orientation of the dipole moment of the water molecules has been determined as a function of their depth in the membrane. Previous indirect estimates of the electrostatic...

  11. A simple analytical thermo-mechanical model for liquid crystal elastomer bilayer structures

    Directory of Open Access Journals (Sweden)

    Yun Cui

    2018-02-01

    Full Text Available The bilayer structure consisting of thermal-responsive liquid crystal elastomers (LCEs and other polymer materials with stretchable heaters has attracted much attention in applications of soft actuators and soft robots due to its ability to generate large deformations when subjected to heat stimuli. A simple analytical thermo-mechanical model, accounting for the non-uniform feature of the temperature/strain distribution along the thickness direction, is established for this type of bilayer structure. The analytical predictions of the temperature and bending curvature radius agree well with finite element analysis and experiments. The influences of the LCE thickness and the heat generation power on the bending deformation of the bilayer structure are fully investigated. It is shown that a thinner LCE layer and a higher heat generation power could yield more bending deformation. These results may help the design of soft actuators and soft robots involving thermal responsive LCEs.

  12. Temperature-controlled structure and kinetics of ripple phases in one- and two-component supported lipid bilayers

    DEFF Research Database (Denmark)

    Kaasgaard, Thomas; Leidy, Chad; Crowe, J.H.

    2003-01-01

    Temperature-controlled atomic force microscopy (AFM) has been used to visualize and study the structure and kinetics of ripple phases in one-component dipalmitoylphosphaticlylcholine (DPPC) and two-component dimyristoylphosphatidylcholine-distearoylphosphatidylcholine (DMPC-DSPC) lipid bilayers....... The lipid bilayers are mica-supported double bilayers in which ripple-phase formation occurs in the top bilayer. In one-component DPPC lipid bilayers, the stable and metastable ripple phases were observed. In addition, a third ripple structure with approximately twice the wavelength of the metastable...... ripples was seen. From height profiles of the AFM images, estimates of the amplitudes of the different ripple phases are reported. To elucidate the processes of ripple formation and disappearance, a ripple-phase DPPC lipid bilayer was taken through the pretransition in the cooling and the heating...

  13. Structure and dynamics of POPC bilayers in water solutions of room temperature ionic liquids

    International Nuclear Information System (INIS)

    Benedetto, Antonio; Bingham, Richard J.; Ballone, Pietro

    2015-01-01

    Molecular dynamics simulations in the NPT ensemble have been carried out to investigate the effect of two room temperature ionic liquids (RTILs), on stacks of phospholipid bilayers in water. We consider RTIL compounds consisting of chloride ([bmim][Cl]) and hexafluorophosphate ([bmim][PF 6 ]) salts of the 1-buthyl-3-methylimidazolium ([bmim] + ) cation, while the phospholipid bilayer is made of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC). Our investigations focus on structural and dynamical properties of phospholipid and water molecules that could be probed by inelastic and quasi-elastic neutron scattering measurements. The results confirm the fast incorporation of [bmim] + into the lipid phase already observed in previous simulations, driven by the Coulomb attraction of the cation for the most electronegative oxygens in the POPC head group and by sizeable dispersion forces binding the neutral hydrocarbon tails of [bmim] + and of POPC. The [bmim] + absorption into the bilayer favours the penetration of water into POPC, causes a slight but systematic thinning of the bilayer, and further stabilises hydrogen bonds at the lipid/water interface that already in pure samples (no RTIL) display a lifetime much longer than in bulk water. On the other hand, the effect of RTILs on the diffusion constant of POPC (D POPC ) does not reveal a clearly identifiable trend, since D POPC increases upon addition of [bmim][Cl] and decreases in the [bmim][PF 6 ] case. Moreover, because of screening, the electrostatic signature of each bilayer is only moderately affected by the addition of RTIL ions in solution. The analysis of long wavelength fluctuations of the bilayers shows that RTIL sorption causes a general decrease of the lipid/water interfacial tension and bending rigidity, pointing to the destabilizing effect of RTILs on lipid bilayers

  14. Structure and dynamics of POPC bilayers in water solutions of room temperature ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Benedetto, Antonio [School of Physics, University College Dublin, Dublin 4 (Ireland); Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, 5232 Villigen (Switzerland); Bingham, Richard J. [York Centre for Complex Systems Analysis, University of York, York YO10 5GE (United Kingdom); Ballone, Pietro [Center for Life Nano Science @Sapienza, Istituto Italiano di Tecnologia (IIT), 00185 Roma (Italy); Department of Physics, Università di Roma “La Sapienza,” 00185 Roma (Italy)

    2015-03-28

    Molecular dynamics simulations in the NPT ensemble have been carried out to investigate the effect of two room temperature ionic liquids (RTILs), on stacks of phospholipid bilayers in water. We consider RTIL compounds consisting of chloride ([bmim][Cl]) and hexafluorophosphate ([bmim][PF{sub 6}]) salts of the 1-buthyl-3-methylimidazolium ([bmim]{sup +}) cation, while the phospholipid bilayer is made of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC). Our investigations focus on structural and dynamical properties of phospholipid and water molecules that could be probed by inelastic and quasi-elastic neutron scattering measurements. The results confirm the fast incorporation of [bmim]{sup +} into the lipid phase already observed in previous simulations, driven by the Coulomb attraction of the cation for the most electronegative oxygens in the POPC head group and by sizeable dispersion forces binding the neutral hydrocarbon tails of [bmim]{sup +} and of POPC. The [bmim]{sup +} absorption into the bilayer favours the penetration of water into POPC, causes a slight but systematic thinning of the bilayer, and further stabilises hydrogen bonds at the lipid/water interface that already in pure samples (no RTIL) display a lifetime much longer than in bulk water. On the other hand, the effect of RTILs on the diffusion constant of POPC (D{sub POPC}) does not reveal a clearly identifiable trend, since D{sub POPC} increases upon addition of [bmim][Cl] and decreases in the [bmim][PF{sub 6}] case. Moreover, because of screening, the electrostatic signature of each bilayer is only moderately affected by the addition of RTIL ions in solution. The analysis of long wavelength fluctuations of the bilayers shows that RTIL sorption causes a general decrease of the lipid/water interfacial tension and bending rigidity, pointing to the destabilizing effect of RTILs on lipid bilayers.

  15. A high extinction ratio THz polarizer fabricated by double-bilayer wire grid structure

    Directory of Open Access Journals (Sweden)

    Bin Lu

    2016-02-01

    Full Text Available We designed a new style of broadband terahertz (THz polarizer with double-bilayer wire grid structure by fabricating them on both sides of silicon substrate. This THz polarizer shows a high average extinction ratio of 60dB in 0.5 to 2.0 THz frequency range and the maximum of 87 dB at 1.06 THz, which is much higher than that of conventional monolayer wire grid polarizers and single-bilayer wire grid ones.

  16. Invited Article: Narrowband terahertz bandpass filters employing stacked bilayer metasurface antireflection structures

    Science.gov (United States)

    Chang, Chun-Chieh; Huang, Li; Nogan, John; Chen, Hou-Tong

    2018-05-01

    We experimentally demonstrate high-performance narrowband terahertz (THz) bandpass filters through cascading multiple bilayer metasurface antireflection structures. Each bilayer metasurface, consisting of a square array of silicon pillars with a self-aligned top gold resonator-array and a complementary bottom gold slot-array, enables near-zero reflection and simultaneously close-to-unity single-band transmission at designed operational frequencies in the THz spectral region. The THz bandpass filters based on stacked bilayer metasurfaces allow a fairly narrow, high-transmission passband, and a fast roll-off to an extremely clean background outside the passband, thereby providing superior bandpass performance. The demonstrated scheme of narrowband THz bandpass filtering is of great importance for a variety of applications where spectrally clean, high THz transmission over a narrow bandwidth is desired, such as THz spectroscopy and imaging, molecular detection and monitoring, security screening, and THz wireless communications.

  17. Structural and electronic transformation in low-angle twisted bilayer graphene

    Science.gov (United States)

    Gargiulo, Fernando; Yazyev, Oleg V.

    2018-01-01

    Experiments on bilayer graphene unveiled a fascinating realization of stacking disorder where triangular domains with well-defined Bernal stacking are delimited by a hexagonal network of strain solitons. Here we show by means of numerical simulations that this is a consequence of a structural transformation of the moiré pattern inherent to twisted bilayer graphene taking place at twist angles θ below a crossover angle θ\\star=1.2\\circ . The transformation is governed by the interplay between the interlayer van der Waals interaction and the in-plane strain field, and is revealed by a change in the functional form of the twist energy density. This transformation unveils an electronic regime characteristic of vanishing twist angles in which the charge density converges, though not uniformly, to that of ideal bilayer graphene with Bernal stacking. On the other hand, the stacking domain boundaries form a distinct charge density pattern that provides the STM signature of the hexagonal solitonic network.

  18. Dependency of {gamma}-secretase complex activity on the structural integrity of the bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Hua, E-mail: hzhou2@lbl.gov [Life Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States); Zhou, Shuxia; Walian, Peter J.; Jap, Bing K. [Life Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720 (United States)

    2010-11-12

    Research highlights: {yields} Partial solubilization of membranes with CHAPSO can increase {gamma}-secretase activity. {yields} Completely solubilized {gamma}-secretase is inactive. {yields} Purified {gamma}-secretase regains activity after reconstitution into lipid bilayers. {yields} A broad range of detergents can be used to successfully reconstitute {gamma}-secretase. -- Abstract: {gamma}-secretase is a membrane protein complex associated with the production of A{beta} peptides that are pathogenic in Alzheimer's disease. We have characterized the activity of {gamma}-secretase complexes under a variety of detergent solubilization and reconstitution conditions, and the structural state of proteoliposomes by electron microscopy. We found that {gamma}-secretase activity is highly dependent on the physical state or integrity of the membrane bilayer - partial solubilization may increase activity while complete solubilization will abolish it. The activity of well-solubilized {gamma}-secretase can be restored to near native levels when properly reconstituted into a lipid bilayer environment.

  19. Improved Modeling Approaches for Constrained Sintering of Bi-Layered Porous Structures

    DEFF Research Database (Denmark)

    Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Esposito, Vincenzo

    2012-01-01

    Shape instabilities during constrained sintering experiment of bi-layer porous and dense cerium gadolinium oxide (CGO) structures have been analyzed. An analytical and a numerical model based on the continuum theory of sintering has been implemented to describe the evolution of bow and densificat...

  20. Statistical thermodynamics of association colloids : the equilibrium structure of micelles, vesicles, and bilayer membranes

    NARCIS (Netherlands)

    Leermakers, F.A.M.

    1988-01-01

    The aim of the present study was to unravel the general equilibrium physical properties of lipid bilayer membranes. We consider four major questions:
    1. What determines the morphology of the association colloids (micelles, membranes, vesicles) in general?
    2. Do the

  1. Sintering of bi-layered porous structures: Stress development and shape evolution

    DEFF Research Database (Denmark)

    Ni, De Wei; Esposito, Vincenzo; Ramousse, Severine

    viscosity of layers was determined as a function of temperature and density using a vertical sintering approach. The distortion in the bi-layer configurations was experimentally recorded and compared with the analytical calculations. The sintering mismatch stress was calculated from both the camber...... development and linear strain rate mismatch, which showed a good agreement....

  2. Structural characterization of Fe/Ag bilayers by RBS and AFM

    International Nuclear Information System (INIS)

    Tunyogi, A.; Tancziko, F.; Osvath, Z.; Paszti, F.

    2008-01-01

    Fe/Ag thin films are intensively investigated due to their special magnetic properties. Recently a deposition-order dependent asymmetric interface has been found. When iron is grown on silver, the interface is sharp, while the growth of Ag on Fe results in a long, low-energy tail of the Ag peak in the Rutherford backscattering spectrometry (RBS) spectra. The main purpose of this paper is to show that the low-energy Ag tail is caused by grain boundary diffusion, and that, when elevating the growing temperature of the Ag layer this effect becomes more significant. Two sets of polycrystalline and epitaxial Fe/Ag bilayers were prepared simultaneously onto Si(1 1 1) and MgO(1 0 0), respectively. The iron layers were grown at 250 deg. C and annealed at 450 deg. C in both sets, while the Ag layer was grown in the first set at room temperature (RT) and in the second set at 250 deg. C (HT). The sample composition, the interface sharpness and the quality of the epitaxy were studied by Rutherford backscattering spectrometry (RBS) combined with channeling effect. The surface morphology was determined by atomic force microscopy (AFM). RBS spectra show that in the case of RT samples the epitaxial MgO/Fe/Ag bilayer has sharp, well-defined interface, while for the polycrystalline Si/Fe/Ag sample the silver peak has a low-energy tail. Both the Fe and Ag peaks smeared out in the case of HT samples. AFM-images show that the RT samples have a continuous Ag layer, while the HT samples have fragmented surfaces. The RBS spectra taken on the HT samples were successfully simulated by the RBS-MAST code taking into account their fragmented structures.

  3. Phase Transition of MoS2 Bilayer Structures

    DEFF Research Database (Denmark)

    Pandey, Mohnish; Bothra, Pallavi; Pati, Swapan K.

    2016-01-01

    to a heterostructure of the 2H and 1T structures instead of a complete conversion to the 1T bilayer structure. Therefore, we propose that the desired synthesis of the 1T-MoS2 from the bulk 2H-MoS2 takes place through the hybrid 2H-1T structure. Our finding gives physical insight into the experimentally described...

  4. Structural and electro-optical properties of bilayer graphyne like BN sheet

    Science.gov (United States)

    Behzad, Somayeh

    2016-12-01

    The structural, electronic and optical properties of bilayer graphyne like BN sheet (BNyne) with different stacking manners have been explored by the first-principles calculations. The stabilities of α-BNyne bilayers with different stacking manners are compared. The α-BNyne Bilayers have wide band gaps. Compared to the single α-BNyne, the numbers of energy bands are doubled due to the interlayer interactions and the band gap is reduced. The AB-I configuration has a direct band gap while the band gap becomes indirect for AA-II. The calculated ε2 (ω) of bilayer α-BNyne for (Eǁx) is similar to that of the monolayer α-BNyne, except for the small changes of peak positions and increasing of peak intensities. For (Eǁz), the first absorption peak occures at 3.86 eV, and the prominant peak of monolayer at 9.17 eV becomes broadened. These changes are related to the new transitions resulting from the band splitting.

  5. Effect of shear stress on electromagnetic behaviors in superconductor-ferromagnetic bilayer structure

    Science.gov (United States)

    Yong, Huadong; Zhao, Meng; Jing, Ze; Zhou, Youhe

    2014-09-01

    In this paper, the electromagnetic response and shielding behaviour of superconductor-ferromagnetic bilayer structure are studied. The magnetomechanical coupling in ferromagnetic materials is also considered. Based on the linear piezomagnetic coupling model and anti-plane shear deformation, the current density and magnetic field in superconducting strip are obtained firstly. The effect of shear stress on the magnetization of strip is discussed. Then, we consider the magnetic cloak for superconductor-ferromagnetic bilayer structure. The magnetic permeability of ferromagnetic material is obtained for perfect cloaking in uniform magnetic field with magnetomechanical coupling in ferromagnet. The simulation results show that the electromagnetic response in superconductors will change by applying the stress only to the ferromagnetic material. In addition, the performance of invisibility of structure for non-uniform field will be affected by mechanical stress. It may provide a method to achieve tunability of superconducting properties with mechanical loadings.

  6. Composition, structure and properties of POPC–triolein mixtures. Evidence of triglyceride domains in phospholipid bilayers

    DEFF Research Database (Denmark)

    Duelund, Lars; Jensen, Grethe Vestergaard; Hannibal-Bach, Hans Kristian

    2013-01-01

    We have in this study investigated the composition, structure and spectroscopical properties of multilamellar vesicles composed of a phospholipid, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), and up to 10mol% of triolein (TO), a triglyceride. We found in agreement with previous results...... as vesicular structures containing entrapped water. Bilayer structure of the membranes was supported by small angle X-ray scattering that showed the membranes to form a lamellar phase. Fluorescence spectroscopy with the polarity sensitive dye Nile red revealed, that the LF samples with more than 5mol......% TO contained pure TO domains. These observations are consistent with an earlier MD simulation study by us and our co-workers suggesting triglycerides to be located in lens shaped, blister-like domains between the two lipid bilayer leaflets (Khandelia et al. (2010) [26])....

  7. Ab-initio calculation of electronic structure and optical properties of AB-stacked bilayer α-graphyne

    Science.gov (United States)

    Behzad, Somayeh

    2016-09-01

    Monolayer α-graphyne is a new two-dimensional carbon allotrope with many special features. In this work the electronic properties of AA- and AB-stacked bilayers of this material and then the optical properties are studied, using first principle plane wave method. The electronic spectrum has two Dirac cones for AA stacked bilayer α-graphyne. For AB-stacked bilayer, the interlayer interaction changes the linear bands into parabolic bands. The optical spectra of the most stable AB-stacked bilayer closely resemble to that of the monolayer, except for small shifts of peak positions and increasing of their intensity. For AB-stacked bilayer, a pronounced peak has been found at low energies under the perpendicular polarization. This peak can be clearly ascribed to the transitions at the Dirac point as a result of the small degeneracy lift in the band structure.

  8. Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling

    International Nuclear Information System (INIS)

    Pera, H.; Kleijn, J. M.; Leermakers, F. A. M.

    2014-01-01

    To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k c and k ¯ and the preferred monolayer curvature J 0 m , and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k c and the area compression modulus k A are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k ¯ and J 0 m can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k ¯ and J 0 m change sign with relevant parameter changes. Although typically k ¯ 0 m ≫0, especially at low ionic strengths. We anticipate that these changes lead to unstable membranes as these become vulnerable to pore formation or disintegration into lipid disks

  9. Superhard behaviour, low residual stress, and unique structure in diamond-like carbon films by simple bilayer approach

    International Nuclear Information System (INIS)

    Dwivedi, Neeraj; Kumar, Sushil; Malik, Hitendra K.

    2012-01-01

    Simple bilayer approach is proposed for synthesizing hard and superhard diamond-like carbon (DLC) coatings with reduced residual stress. For this, M/DLC bilayer (M = Ti and Cu) structures are grown using hybrid system involving radio frequency (RF)-sputtering and RF-plasma enhanced chemical vapor deposition techniques. Ti/DLC bilayer deposited at negative self bias of 100 V shows superhard behaviour with hardness (H) as 49 GPa. Cu/DLC bilayer grown at self bias of 100 V exhibits hard behaviour with H as 22.8 GPa. The hardness of Ti/DLC (Cu/DLC) bilayer gets changed from superhard (hard) to hard (moderate hard) regime, when the self bias is raised to 300 V. Residual stress in Ti/DLC (Cu/DLC) bilayer is found to be significantly low that varies in the range of 1 GPa-1.65 GPa (0.8 GPa-1.6 GPa). The microstructure and morphology are studied by Raman spectroscopy, scanning electron microscopy (SEM), and atomic force microscopy (AFM). SEM and AFM pictures reveal the creation of nanostructured features in the deposited bilayers. Raman, SEM, and AFM analyses are correlated with the nano-mechanical properties. Owing to excellent nano-mechanical properties, these bilayers can find their direct industrial applications as hard and protective coatings.

  10. The influence of hyaluronan on the structure of a DPPC-bilayer under high pressures.

    Science.gov (United States)

    Zander, Thomas; Wieland, D C Florian; Raj, Akanksha; Wang, Min; Nowak, Benedikt; Krywka, Christina; Dėdinaitė, Andra; Claesson, Per Martin; Garamus, Vasil M; Schreyer, Andreas; Willumeit-Römer, Regine

    2016-06-01

    The superior lubrication properties of synovial joints have inspired many studies aiming at uncovering the molecular mechanisms which give rise to low friction and wear. However, the mechanisms are not fully understood yet, and, in particular, it has not been elucidated how the biolubricants present at the interface of cartilage respond to high pressures, which arise during high loads of joints. In this study we utilize a simple model system composed of two biomolecules that have been implied as being important for joint lubrication. It consists of a solid supported dipalmitoylphosphatidylcholin (DPPC) bilayer, which was formed via vesicles fusion on a flat Si wafer, and the anionic polysaccharide hyaluronan (HA). We first characterized the structure of the HA layer that adsorbed to the DPPC bilayers at ambient pressure and different temperatures using X-ray reflectivity (XRR) measurements. Next, XRR was utilized to evaluate the response of the system to high hydrostatic pressures, up to 2kbar (200MPa), at three different temperatures. By means of fluorescence microscopy images the distribution of DPPC and HA on the surface was visualized. Our data suggest that HA adsorbs to the headgroup region that is oriented towards the water side of the supported bilayer. Phase transitions of the bilayer in response to temperature and pressure changes were also observed in presence and absence of HA. Our results reveal a higher stability against high hydrostatic pressures for DPPC/HA composite layers compared to that of the DPPC bilayer in absence of HA. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Relation between interfacial structure and mechanical properties in AlN/TiN bilayers investigated by EXAFS

    International Nuclear Information System (INIS)

    Ersen, O.; Tuilier, M.-H.; Thobor-Keck, A.; Rousselot, C.; Cortes, R.

    2005-01-01

    The relation between the mechanical properties and the structure of AlN/TiN bilayers prepared by reactive magnetron sputtering in the 600 nm range is investigated. Al and Ti K-edge extended X-ray absorption fine structure is used in order to determine the local order around Al and Ti by comparison with 300 nm thick AlN and TiN single layers. The use of this powerful local probe allows the evidence of intermixing between AlN and TiN deposited layers, which is suggested by glow discharge optical emission spectroscopy experiments. The effect of ionic bombardment applied at various steps of the deposition process is studied. The ionic bombardment applied during the deposit induces substantial changes in the absorption spectra that are assigned to a decrease of intermixing and an improvement of local order. Simulations of (Al, Ti)N ternary alloys Al and Ti K-edge absorption spectra for increasing mean occupation factors C Ti (C Al ) of Ti(Al) substituting Al(Ti) in hexagonal AlN (cubic TiN) lattice are performed in order to determine the initial parameters for the fit of the experimental data. The refinements performed by using FEFFIT software demonstrate that an ionic bombardment applied during the deposition phase results in a significant reduction of the number of Al-Ti pairs within the bilayer and an improvement of the local order around Ti and Al, which is quantified by a decrease of the Debye-Waller parameters. This structural evolution is tentatively correlated with the improvement of mechanical properties of the bilayers

  12. Relation between interfacial structure and mechanical properties in AlN/TiN bilayers investigated by EXAFS

    Energy Technology Data Exchange (ETDEWEB)

    Ersen, O. [Equipe de Recherche Mecanique, Materiaux et Procedes de Fabrication, 61, rue Albert Camus, F-68093 Mulhouse (France)]. E-mail: ovidiu.ersen@ipcms.u-strasbg.fr; Tuilier, M.-H. [Equipe de Recherche Mecanique, Materiaux et Procedes de Fabrication, 61, rue Albert Camus, F-68093 Mulhouse (France); Thobor-Keck, A. [Centre de Recherche sur les Ecoulements les Surfaces et les Transferts (UMR CNRS 6000), ITSFC, 4, place Tharradin, BP 71427, F-25211 Montbeliard (France); Rousselot, C. [Centre de Recherche sur les Ecoulements les Surfaces et les Transferts (UMR CNRS 6000), ITSFC, 4, place Tharradin, BP 71427, F-25211 Montbeliard (France); Cortes, R. [Laboratoire de Physique de la Matiere Condensee (UMR CNRS 7643), Ecole Polytechnique, F-91128 Palaiseau cedex (France)

    2005-06-01

    The relation between the mechanical properties and the structure of AlN/TiN bilayers prepared by reactive magnetron sputtering in the 600 nm range is investigated. Al and Ti K-edge extended X-ray absorption fine structure is used in order to determine the local order around Al and Ti by comparison with 300 nm thick AlN and TiN single layers. The use of this powerful local probe allows the evidence of intermixing between AlN and TiN deposited layers, which is suggested by glow discharge optical emission spectroscopy experiments. The effect of ionic bombardment applied at various steps of the deposition process is studied. The ionic bombardment applied during the deposit induces substantial changes in the absorption spectra that are assigned to a decrease of intermixing and an improvement of local order. Simulations of (Al, Ti)N ternary alloys Al and Ti K-edge absorption spectra for increasing mean occupation factors C {sub Ti} (C {sub Al}) of Ti(Al) substituting Al(Ti) in hexagonal AlN (cubic TiN) lattice are performed in order to determine the initial parameters for the fit of the experimental data. The refinements performed by using FEFFIT software demonstrate that an ionic bombardment applied during the deposition phase results in a significant reduction of the number of Al-Ti pairs within the bilayer and an improvement of the local order around Ti and Al, which is quantified by a decrease of the Debye-Waller parameters. This structural evolution is tentatively correlated with the improvement of mechanical properties of the bilayers.

  13. Determination of manganese interdiffusion parameters in CoFe/IrMn bilayers by X-ray reflectometry

    Energy Technology Data Exchange (ETDEWEB)

    Batista, Pablo Forlam Ribeiro; Andrade, Leandro Hostalacio Freire; Fernandez-Outon, Luis Eugenio; Macedo, Waldemar Augusto de Almeida, E-mail: pfrb@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2016-07-01

    Full text: Interfacial diffusion is expected to have strong influence on the exchange bias coupling in ferromagnetic/antiferromagnetic bilayers, basic structures for spintronic devices [1]. In this work, X-ray reflectometry (XRR) in combination with the Fick's second law [2] was applied to determine manganese interdiffusion parameters in CoFe/IrMn exchange-biased bilayers prepared by magnetron sputtering. The layer thickness and the interfacial roughness of the samples were obtained by fitting the reflectivity curves and the values confirmed by transmission electron microscopy. The manganese diffusion coefficient at the interfaces is in the range of 10{sup -22} m{sup 2}/s, and the activation energy for the interfacial diffusion of manganese is in the order of a few tens of kJ/mol, based on the values of interfacial roughness for different annealing temperatures. References: [1] L. E. Fernandez-Outon, M. S. Araujo Filho, R. E. Araujo, J. D. Ardisson, and W. A. A. Macedo. J. Appl. Phys. 113, 17D704 (2013). [2] J. Y. Wang, A. Zalar, Y.H. Zhao, E.J. Mittemeijer. Thin Solid Films. 433, 92 (2003). (author)

  14. Thickness dependencies of structural and magnetic properties of cubic and tetragonal Heusler alloy bilayer films

    Science.gov (United States)

    Ranjbar, R.; Suzuki, K. Z.; Sugihara, A.; Ando, Y.; Miyazaki, T.; Mizukami, S.

    2017-07-01

    The thickness dependencies of the structural and magnetic properties for bilayers of cubic Co-based Heusler alloys (CCHAs: Co2FeAl (CFA), Co2FeSi (CFS), Co2MnAl (CMA), and Co2MnSi (CMS)) and D022-MnGa were investigated. Epitaxy of the B2 structure of CCHAs on a MnGa film was achieved; the smallest thickness with the B2 structure was found for 3-nm-thick CMS and CFS. The interfacial exchange coupling (Jex) was antiferromagnetic (AFM) for all of the CCHAs/MnGa bilayers except for unannealed CFA/MnGa samples. A critical thickness (tcrit) at which perpendicular magnetization appears of approximately 4-10 nm for the CMA/MnGa and CMS/MnGa bilayers was observed, whereas this thickness was 1-3 nm for the CFA/MnGa and CFS/MnGa films. The critical thickness for different CCHAs materials is discussed in terms of saturation magnetization (Ms) and the Jex .

  15. The effect of spin-orbit coupling in band structure and edge states of bilayer graphene

    Energy Technology Data Exchange (ETDEWEB)

    Sahdan, Muhammad Fauzi; Darma, Yudi, E-mail: yudi@fi.itb.ac.id [Department of Physics, InstitutTeknologi Bandung, Jalan Ganesa 10, Bandung 40132 (Indonesia)

    2015-04-16

    Topological insulators are predicted to be useful ranging from spintronics to quantum computation. Graphene was first predicted to be the precursor of topological insulator by Kane-Mele. They developed a Hamiltonian model to describe the gap opening in graphene. In this work, we investigate the band structure of bilayer grapheme and also its edge states by using this model with analytical approach. The results of our calculation show that the gap opening occurs at K and K’ point in bilayer graphene.In addition, a pair of gapless edge modes occurs both in the zigzag and arm-chair configurations are no longer exist. There are gap created at the edge even though thery are very small.

  16. Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene

    Science.gov (United States)

    Kadioglu, Yelda; Santana, Juan A.; Özaydin, H. Duygu; Ersan, Fatih; Aktürk, O. Üzengi; Aktürk, Ethem; Reboredo, Fernando A.

    2018-06-01

    We have studied the structural stability of monolayer and bilayer arsenene (As) in the buckled (b) and washboard (w) phases with diffusion quantum Monte Carlo (DMC) and density functional theory (DFT) calculations. DMC yields cohesive energies of 2.826(2) eV/atom for monolayer b-As and 2.792(3) eV/atom for w-As. In the case of bilayer As, DMC and DFT predict that AA-stacking is the more stable form of b-As, while AB is the most stable form of w-As. The DMC layer-layer binding energies for b-As-AA and w-As-AB are 30(1) and 53(1) meV/atom, respectively. The interlayer separations were estimated with DMC at 3.521(1) Å for b-As-AA and 3.145(1) Å for w-As-AB. A comparison of DMC and DFT results shows that the van der Waals density functional method yields energetic properties of arsenene close to DMC, while the DFT + D3 method closely reproduced the geometric properties from DMC. The electronic properties of monolayer and bilayer arsenene were explored with various DFT methods. The bandgap values vary significantly with the DFT method, but the results are generally qualitatively consistent. We expect the present work to be useful for future experiments attempting to prepare multilayer arsenene and for further development of DFT methods for weakly bonded systems.

  17. Intercalation of small hydrophobic molecules in lipid bilayers containing cholesterol

    Energy Technology Data Exchange (ETDEWEB)

    Worcester, D.L.; Hamacher, K.; Kaiser, H.; Kulasekere, R.; Torbet, J. [Univ. of Missouri, Columbia, MO (United States)

    1994-12-31

    Partitioning of small hydrophobic molecules into lipid bilayers containing cholesterol has been studied using the 2XC diffractometer at the University of Missouri Research Reactor. Locations of the compounds were determined by Fourier difference methods with data from both deuterated and undeuterated compounds introduced into the bilayers from the vapor phase. Data fitting procedures were developed for determining how well the compounds were localized. The compounds were found to be localized in a narrow region at the center of the hydrophobic layer, between the two halves of the bilayer. The structures are therefore intercalated structures with the long axis of the molecules in the plane of the bilayer.

  18. Intercalation of small hydrophobic molecules in lipid bilayers containing cholesterol

    International Nuclear Information System (INIS)

    Worcester, D.L.; Hamacher, K.; Kaiser, H.; Kulasekere, R.; Torbet, J.

    1994-01-01

    Partitioning of small hydrophobic molecules into lipid bilayers containing cholesterol has been studied using the 2XC diffractometer at the University of Missouri Research Reactor. Locations of the compounds were determined by Fourier difference methods with data from both deuterated and undeuterated compounds introduced into the bilayers from the vapor phase. Data fitting procedures were developed for determining how well the compounds were localized. The compounds were found to be localized in a narrow region at the center of the hydrophobic layer, between the two halves of the bilayer. The structures are therefore intercalated structures with the long axis of the molecules in the plane of the bilayer

  19. Effect of Ceramide Tail Length on the Structure of Model Stratum Corneum Lipid Bilayers.

    Science.gov (United States)

    Moore, Timothy C; Hartkamp, Remco; Iacovella, Christopher R; Bunge, Annette L; McCabe, Clare

    2018-01-09

    Lipid bilayers composed of non-hydroxy sphingosine ceramide (CER NS), cholesterol (CHOL), and free fatty acids (FFAs), which are components of the human skin barrier, are studied via molecular dynamics simulations. Since mixtures of these lipids exist in dense gel phases with little molecular mobility at physiological conditions, care must be taken to ensure that the simulations become decorrelated from the initial conditions. Thus, we propose and validate an equilibration protocol based on simulated tempering, in which the simulation takes a random walk through temperature space, allowing the system to break out of metastable configurations and hence become decorrelated from its initial configuration. After validating the equilibration protocol, which we refer to as random-walk molecular dynamics, the effects of the lipid composition and ceramide tail length on bilayer properties are studied. Systems containing pure CER NS, CER NS + CHOL, and CER NS + CHOL + FFA, with the CER NS fatty acid tail length varied within each CER NS-CHOL-FFA composition, are simulated. The bilayer thickness is found to depend on the structure of the center of the bilayer, which arises as a result of the tail-length asymmetry between the lipids studied. The hydrogen bonding between the lipid headgroups and with water is found to change with the overall lipid composition, but is mostly independent of the CER fatty acid tail length. Subtle differences in the lateral packing of the lipid tails are also found as a function of CER tail length. Overall, these results provide insight into the experimentally observed trend of altered barrier properties in skin systems where there are more CERs with shorter tails present. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  20. Electron density analysis of the effects of sugars on the structure of lipid bilayers at low hydration - a preliminary study

    Energy Technology Data Exchange (ETDEWEB)

    Lenné, T.; Kent, B.; Koster, K.L.; Garvey, C.J.; Bryant, G. (ANSTO); (USD); (ANU); (RMIT)

    2012-02-06

    Small angle X-ray scattering is used to study the effects of sugars on membranes during dehydration. Previous work has shown that the bilayer and chain-chain repeat spacings of DPPC bilayers are relatively unaffected by the presence of sugars. In this work we present a preliminary analysis of the electron density profiles of DPPC in the presence of sugars at low hydration. The difficulties of determining the correct phasing are discussed. Sugars and other small solutes have been shown to have an important role in improving the tolerance of a range of species to desiccation and freezing. In particular it has been shown that sugars can stabilize membranes in the fluid membrane phase during dehydration, and in the fully dehydrated state. Equivalently, at a particular hydration, the presence of sugars lowers the transition temperature between the fluid and gel phases. There are two competing models for explaining the effects of sugars on membrane phase transition temperatures. One, designated the water replacement hypothesis (WRH) states that sugars hydrogen bond to phospholipid headgroups, thus hindering the fluid-gel phase transition. One version of this model suggests that certain sugars (such as trehalose) achieve the measured effects by inserting between the phospholipid head groups. An alternative model explains the observed effects of sugars in terms of the sugars effect on the hydration repulsion that develops between opposing membranes during dehydration. The hydration repulsion leads to a lateral compressive stress in the bilayer which squeezes adjacent lipids more closely together, resulting in a transition to the gel phase. When sugars are present, their osmotic and volumetric effects reduce the hydration repulsion, reduce the compressive stress in the membranes, and therefore tend to maintain the average lateral separation between lipids. This model is called the hydration forces explanation (HFE). We recently showed that neither mono- nor di

  1. Impact of amphiphilic molecules on the structure and stability of homogeneous sphingomyelin bilayer: Insights from atomistic simulations

    Science.gov (United States)

    Kumari, Pratibha; Kaur, Supreet; Sharma, Shobha; Kashyap, Hemant K.

    2018-04-01

    Modulation of lipid membrane properties due to the permeation of amphiphiles is an important biological process pertaining to many applications in the field of pharmaceutics, toxicology, and biotechnology. Sphingolipids are both structural and functional lipids that constitute an important component of mechanically stable and chemically resistant outer leaflets of plasma membranes. Here, we present an atomistic molecular dynamics simulation study to appreciate the concentration-dependent effects of small amphiphilic molecules, such as ethanol, acetone, and dimethyl sulfoxide (DMSO), on the structure and stability of a fully hydrated homogeneous N-palmitoyl-sphingomyelin (PSM) bilayer. The study reveals an increase in the lateral expansion of the bilayer along with disordering of the hydrophobic lipid tails on increasing the concentration of ethanol. At higher concentrations of ethanol, rupturing of the bilayer is quite evident through the analysis of partial electron density profiles and lipid tail order parameters. For ethanol containing systems, permeation of water molecules in the hydrophobic part of the bilayer is allowed through local defects made due to the entry of ethanol molecules via ethanol-ethanol and ethanol-PSM hydrogen bonds. Moreover, the extent of PSM-PSM hydrogen bonding decreases with increasing ethanol concentration. On the other hand, acetone and DMSO exhibit minimal effects on the stability of the PSM bilayer at their lower concentrations, but at higher concentrations they tend to enhance the stability of the bilayer. The simulated potential of mean force (PMF) profiles for the translocation of the three solutes studied reveal that the free-energy of transfer of an ethanol molecule across the PSM lipid head region is lower than that for acetone and DMSO molecules. However, highest free-energy rise in the core hydrophobic part of the bilayer is observed for the DMSO molecule, whereas the ethanol and acetone PMF profiles show a lower barrier in

  2. Controlled bending and folding of a bilayer structure consisting of a thin stiff film and a heat shrinkable polymer sheet

    Science.gov (United States)

    Cui, Jianxun; Adams, John G. M.; Zhu, Yong

    2018-05-01

    Bending pre-designed flat sheets into three-dimensional (3D) structures is attracting much interest, as it provides a simple approach to make 3D devices. Here we report controlled bending and folding of a bilayer structure consisting of a heat shrinkable polymer sheet and a thin stiff film (not thermally responsive). Upon heating, the prestrained polymer sheet shrinks, leading to bending or folding of the bilayer. We studied the effect of relative dimensions of the two layers on the bending behavior and demonstrated the transition from longitudinal bending to transverse bending of the bilayer strip. Transverse bending was utilized to fold origami structures, including several flat letters, a crane, and a corrugated metal sheet via Miura-ori folding. We developed a method to further control the bending orientation based on bio-inspired anisotropic bending stiffness. By bending the metal foil in different orientations, several structures were obtained, including cylindrical surfaces and left-handed/right-handed helical structures.

  3. Bilayer-structured nanocomposite of Ag and crosslinked polyelectrolyte for the detection of humidity

    International Nuclear Information System (INIS)

    Li, Yang; Wu, Taotao; Yang, Mujie

    2015-01-01

    Nanocomposites of quaternized and crosslinked poly(4-vinylpyridine) (QC-P4VP) and silver nanoparticles were prepared by a two-step procedure, and characterized by Fourier-transform infrared spectroscopy, Ultraviolet–visible spectroscopy and scanning electron microscopy. Bilayer-structured humidity sensors based on the nanocomposites were fabricated, and the effects of the concentration of silver salt precursor and poly(4-vinylpyridine), the method for the reduction of silver salt, the deposition order of the sensitive layers and environmental temperature on the humidity sensing characteristics of the composite sensor have been examined at room temperature. The composite sensor exhibited low impedance under dry atmosphere due to the introduction of Ag nanoparticles, and could detect very low relative humidity (RH) (down to 1% RH) with good sensitivity (impedance change of 2000% from 1% to 30% RH). In addition, the composite sensor demonstrated very wide measuring range (1–98% RH), and revealed faster response and smaller hysteresis than the sensor based on QC-P4VP alone. The complex impedance spectra of the composite sensor in the environments with different RH levels were investigated to explore its humidity sensing mechanism. - Highlights: • Bilayer-structured nanocomposite of Ag and polyelectrolyte are facilely prepared. • Nanocomposite could measure humidity as low as 1% RH and show small hysteresis. • Nanocomposite is capable of detecting full-range humidity with high sensitivity

  4. Growth, structure and magnetic properties of single crystalline Fe/CoO/Ag(001) bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Abrudan, R.M.

    2007-07-16

    The structural and magnetic properties of epitaxially deposited single-crystalline CoO layers and Fe/CoO bilayers on Ag(001) were investigated. CoO films on Ag(001) exhibit (1 x 1) Low Energy Electron Diffraction (LEED) patterns similar to the clean Ag(001) substrate. The vertical interlayer spacing of the CoO films, deduced from a kinematic analysis of LEED I(E) curves, is a {sub perpendicular} {sub to} /2=2.17 Aa, slightly expanded along the film normal. Scanning Tunneling Microscopy (STM) show a big improvement in the surface roughness after annealing the CoO films at 750 K in oxygen atmosphere. Magnetic measurements using the magneto-optical Kerr effect (MOKE) show a characteristic increase of the coercive field when the Fe/CoO bilayer system is cooled down from room temperature to 150 K. The ordering temperature for the antiferromagnetic layer is in the same range as the Neel temperature for bulk CoO (T{sub N}=290 K). X-ray absorption spectroscopy was employed to probe magnetic and electronic properties with elemental selectivity. Absorption spectra taken from bilayers with different amounts of deposited Fe show only a weak indication for the formation of Fe oxide at the Fe/CoO interface (0.3 ML Fe). From the spectral shape it is concluded that an FeO type of oxide is formed. X-ray Magnetic Circular Dichroism (XMCD) measurements exhibit a sizeable induced ferromagnetic signal at the Co L{sub 2,3} absorption edge, corresponding to an interface layer of 1.1 ML in which the magnetic spins couple with the Fe layer. The angular dependence of the X-ray Magnetic Linear Dichroism (XMLD) and X-ray Magnetic Circular Dichroism XMCD at both the Co and Fe L{sub 2,3} edges shows the orientation of the Co and Fe moments in the bilayers with respect to the crystallographic direction. PhotoElectron Emission Microscope (PEEM) is used to image each ferromagnetic and antiferromagnetic layer separately. Magnetic contrast due to the induced magnetic spins at the interface is also

  5. The Effects of Alkyl Chain Combinations on the Structural and Mechanical Properties of Biomimetic Ion Pair Amphiphile Bilayers

    Directory of Open Access Journals (Sweden)

    Cheng-hao Chen

    2017-10-01

    Full Text Available Ion pair amphiphile (IPA, a lipid-like complex composed of a pair of cationic and anionic surfactants, has great potentials in various pharmaceutical applications. In this work, we utilized molecular dynamics (MD simulation to systematically examine the structural and mechanical properties of the biomimetic bilayers consist of alkyltrimethyl-ammonium-alkylsulfate (CmTMA+-CnS− IPAs with various alkyl chain combinations. Our simulations show an intrinsic one-atom offset for the CmTMA+ and CnS− alignment, leading to the asymmetric index definition of ΔC = m − (n + 1. Larger |ΔC| gives rise to higher conformational fluctuations of the alkyl chains with the reduced packing order and mechanical strength. In contrast, increasing the IPA chain length enhances the van der Waals interactions within the bilayer and thus improves the bilayer packing order and mechanical properties. Further elongating the CmTMA+-CnS− alkyl chains to m and n ≥ 12 causes the liquid disorder to gel phase transition of the bilayer at 298 K, with the threshold membrane properties of 0.45 nm2 molecular area, deuterium order parameter value of 0.31, and effective bending rigidity of 20 kBT, etc. The combined results provide molecular insights into the design of biomimetic IPA bilayers with wide structural and mechanical characteristics for various applications.

  6. Transport in bilayer and trilayer graphene: band gap engineering and band structure tuning

    Science.gov (United States)

    Zhu, Jun

    2014-03-01

    Controlling the stacking order of atomically thin 2D materials offers a powerful tool to control their properties. Linearly dispersed bands become hyperbolic in Bernal (AB) stacked bilayer graphene (BLG). Both Bernal (ABA) and rhombohedral (ABC) stacking occur in trilayer graphene (TLG), producing distinct band structures and electronic properties. A symmetry-breaking electric field perpendicular to the sample plane can further modify the band structures of BLG and TLG. In this talk, I will describe our experimental effort in these directions using dual-gated devices. Using thin HfO2 film deposited by ALD as gate dielectric, we are able to apply large displacement fields D > 6 V/nm and observe the opening and saturation of the field-induced band gap Eg in bilayer and ABC-stacked trilayer graphene, where the conduction in the mid gap changes by more than six decades. Its field and temperature dependence highlights the crucial role played by Coulomb disorder in facilitating hopping conduction and suppressing the effect of Eg in the tens of meV regime. In contrast, mid-gap conduction decreases with increasing D much more rapidly in clean h-BN dual-gated devices. Our studies also show the evolution of the band structure in ABA-stacked TLG, in particular the splitting of the Dirac-like bands in large D field and the signatures of two-band transport at high carrier densities. Comparison to theory reveals the need for more sophisticated treatment of electronic screening beyond self-consistent Hartree calculations to accurately predict the band structures of trilayer graphene and graphenic materials in general.

  7. Flip-Flop of Steroids in Phospholipid Bilayers: Effects of the Chemical Structure on Transbilayer Diffusion

    DEFF Research Database (Denmark)

    Parisio, Giulia; Sperotto, Maria Maddalena; Ferrarini, Alberta

    2012-01-01

    is still missing. The scarce knowledge derives from the difficulty of experimental determination. Because of its slow rate on the molecular time scale, flip-flop is challenging also for computational techniques. Here, we report a study of the passive transbilayer diffusion of steroids, based on a kinetic......, dielectric permittivity, acyl chain order parameters, and lateral pressure. The flip-flop rates are determined by solving the Master Equation that governs the time evolution of the system, with transition rates between free energy minima evaluated according to the Kramers theory. Considering various steroids...... (cholesterol, lanosterol, ketosterone, 5-cholestene, 25-hydroxycholesterol, and testosterone), we can discuss how differences in molecular shape and polarity affect the pathway and the rate of flip-flop in a liquid crystalline 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) bilayer, at low steroid...

  8. Optical and structural investigations of self-assembled Ge/Si bi-layer containing Ge QDs

    Energy Technology Data Exchange (ETDEWEB)

    Samavati, Alireza, E-mail: alireza.samavati@yahoo.com [Ibn Sina Institute for Fundamental Science Studies, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Othaman, Z., E-mail: zulothaman@gmail.com [Ibn Sina Institute for Fundamental Science Studies, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Ghoshal, S.K.; Dousti, M.R. [Advanced Optical Material Research Group, Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, 81310 UTM Skudai, Johor (Malaysia)

    2014-10-15

    We report the influence of Si spacer thickness variation (10–40 nm) on structural and optical properties of Ge quantum dots (QDs) in Ge/Si(1 0 0) bi-layer grown by radio frequency magnetron sputtering. AFM images reveal the spacer dependent width, height, root mean square roughness and number density of QDs vary in the range of ∼12–25 nm, ∼2–6 nm, ∼1.95–1.05 nm and ∼0.55×10{sup 11}–2.1×10{sup 11} cm{sup −2}, respectively. XRD patterns exhibit the presence of poly-oriented structures of Ge with preferred growth along (1 1 1) direction accompanied by a reduction in strain from 4.9% to 1.2% (estimated from Williamson–Hall plot) due to bi-layering. The room temperature luminescence displays strong blue–violet peak associated with a blue shift as much as 0.05 eV upon increasing the thickness of Si spacer. This shift is attributed to the quantum size effect, the material intermixing and the strain mediation. Raman spectra for both mono and bi-layer samples show intense Ge–Ge optical phonon mode that is shifted towards higher frequency. Furthermore, the first order features of Raman spectra affirm the occurrence of interfacial intermixing and phase formation during deposition. The excellent features of the results suggest that our systematic method may constitute a basis for the tunable growth of Ge QDs suitable in nanophotonics. - Highlights: • High quality bilayered hetero-structure Ge/Si using economic and easy rf magnetron sputtering fabrication method. • The role of phonon-confinement and strain relaxation mechanisms. • Influence of bilayering on evolutionary growth dynamics. • Band gap shift of visible PL upon bilayering.

  9. Tribology of implantation bilayers

    International Nuclear Information System (INIS)

    Pivin, J.C.

    1989-01-01

    The mechanical behaviour of implantation films must be analysed in terms of bilayer rheology (laws of mechanical behaviour). Tribology takes into account thermodynamical, chemical and metallurgical parameters to interpret the friction properties of a system as a whole. One can distinguish between alloying effects of ion implantation and structural modifications. Alloying affects the basic properties of the crystal: elasticity, cohesion, mobility of planar defects, and its surface electronic structure, which determines the reactivity with the atmosphere or the friction counterpart (adhesion). Radiation damage and phase changes act more particularly on the modes of gliding and climbing of dislocations, and fracture mechanisms. 105 refs.; 11 figs.; 1 table

  10. NIR studies of cholesterol-dependent structural modification of the model lipid bilayer doped with inhalation anesthetics

    Science.gov (United States)

    Kuć, Marta; Cieślik-Boczula, Katarzyna; Rospenk, Maria

    2018-06-01

    The influence of cholesterol on the structure of the model lipid bilayers treated with inhalation anesthetics (enflurane, isoflurane, sevoflurane and halothane) was investigated employing near-infrared (NIR) spectroscopy combined with the Principal Component Analysis (PCA). The conformational changes occurring in the hydrophobic area of the lipid bilayers were analyzed using the first overtones of symmetric (2νs) and antisymmetric (2νas) stretching vibrations of the CH2 groups of lipid aliphatic chains. The temperature values of chain-melting phase transition (Tm) of anesthetic-mixed dipalmitoylphosphatidylcholine (DPPC)/cholesterol and dipalmitoylphosphatidylglycerol (DPPG)/cholesterol membranes, which were obtained from the PCA analysis, were compared with cholesterol-free DPPC and DPPG bilayers mixed with inhalation anesthetics.

  11. Possible role of non-bilayer lipids in the structure of mitochondria. A freeze-fracture electron microscopy study

    NARCIS (Netherlands)

    Venetie, R. van; Verkleij, A.J.

    1982-01-01

    The possible role of non-bilayer phospholipids on the structure of isolated rat liver mitochondria has been morphologically studied. Freshly isolated freeze-fractured mitochondria show smooth fracture faces with particles, representing the limiting membranes. The frequency and size of the particles

  12. Enhanced Performance of Dye-Sensitized Solar Cells with Graphene/ZnO Nanoparticles Bilayer Structure

    Directory of Open Access Journals (Sweden)

    Chih-Hung Hsu

    2014-01-01

    Full Text Available This study reports characteristics of dye-sensitized solar cells (DSSCs with graphene/ZnO nanoparticle bilayer structure. The enhancement of the performance of DSSCs achieved using graphene/ZnO nanoparticle films is attributable to the introduction of an electron-extraction layer and absorption of light in the visible range and especially in the range 300–420 nm. DSSC that was fabricated with graphene/ZnO nanoparticle film composite photoanodes exhibited a Voc of 0.5 V, a Jsc of 17.5 mA/cm2, an FF of 0.456, and a calculated η of 3.98%.

  13. Bi-layer graphene structure with non-equivalent planes: Magnetic properties study

    Science.gov (United States)

    Mhirech, A.; Aouini, S.; Alaoui-Ismaili, A.; Bahmad, L.

    2018-05-01

    In this paper, we study the magnetic properties of a ferromagnetic bi-layer graphene structure with non-equivalent planes. The geometry of the studied system is formed by two layers (A) and (B) consisting of the spins σ = 1 / 2 and S = 1 . For this purpose, the influence of the coupling exchange interactions, the external magnetic and the crystal fields are investigated and presented as well as the ground state phase diagrams. The Monte Carlo simulations have been used to examine the behavior of the partial and the total magnetizations as a function of the system parameters. These effects on the compensation and critical temperatures behavior are also presented in different phase diagrams, for the studied system.

  14. Size effect on magnetic properties of a nano-graphene bilayer structure: A Monte Carlo study

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R. [Laboratory of Materials, Process, Environment and Quality, Cady Ayyad University, National School of Applied Sciences, Safi (Morocco); Laboratoire de Magnetisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Universite Mohammed V-Agdal, Faculte des Sciences, B.P. 1014 Rabat (Morocco); Bahmad, L., E-mail: bahmad@fsr.ac.ma [Laboratoire de Magnetisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Universite Mohammed V-Agdal, Faculte des Sciences, B.P. 1014 Rabat (Morocco); Benyoussef, A. [Laboratoire de Magnetisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Universite Mohammed V-Agdal, Faculte des Sciences, B.P. 1014 Rabat (Morocco)

    2012-11-15

    In this paper we use the Monte Carlo simulations to investigate the magnetic properties of an Ising ferromagnetic-antiferromagnetic model. The system is based on a nano-graphene structure-like bilayer with two bloc sizes: N=24 and 42 spins. For each size N, the upper layer A is formed with spin -3/2, whereas the lower layer B is composed of spin -5/2. We only consider the first nearest-neighbor interactions between the sites i and j. The magnetic properties are studied, in the absence as well as in the presence of a crystal magnetic field, and an external magnetic field. The increasing temperature and crystal field as well as the inter-layer coupling constant, are also studied for this system sizes N=24 and 42 spins. The zero-field-cooled and the field cooled magnetization behaviors are investigated for different values of external magnetic field and a fixed value of exchange interaction between the two blocs. The magnetizations as well as the magnetic susceptibilities versus the temperature are used in order to obtain blocking temperature. The saturation magnetization and coercive field are also obtained for the two sizes of the studied system. It is found that the blocking temperature decreases on increasing the crystal magnetic field and/or the external magnetic field, for a fixed system size. On the other hand, it is found that the blocking temperature increases on increasing the system size from N=24 to 42 spins, for fixed values of external and the crystal magnetic fields. - Highlights: Black-Right-Pointing-Pointer Magnetic properties of an Ising ferromagnetic-antiferromagnetic bilayer is studied. Black-Right-Pointing-Pointer Monte Carlo simulations are used. Black-Right-Pointing-Pointer Zero-field-cooled (ZFC) and field cooled (FC) magnetization behaviors for nano-graphene are obtained.

  15. The roles of bulk and interfacial molecular orientations in determining the performance of organic bilayer solar cells

    KAUST Repository

    Ngongang Ndjawa, Guy O.

    2014-09-09

    Molecular orientation plays a significant role in determining the performance of small molecule solar cells. Key photovoltaic processes in these cells are strongly dependent on how the molecules are oriented in the active layer. We isolate contributions arising from the bulk molecular orientations vs. those from interfacial orientations in ZnPc/C60 bilayer systems and we probe these contributions by comparing device pairs in which only the bulk or the interface differ. By controlling the orientation in the bulk the current can be strongly modulated, whereas controlling the interfacial molecular orientation and degree of intermixing mediate the voltage.

  16. The roles of bulk and interfacial molecular orientations in determining the performance of organic bilayer solar cells

    KAUST Repository

    Ngongang Ndjawa, Guy O.; Graham, Kenneth R.; Conron, Sarah; Erwin, Patrick; Li, Ruipeng; Chou, Kang Wei; Burkhard, George; Krishnan Jagadamma, Lethy; Hoke, Eric T.; McGehee, Michael D.; Thompson, Mark E.; Amassian, Aram

    2014-01-01

    Molecular orientation plays a significant role in determining the performance of small molecule solar cells. Key photovoltaic processes in these cells are strongly dependent on how the molecules are oriented in the active layer. We isolate contributions arising from the bulk molecular orientations vs. those from interfacial orientations in ZnPc/C60 bilayer systems and we probe these contributions by comparing device pairs in which only the bulk or the interface differ. By controlling the orientation in the bulk the current can be strongly modulated, whereas controlling the interfacial molecular orientation and degree of intermixing mediate the voltage.

  17. Thickness-dependent surface plasmon resonance of ITO nanoparticles for ITO/In-Sn bilayer structure.

    Science.gov (United States)

    Wei, Wenzuo; Hong, Ruijin; Jing, Ming; Shao, Wen; Tao, Chunxian; Zhang, Dawei

    2018-01-05

    Tuning the localized surface plasmon resonance (LSPR) in doped semiconductor nanoparticles (NPs), which represents an important characteristic in LSPR sensor applications, still remains a challenge. Here, indium tin oxide/indium tin alloy (ITO/In-Sn) bilayer films were deposited by electron beam evaporation and the properties, such as the LSPR and surface morphology, were investigated by UV-VIS-NIR double beam spectrophotometer and atomic force microscopy (AFM), respectively. By simply engineering the thickness of ITO/In-Sn NPs without any microstructure fabrications, the LSPR wavelength of ITO NPs can be tuned by a large amount from 858 to 1758 nm. AFM images show that the strong LSPR of ITO NPs is closely related to the enhanced coupling between ITO and In-Sn NPs. Blue shifts of ITO LSPR from 1256 to 1104 nm are also observed in the as-annealed samples due to the higher free carrier concentration. Meanwhile, we also demonstrated that the ITO LSPR in ITO/In-Sn NPs structures has good sensitivity to the surrounding media and stability after 30 d exposure in air, enabling its application prospects in many biosensing devices.

  18. Touching points in the energy band structure of bilayer graphene superlattices

    International Nuclear Information System (INIS)

    Pham, C Huy; Nguyen, V Lien

    2014-01-01

    The energy band structure of the bilayer graphene superlattices with zero-averaged periodic δ-function potentials are studied within the four-band continuum model. Using the transfer matrix method, the study is mainly focused on examining the touching points between adjacent minibands. For the zero-energy touching points the dispersion relation derived shows a Dirac-like double-cone shape with the group velocity which is periodic in the potential strength P with the period of π and becomes anisotropic at relatively large P. From the finite-energy touching points we have identified those located at zero wave-number. It was shown that for these finite-energy touching points the dispersion is direction-dependent in the sense that it is linear or parabolic in the direction parallel or perpendicular to the superlattice direction, respectively. We have also calculated the density of states and the conductivity which demonstrates a manifestation of the touching points examined. (paper)

  19. Lipids, lipid bilayers and vesicles as seen by neutrons

    International Nuclear Information System (INIS)

    Seto, Hideki

    2011-01-01

    Lipid molecules self-assemble into bilayers in water with their hydrocarbon chains facing inward due to their amphiphilic nature. The structural and dynamical properties of lipids and lipid bilayers have been studied by neutron scattering intensively. In this article, 3 topics are shown as typical examples. 1) a time-resolved small-angle neutron scattering on uni-lamellar vesicles composed of deuterated and protonated lipids to determine lipid kinetics, 2) small-angle neutron scattering to investigate spontaneous formation of nanopores on uni-lamellar vesicles, and 3) neutron spin echo study to determine bending modulus of lipid bilayers. (author)

  20. Orientation and Order of the Amide Group of Sphingomyelin in Bilayers Determined by Solid-State NMR

    Science.gov (United States)

    Matsumori, Nobuaki; Yamaguchi, Toshiyuki; Maeta, Yoshiko; Murata, Michio

    2015-01-01

    Sphingomyelin (SM) and cholesterol (Chol) are considered essential for the formation of lipid rafts; however, the types of molecular interactions involved in this process, such as intermolecular hydrogen bonding, are not well understood. Since, unlike other phospholipids, SM is characterized by the presence of an amide group, it is essential to determine the orientation of the amide and its order in the lipid bilayers to understand the nature of the hydrogen bonds in lipid rafts. For this study, 1′-13C-2-15N-labeled and 2′-13C-2-15N-labeled SMs were prepared, and the rotational-axis direction and order parameters of the SM amide in bilayers were determined based on 13C and 15N chemical-shift anisotropies and intramolecular 13C-15N dipole coupling constants. Results revealed that the amide orientation was minimally affected by Chol, whereas the order was enhanced significantly in its presence. Thus, Chol likely promotes the formation of an intermolecular hydrogen-bond network involving the SM amide without significantly changing its orientation, providing a higher order to the SM amide. To our knowledge, this study offers new insight into the significance of the SM amide orientation with regard to molecular recognition in lipid rafts, and therefore provides a deeper understanding of the mechanism of their formation. PMID:26083921

  1. Creation of quasi-Dirac points in the Floquet band structure of bilayer graphene.

    Science.gov (United States)

    Cheung, W M; Chan, K S

    2017-06-01

    We study the Floquet quasi-energy band structure of bilayer graphene when it is illuminated by two laser lights with frequencies [Formula: see text] and [Formula: see text] using Floquet theory. We focus on the dynamical gap formed by the conduction band with Floquet index  =  -1 and the valence band with Floquet index  =  +1 to understand how Dirac points can be formed. It is found that the dynamical gap does not have rotation symmetry in the momentum space, and quasi-Dirac points, where the conduction and valence bands almost touch, can be created when the dynamical gap closes along some directions with suitably chosen radiation parameters. We derive analytical expressions for the direction dependence of the dynamical gaps using Lowdin perturbation theory to gain a better understanding of the formation of quasi-Dirac points. When both radiations are circularly polarized, the gap can be exactly zero along some directions, when only the first and second order perturbations are considered. Higher order perturbations can open a very small gap in this case. When both radiations are linearly polarized, the gap can be exactly zero up to the fourth order perturbation and more than one quasi-Dirac point is formed. We also study the electron velocity around a dynamical gap and show that the magnitude of the velocity drops to values close to zero when the k vector is near to the gap minimum. The direction of the velocity also changes around the gap minimum, and when the gap is larger in value the change in the velocity direction is more gradual. The warping effect does not affect the formation of a Dirac point along the k x axis, while it prevents its formation when there is phase shift between the two radiations.

  2. Determinants of capital structure.

    Science.gov (United States)

    McCue, M J; Ozcan, Y A

    1992-01-01

    This study analyzes the determinants of hospital capital structure in a new market setting that are created by the financial pressures of prospective payment and the intense price competition among hospitals. Using California data, the study found hospital system affiliation, bed size, growth rate in revenues, operating risk, and asset structure affected both short- and long-term debt borrowings. In addition, percentage of uncompensated care, profitability, and payer mix influenced short-term borrowings while market conditions and ownership affected long-term borrowings. Most significant of all is the finding that smaller hospitals tend to borrow more, possibly because they cannot generate funds internally.

  3. Interface properties of bilayer structure Alq{sub 3}/Fe{sub 65}Co{sub 35}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhen, E-mail: wangzhen@chd.edu.cn [Department of Applied Physics, Chang’an University, Xi’an 710064 (China); Xu, Chunlong; Wang, Jinguo; Chang, Qiaoli [Department of Applied Physics, Chang’an University, Xi’an 710064 (China); Zuo, Yalu; Xi, Li [Key Laboratory for Magnetism and Magnetic Materials of Ministry of Education, Lanzhou University, Lanzhou 730000 (China)

    2015-04-01

    Highlights: • Bilayer structure of Alq{sub 3}/FeCo was fabricated in a dual ultra high vacuum chamber. • Organic layer reacts partially with the FeCo film. • Electronic injection barrier is 0.76 eV in the interface. • The induced uniaxial anisotropy appears in Alq{sub 3}/FeCo. - Abstract: The interface between the organic and magnetic electrodes is a fundamental problem in organic spintronics devices. Therefore, bilayer structure of Alq{sub 3}/FeCo was fabricated in a dual ultra high vacuum chamber. The electronic structure of Alq{sub 3}–FeCo interface has been studied by X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy with Argon ion etching technique. It was found that organic layer reacts partially with the FeCo film, forming complex binding of metallic carbide and/or oxidation state in the interfacial region. Electronic injection barrier is 0.76 eV in the interface. The structural variation of the contact region is proposed to be one of the possible factors resulting in spin-injection failure. The magnetic properties of FeCo film with different thicknesses on glass substrate and Alq{sub 3} layer are also investigated. The induced uniaxial anisotropy only presents in 3 nm FeCo thickness for glass/FeCo, while it appears in 3–5 nm FeCo for Alq{sub 3}/FeCo.

  4. Determining the Gaussian Modulus and Edge Properties of 2D Materials: From Graphene to Lipid Bilayers

    Science.gov (United States)

    Zelisko, Matthew; Ahmadpoor, Fatemeh; Gao, Huajian; Sharma, Pradeep

    2017-08-01

    The dominant deformation behavior of two-dimensional materials (bending) is primarily governed by just two parameters: bending rigidity and the Gaussian modulus. These properties also set the energy scale for various important physical and biological processes such as pore formation, cell fission and generally, any event accompanied by a topological change. Unlike the bending rigidity, the Gaussian modulus is, however, notoriously difficult to evaluate via either experiments or atomistic simulations. In this Letter, recognizing that the Gaussian modulus and edge tension play a nontrivial role in the fluctuations of a 2D material edge, we derive closed-form expressions for edge fluctuations. Combined with atomistic simulations, we use the developed approach to extract the Gaussian modulus and edge tension at finite temperatures for both graphene and various types of lipid bilayers. Our results possibly provide the first reliable estimate of this elusive property at finite temperatures and appear to suggest that earlier estimates must be revised. In particular, we show that, if previously estimated properties are employed, the graphene-free edge will exhibit unstable behavior at room temperature. Remarkably, in the case of graphene, we show that the Gaussian modulus and edge tension even change sign at finite temperatures.

  5. Interactions of triglycerides with phospholipids: Incorporation into the bilayer structure and formation of emulsions

    International Nuclear Information System (INIS)

    Hamilton, J.A.

    1989-01-01

    Interactions of carbonyl 13 C-enriched triacylglycerols (TG) with phospholipid bilayers were studied by 13 C NMR spectroscopy. In spectra of DPPC vesicles with TG at 40-50 degree C, both triolein (TO) and tripalmitin (TP) had narrow carbonyl resonances, indicative of rapid motions, and chemical shifts indicative of H bonding of the TG carbonyls with solvent (H 2 O) at the aqueous interfaces of the vesicle bilayer. Below the phase transition temperature of the DPPC/TG vesicles, most phospholipid peaks broadened markedly. In DPPC vesicles with TP, the TP carbonyl peaks broadened beyond detection below the transition, whereas in vesicles with TO, the TO carbonyl peaks showed little change in line width or chemical shift and no change in the integrated intensity. These properties (extent of solubility in the PC surface, conformation, solvent accessibility, and molecular mobility) may be important for enzymatic hydrolysis and protein-mediated transfer of TG. In gel-phase DPPC, the molecular mobility of the TG depends on the nature of the TG acyl chains. In the DPPC/TG mixtures studied, attempts to incorporate TG in excess of the bilayer solubility resulted in production of emulsion particles. The significance of these results for TG metabolism is discussed

  6. Bi-layer structure of counterstreaming energetic electron fluxes: a diagnostic tool of the acceleration mechanism in the Earth's magnetotail

    Directory of Open Access Journals (Sweden)

    D. V. Sarafopoulos

    2010-02-01

    Full Text Available For the first time we identify a bi-layer structure of energetic electron fluxes in the Earth's magnetotail and establish (using datasets mainly obtained by the Geotail Energetic Particles and Ion Composition (EPIC/ICS instrument that it actually provides strong evidence for a purely spatial structure. Each bi-layer event is composed of two distinct layers with counterstreaming energetic electron fluxes, parallel and antiparallel to the local ambient magnetic field lines; in particular, the tailward directed fluxes always occur in a region adjacent to the lobes. Adopting the X-line as a standard reconnection model, we determine the occurrence of bi-layer events relatively to the neutral point, in the substorm frame; four (out of the shown seven events are observed earthward and three tailward, a result implying that four events probably occurred with the substorm's local recovery phase. We discuss the bi-layer events in terms of the X-line model; they add more constraints for any candidate electron acceleration mechanism. It should be stressed that until this time, none proposed electron acceleration mechanism has discussed or predicted these layered structures with all their properties. Then we discuss the bi-layer events in terms of the much promising "akis model", as introduced by Sarafopoulos (2008. The akis magnetic field topology is embedded in a thinned plasma sheet and is potentially causing charge separation. We assume that as the Rc curvature radius of the magnetic field line tends to become equal to the ion gyroradius rg, then the ions become non-adiabatic. At the limit Rc=rg the demagnetization process is also under way and the frozen-in magnetic field condition is violated by strong wave turbulence; hence, the ion particles in this geometry are stochastically scattered. In addition, ion diffusion probably takes place across the magnetic field, since an

  7. The ring structure and organization of light harvesting 2 complexes in a reconstituted lipid bilayer, resolved by atomic force microscopy.

    Science.gov (United States)

    Stamouli, Amalia; Kafi, Sidig; Klein, Dionne C G; Oosterkamp, Tjerk H; Frenken, Joost W M; Cogdell, Richard J; Aartsma, Thijs J

    2003-04-01

    The main function of the transmembrane light-harvesting complexes in photosynthetic organisms is the absorption of a light quantum and its subsequent rapid transfer to a reaction center where a charge separation occurs. A combination of freeze-thaw and dialysis methods were used to reconstitute the detergent-solubilized Light Harvesting 2 complex (LH2) of the purple bacterium Rhodopseudomonas acidophila strain 10050 into preformed egg phosphatidylcholine liposomes, without the need for extra chemical agents. The LH2-containing liposomes opened up to a flat bilayer, which were imaged with tapping and contact mode atomic force microscopy under ambient and physiological conditions, respectively. The LH2 complexes were packed in quasicrystalline domains. The endoplasmic and periplasmic sides of the LH2 complexes could be distinguished by the difference in height of the protrusions from the lipid bilayer. The results indicate that the complexes entered in intact liposomes. In addition, it was observed that the most hydrophilic side, the periplasmic, enters first in the membrane. In contact mode the molecular structure of the periplasmic side of the transmembrane pigment-protein complex was observed. Using Föster's theory for describing the distance dependent energy transfer, we estimate the dipole strength for energy transfer between two neighboring LH2s, based on the architecture of the imaged unit cell.

  8. Data supporting beta-amyloid dimer structural transitions and protein–lipid interactions on asymmetric lipid bilayer surfaces using MD simulations on experimentally derived NMR protein structures

    Directory of Open Access Journals (Sweden)

    Sara Y. Cheng

    2016-06-01

    Full Text Available This data article supports the research article entitled “Maximally Asymmetric Transbilayer Distribution of Anionic Lipids Alters the Structure and interaction with Lipids of an Amyloidogenic Protein Dimer Bound to the Membrane Surface” [1]. We describe supporting data on the binding kinetics, time evolution of secondary structure, and residue-contact maps of a surface-absorbed beta-amyloid dimer protein on different membrane surfaces. We further demonstrate the sorting of annular and non-annular regions of the protein/lipid bilayer simulation systems, and the correlation of lipid-number mismatch and surface area per lipid mismatch of asymmetric lipid membranes.

  9. Influence of an Fe cap layer on the structural and magnetic properties of Fe49Pt51/Fe bi-layers

    International Nuclear Information System (INIS)

    Chao-Yang, Duan; Bin, Ma; Zong-Zhi, Zhang; Qing-Yuan, Jin; Fu-Lin, Wei

    2009-01-01

    The influences of an Fe cap layer on the structural and magnetic properties of FePt/Fe bi-layers are investigated. Compared with single FePt alloy films, a thin Fe layer can affect the crystalline orientation and improve the chemical ordering of L1 0 FePt films. Moreover, the coercivity increases when a thin Fe layer covers the FePt layer. Beyond a critical thickness, however, the Fe cover layer quickens the magnetization reversal of Fe 49 Pt 51 /Fe bi-layers by their exchange coupling

  10. Proton and carbon-13 nuclear magnetic resonance studies of the effects of retinal on the dynamic structure and stability of lipid bilayer

    International Nuclear Information System (INIS)

    Inoue, Yoshio; Hanafusa, Yoshito; Toda, Masakazu; Chujo, Riichiro

    1982-01-01

    The effects of retinal and vitamin A on the dynamic structure and stability of hen egg yolk lecithin bilayers have been studied by means of carbon-13 and proton NMR spectroscopies. 13 C spin-lattice relaxation and paramagnetic ion permeability studies on lecithin bilayers indicate a marked decrease in flexibility of the lipid acyl chain and a breakdown of membrane impermeableness to ion by the intercalated all-trans- and 11-cis-retinal, whereas the effect of incorporated vitamin A on the fluidity of bilayers is small and its impermeableness to ion remains effective even in the presence of higher concentration of vitamin A. The experimental results are discussed in connection with the mechanism of the permeability change in photoreceptive disk membrane. (author)

  11. Inter-Layer Energy Transfer through Wetting-Layer States in Bi-layer InGaAs/GaAs Quantum-Dot Structures with Thick Barriers

    DEFF Research Database (Denmark)

    Xu, Zhang-Cheng; Zhang, Ya-Ting; Hvam, Jørn Märcher

    2009-01-01

    The inter-layer energy transfer in a bi-layer InGaAs/GaAs quantum dot structure with a thick GaAs barrier is studied using temperature-dependent photoluminescence. The abnormal enhancement of the photoluminescence of the QDs in the layer with a larger amount of coverage at 110K is observed, which...

  12. Enhanced resistive switching and multilevel behavior in bilayered HfAlO/HfAlO{sub x} structures for non-volatile memory applications

    Energy Technology Data Exchange (ETDEWEB)

    Faita, F. L., E-mail: fabriciofaita@gmail.com [Centre of Physics, University of Minho, Campus de Gualtar, 4710-057 Braga (Portugal); Departamento de Física, Universidade Federal de Santa Catarina, Campus Trindade, 88040-900 Florianópolis, SC (Brazil); Silva, J. P. B., E-mail: josesilva@fisica.uminho.pt [Centre of Physics, University of Minho, Campus de Gualtar, 4710-057 Braga (Portugal); IFIMUP and IN-Institute of Nanoscience and Nanotechnology, Departamento de Física e Astronomia, Faculdade de Ciências da Universidade do Porto, 4169-007 Porto (Portugal); Pereira, M.; Gomes, M. J. M. [Centre of Physics, University of Minho, Campus de Gualtar, 4710-057 Braga (Portugal)

    2015-12-14

    In this work, hafnium aluminum oxide (HfAlO) thin films were deposited by ion beam sputtering deposition technique on Si substrate. The presence of oxygen vacancies in the HfAlO{sub x} layer deposited in oxygen deficient environment is evidenced from the photoluminescence spectra. Furthermore, HfAlO(oxygen rich)/HfAlO{sub x}(oxygen poor) bilayer structures exhibit multilevel resistive switching (RS), and the switching ratio becomes more prominent with increasing the HfAlO layer thickness. The bilayer structure with HfAlO/HfAlO{sub x} thickness of 30/40 nm displays the enhanced multilevel resistive switching characteristics, where the high resistance state/intermediate resistance state (IRS) and IRS/low resistance state resistance ratios are ≈10{sup 2} and ≈5 × 10{sup 5}, respectively. The switching mechanisms in the bilayer structures were investigated by the temperature dependence of the three resistance states. This study revealed that the multilevel RS is attributed to the coupling of ionic conduction and the metallic conduction, being the first associated to the formation and rupture of conductive filaments related to oxygen vacancies and the second with the formation of a metallic filament. Moreover, the bilayer structures exhibit good endurance and stability in time.

  13. Structure of the antimicrobial beta-hairpin peptide protegrin-1 in a DLPC lipid bilayer investigated by molecular dynamics simulation

    DEFF Research Database (Denmark)

    Khandelia, Himanshu; Kaznessis, Yiannis N

    2007-01-01

    -550]), and to delineate specific peptide-membrane interactions which are responsible for the peptide's membrane binding properties. A novel, previously unknown, "kick" shaped conformation of the peptide was detected, where a bend at the C-terminal beta-strand of the peptide caused the peptide backbone at residues 16...... different initial orientations of the peptide converged to the same final equilibrium orientation of the peptide relative to the bilayer. The kick-shaped conformation was observed only in one of the two simulations....... of the peptide in a membrane environment (previously solved only in solution [R.L. Fahrner, T. Dieckmann, S.S.L. Harwig, R.I. Lehrer, D. Eisenberg, J. Feigon, Solution structure of protegrin-1, a broad-spectrum antimicrobial peptide from porcine leukocytes. Chemistry and Biology, 3 (1996) 543...

  14. Suppression of photo-bias induced instability for amorphous indium tungsten oxide thin film transistors with bi-layer structure

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Po-Tsun, E-mail: ptliu@mail.nctu.edu.tw; Chang, Chih-Hsiang; Chang, Chih-Jui [Department of Photonics and Institute of Electro-Optical Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan (China)

    2016-06-27

    This study investigates the instability induced by bias temperature illumination stress (NBTIS) for an amorphous indium-tungsten-oxide thin film transistor (a-IWO TFT) with SiO{sub 2} backchannel passivation layer (BPL). It is found that this electrical degradation phenomenon can be attributed to the generation of defect states during the BPL process, which deteriorates the photo-bias stability of a-IWO TFTs. A method proposed by adding an oxygen-rich a-IWO thin film upon the a-IWO active channel layer could effectively suppress the plasma damage to channel layer during BPL deposition process. The bi-layer a-IWO TFT structure with an oxygen-rich back channel exhibits superior electrical reliability of device under NBTIS.

  15. Membranes linked by trans-SNARE complexes require lipids prone to non-bilayer structure for progression to fusion.

    Science.gov (United States)

    Zick, Michael; Stroupe, Christopher; Orr, Amy; Douville, Deborah; Wickner, William T

    2014-01-01

    Like other intracellular fusion events, the homotypic fusion of yeast vacuoles requires a Rab GTPase, a large Rab effector complex, SNARE proteins which can form a 4-helical bundle, and the SNARE disassembly chaperones Sec17p and Sec18p. In addition to these proteins, specific vacuole lipids are required for efficient fusion in vivo and with the purified organelle. Reconstitution of vacuole fusion with all purified components reveals that high SNARE levels can mask the requirement for a complex mixture of vacuole lipids. At lower, more physiological SNARE levels, neutral lipids with small headgroups that tend to form non-bilayer structures (phosphatidylethanolamine, diacylglycerol, and ergosterol) are essential. Membranes without these three lipids can dock and complete trans-SNARE pairing but cannot rearrange their lipids for fusion. DOI: http://dx.doi.org/10.7554/eLife.01879.001.

  16. A multi-electrode and pre-deformed bilayer spring structure electrostatic attractive MEMS actuator with large stroke at low actuation voltage

    International Nuclear Information System (INIS)

    Hu, Fangrong; Li, Zhi; Xiong, Xianming; Niu, Junhao; Peng, Zhiyong; Qian, Yixian; Yao, Jun

    2012-01-01

    This paper presents a multi-electrode and pre-deformed bilayer spring structure electrostatic attractive microelectromechanical systems (MEMS) actuator; it has large stroke at relatively low actuation voltage. Generally, electrostatic-attractive-force-based actuators have small stroke due to the instability resulted from the electrostatic ‘pull-in’ phenomenon. However, in many applications, the electrostatic micro-actuator with large stroke at low voltage is more preferred. By introducing a multi-electrode and a pre-deformed bilayer spring structure, an electrostatic attractive MEMS actuator with large stroke at very low actuation voltage has been successfully demonstrated in this paper. The actuator contains a central plate with a size of 300 µm × 300 µm × 1.5 µm and it is supported by four L-shaped bilayer springs which are pre-deformed due to residual stresses. Each bilayer spring is simultaneously attracted by three adjacent fixed electrodes, and the factors affecting the electrostatic attractive force are analyzed by a finite element analysis method. The prototype of the actuator is fabricated by poly-multi-user-MEMS-process (PolyMUMP) and the static performance is tested using a white light interferometer. The measured stroke of the actuator reaches 2 µm at 13 V dc, and it shows a good agreement with the simulation. (paper)

  17. Small-angle neutron scattering from multilamellar lipid bilayers: Theory, model, and experiment

    DEFF Research Database (Denmark)

    Lemmich, Jesper; Mortensen, Kell; Ipsen, John Hjorth

    1996-01-01

    Small-angle neutron scattering data obtained from fully hydrated, multilamellar phospholipid bilayers with deuterated acyl chains of different length are presented and analyzed within a paracrystalline theory and a geometric model that permit the bilayer structure to be determined under conditions...... of temperature for the lamellar repeat distance, the hydrophobic bilayer thickness, as well as the thickness of the aqueous and polar head group region. In addition to these geometric parameters the analysis permits determination of molecular cross-sectional area, number of interlamellar water molecules, as well...

  18. Optical and Structural Characterization of ZnO/TiO2 Bilayer Thin Films Grown by Sol-Gel Spin Coating

    Science.gov (United States)

    Gareso, P. L.; Musfitasari; Juarlin, Eko

    2018-03-01

    Structural and optical properties of ZnO/TiO2 bilayers thin films have been investigated using x-ray diffraction (X-RD), scanning electron microscopy (SEM), and optical transmittance UV-Vis measurements. ZnO thin films were prepared by dissolving zinc acetate dehydrated into a solvent of ethanol and then added triethanolamin. In the case of TiO2 layers, tetraisoproxide was dissolved into ethanol and then added an acetate acid. The layer of ZnO was deposited first followed by TiO2 layer on a glass substrate using a spin coating technique. The ZnO/TiO2 bilayers were annealed at various temperatures from 300°C until 600°C for 60 minutes. The X-ray diffraction results show that there was an enhancement of the x-ray spectra as annealed temperature increased to 600°C in comparison to the samples that were annealed at 300°C. Based on the optical measurement of UV-Vis, the band gap energy of ZnO/TiO2 bilayer is around 3.2 eV at temperature of 300°C. This value is similar to the band gap energy of ZnO. SEM results show that there is no cluster in the surface of ZnO/TiO2 bilayer.

  19. Effect of Membrane Tension on the Electric Field and Dipole Potential of Lipid Bilayer Membrane

    Science.gov (United States)

    Warshaviak, Dora Toledo; Muellner, Michael J.; Chachisvilis, Mirianas

    2011-01-01

    The dipole potential of lipid bilayer membrane controls the difference in permeability of the membrane to oppositely charged ions. We have combined molecular dynamics (MD) simulations and experimental studies to determine changes in electric field and electrostatic potential of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) lipid bilayer in response to applied membrane tension. MD simulations based on CHARMM36 force field showed that electrostatic potential of DOPC bilayer decreases by ~45 mV in the physiologically relevant range of membrane tension values (0 to 15 dyn/cm). The electrostatic field exhibits a peak (~0.8×109 V/m) near the water/lipid interface which shifts by 0.9 Å towards the bilayer center at 15 dyn/cm. Maximum membrane tension of 15 dyn/cm caused 6.4% increase in area per lipid, 4.7% decrease in bilayer thickness and 1.4% increase in the volume of the bilayer. Dipole-potential sensitive fluorescent probes were used to detect membrane tension induced changes in DOPC vesicles exposed to osmotic stress. Experiments confirmed that dipole potential of DOPC bilayer decreases at higher membrane tensions. These results are suggestive of a potentially new mechanosensing mechanism by which mechanically induced structural changes in the lipid bilayer membrane could modulate the function of membrane proteins by altering electrostatic interactions and energetics of protein conformational states. PMID:21722624

  20. Molecular Dynamics Simulations of Hydrophilic Pores in Lipid Bilayers

    NARCIS (Netherlands)

    Leontiadou, Hari; Mark, Alan E.; Marrink, Siewert J.

    Hydrophilic pores are formed in peptide free lipid bilayers under mechanical stress. It has been proposed that the transport of ionic species across such membranes is largely determined by the existence of such meta-stable hydrophilic pores. To study the properties of these structures and understand

  1. Study of the influence of semiconductor material parameters on acoustic wave propagation modes in GaSb/AlSb bi-layered structures by Legendre polynomial method

    Energy Technology Data Exchange (ETDEWEB)

    Othmani, Cherif, E-mail: othmanicheriffss@gmail.com; Takali, Farid; Njeh, Anouar; Ben Ghozlen, Mohamed Hédi

    2016-09-01

    The propagation of Rayleigh–Lamb waves in bi-layered structures is studied. For this purpose, an extension of the Legendre polynomial (LP) method is proposed to formulate the acoustic wave equation in the bi-layered structures induced by thin film Gallium Antimonide (GaSb) and with Aluminum Antimonide (AlSb) substrate in moderate thickness. Acoustic modes propagating along a bi-layer plate are shown to be quite different than classical Lamb modes, contrary to most of the multilayered structures. The validation of the LP method is illustrated by a comparison between the associated numerical results and those obtained using the ordinary differential equation (ODE) method. The convergency of the LP method is discussed through a numerical example. Moreover, the influences of thin film GaSb parameters on the characteristics Rayleigh–Lamb waves propagation has been studied in detail. Finally, the advantages of the Legendre polynomial (LP) method to analyze the multilayered structures are described. All the developments performed in this work were implemented in Matlab software.

  2. Study of the influence of semiconductor material parameters on acoustic wave propagation modes in GaSb/AlSb bi-layered structures by Legendre polynomial method

    International Nuclear Information System (INIS)

    Othmani, Cherif; Takali, Farid; Njeh, Anouar; Ben Ghozlen, Mohamed Hédi

    2016-01-01

    The propagation of Rayleigh–Lamb waves in bi-layered structures is studied. For this purpose, an extension of the Legendre polynomial (LP) method is proposed to formulate the acoustic wave equation in the bi-layered structures induced by thin film Gallium Antimonide (GaSb) and with Aluminum Antimonide (AlSb) substrate in moderate thickness. Acoustic modes propagating along a bi-layer plate are shown to be quite different than classical Lamb modes, contrary to most of the multilayered structures. The validation of the LP method is illustrated by a comparison between the associated numerical results and those obtained using the ordinary differential equation (ODE) method. The convergency of the LP method is discussed through a numerical example. Moreover, the influences of thin film GaSb parameters on the characteristics Rayleigh–Lamb waves propagation has been studied in detail. Finally, the advantages of the Legendre polynomial (LP) method to analyze the multilayered structures are described. All the developments performed in this work were implemented in Matlab software.

  3. Specific Binding of Adamantane Drugs and Direction of their Polar Amines in the Pore of the Influenza M2 Transmembrane Domain in Lipid Bilayers and Dodecylphosphocholine Micelles Determined by NMR Spectroscopy

    Science.gov (United States)

    Cady, Sarah D.; Wang, Jun; Wu, Yibing; DeGrado, William F.; Hong, Mei

    2011-01-01

    The transmembrane domain of the influenza M2 protein (M2TM) forms a tetrameric proton channel important for the virus lifecycle. The proton-channel activity is inhibited by amine-containing adamantyl drugs amantadine and rimantadine, which have been shown to bind specifically to the pore of M2TM near Ser31. However, whether the polar amine points to the N- or C-terminus of the channel has not yet been determined. Elucidating the polar group direction will shed light on the mechanism by which drug binding inhibits this proton channel and will facilitate rational design of new inhibitors. In this study, we determine the polar amine direction using M2TM reconstituted in lipid bilayers as well as DPC micelles. 13C-2H rotational-echo double-resonance NMR experiments of 13C-labeled M2TM and methyl-deuterated rimantadine in lipid bilayers showed that the polar amine pointed to the C-terminus of the channel, with the methyl group close to Gly34. Solution NMR experiments of M2TM in dodecylphosphocholine (DPC) micelles indicate that drug binding causes significant chemical shift perturbations of the protein that are very similar to those seen for M2TM and M2(18–60) bound to lipid bilayers. Specific 2H-labeling of the drugs permitted the assignment of drug-protein cross peaks, which indicate that amantadine and rimantadine bind to the pore in the same fashion as for bilayer-bound M2TM. These results strongly suggest that adamantyl inhibition of M2TM is achieved not only by direct physical occlusion of the pore but also by perturbing the equilibrium constant of the proton-sensing residue His37. The reproduction of the pharmacologically relevant specific pore-binding site in DPC micelles, which was not observed with a different detergent, DHPC, underscores the significant influence of the detergent environment on the functional structure of membrane proteins. PMID:21381693

  4. Annealing effect on the structural, morphological and electrical properties of TiO2/ZnO bilayer thin films

    Science.gov (United States)

    Khan, M. I.; Imran, S.; Shahnawaz; Saleem, Muhammad; Ur Rehman, Saif

    2018-03-01

    The effect of annealing temperature on the structural, morphological and electrical properties of TiO2/ZnO (TZ) thin films has been observed. Bilayer thin films of TiO2/ZnO are deposited on FTO glass substrate by spray pyrolysis method. After deposition, these films are annealed at 573 K, 723 K and 873 K. XRD shows that TiO2 is present in anatase phase only and ZnO is present in hexagonal phase. No other phases of TiO2 and ZnO are present. Also, there is no evidence of other compounds like Zn-Ti etc. It also shows that the average grain size of TiO2/ZnO films is increased by increasing annealing temperature. AFM (Atomic force microscope) showed that the average roughness of TiO2/ZnO films is decreased at temperature 573-723 K and then increased at 873 K. The calculated average sheet resistivity of thin films annealed at 573 K, 723 K and 873 K is 152.28 × 102, 75.29 × 102 and 63.34 × 102 ohm-m respectively. This decrease in sheet resistivity might be due to the increment of electron concentration with increasing thickness and the temperature of thin films.

  5. An Investigation on bilayer structures of electrospun polyacrylonitrile nanofibrous membrane and cellulose membrane used as filtration media for apple juice clarification

    Science.gov (United States)

    Sawitri, Asti; Miftahul Munir, Muhammad; Edikresnha, Dhewa; Sandi, Ahzab; Fauzi, Ahmad; Rajak, Abdul; Natalia, Dessy; Khairurrijal, Khairurrijal

    2018-05-01

    Nanofibrous membrane has a potential to use in filtration technology with electrospinning as one of the techniques used in synthesizing nanofibers. Polyacrylonitrile (PAN) nanofibrous membranes with various fibers diameters were electrospun by varying its precursor solution concentration. The average fibers diameters of the PAN nanofibrous membranes obtained from the precursor solution concentrations of 6, 9, 12, and 14 wt% were 341, 534, 1274, and 2107 nm, respectively. Filtration media for apple juice clarification were bilayer-structured membranes made of PAN nanofibrous membranes on commercial cellulose microfibrous membranes. It has been shown that the reduction of apple juice color or turbidity performed by the cellulose microfibrous membrane was well enhanced by the presence of the PAN nanofibrous membrane in the bilayer-structured membrane. In addition, the apple-juice color and turbidity reductions increased with decreasing the average fibers diameter of the PAN nanofibrous membrane. Furthermore, the PAN nanofibrous membrane also helped the cellulose microfibrous membrane in the bilayer-structured membrane enhance the reductions of total phenols, protein, and glucose of the apple juice.

  6. Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.

    Science.gov (United States)

    Hu, Yuan; Sinha, Sudipta Kumar; Patel, Sandeep

    2014-10-16

    Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide-water and peptide-membrane interactions allow prediction of free energy minima at the bilayer-water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are -2.51, -4.28, and -5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are -0.83, -3.33, and -3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of

  7. The influence of oscillating electromagnetic fields on membrane structure and function: Synthetic liposome and natural membrane bilayer systems with direct application to the controlled delivery of chemical agents

    International Nuclear Information System (INIS)

    Liburdy, R.P.; de Manincor, D.; Fingado, B.

    1989-09-01

    Investigations have been conducted to determine if an imposed electromagnetic field can influence membrane transport, and ion and drug permeability in both synthetic and natural cell membrane systems. Microwave fields enhance accumulation of sodium in the lymphocyte and induce protein shedding at Tc. Microwaves also trigger membrane permeability of liposome systems under specific field exposure conditions. Sensitivity varies in a defined way in bilayers displaying a membrane structural phase transition temperature, Tc; maximal release was observed at or near Tc. Significantly, liposome systems without a membrane phase transition were also found to experience permeability increases but, in contrast, this response was temperature independent. The above results indicate that field-enhanced drug release occurs in liposome vesicles that possess a Tc as well as non-Tc liposomes. Additional studies extend non-Tc liposome responses to the in vivo case in which microwaves trigger Gentamicin release from a liposome ''depot'' placed subcutaneously in the rat hind leg. In addition, evidence is provided that cell surface sequestered liposomes can be triggered by microwave fields to release drugs directly into target cells. 24 refs., 6 figs

  8. In-volume structuring of a bilayered polymer foil using direct laser interference patterning

    Science.gov (United States)

    Rößler, Florian; Günther, Katja; Lasagni, Andrés F.

    2018-05-01

    Periodic surface patterns can provide materials with special optical properties, which are usable in decorative or security applications. However, they can be sensitive to contact wear and thus their lifetime and functionality are limited. This study describes the use of direct laser interference patterning for structuring a multilayered polymer film at its interface creating periodic in-volume structures which are resistant to contact wear. The spatial period of the structures are varied in the range of 1.0 μm to 2.0 μm in order to produce decorative elements. The pattern formation at the interface is explained using cross sectional observations and a thermal simulation of the temperature evolution during the laser treatment at the interface. Both, the diffraction efficiency and direct transmission are characterized by light intensity measurements to describe the optical behavior of the produced periodic structures and a decorative application example is presented.

  9. Study of structure of the TiO{sub 2}–MoO{sub 3} bilayer films by Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Elias de Barros; Sigoli, Fernando Aparecido; Mazali, Italo Odone, E-mail: mazali@iqm.unicamp.br

    2014-12-15

    Highlights: • TiO{sub 2}–MoO{sub 3} bilayer thin films were easily prepared by dip-coating technique. • Ti and Mo metallo-organic compounds were used as source of its respective oxide. • TiO{sub 2} in anatase phase and orthorhombic phase of α-MoO{sub 3} were identified. • The bilayer structure was investigated by Raman spectroscopy. - Abstract: In this work, TiO{sub 2}–MoO{sub 3} films were easily prepared by dip-coating technique and metallo-organic decomposition process (MOD). Raman analyses indicate the formation of TiO{sub 2} in anatase phase and orthorhombic phase of α-MoO{sub 3}. It was observed that the Raman bands intensities attributed to TiO{sub 2} and MoO{sub 3} oxides were dependent on the number of decomposition–deposition cycles (DDC). The different number of DDC generates films with different thicknesses and the Raman signal was sensitive to this variation. Raman analyses provided qualitative information about the bilayer structure of the bi-component TiO{sub 2}–MoO{sub 3} films, which was confirmed by scanning electron microscopy. In this direction, the dip-coating technique and MOD process can be an efficient strategy to facile preparation of many samples to be used in applications.

  10. Lamellar-lamellar phase separation of phospholipid bilayers induced by salting-in/-out effects

    Energy Technology Data Exchange (ETDEWEB)

    Hishida, Mafumi [Institute for Integrated Cell-Material Sciences, Kyoto University, Kyoto 606-8501 (Japan); Seto, Hideki, E-mail: hideki.seto@kek.jp [KENS and CMRC, Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba 305-0801 (Japan)

    2011-01-01

    The multilamellar structure of phospholipid bilayers is stabilized by the interactions between bilayers. Although the lamellar repeat distance is uniquely determined at the balance point of interactions between bilayers, a lamellar-lamellar phase separation, where the two phases with different lamellar repeat distance coexist, has been reported in a case of adding a salt to the aqueous solution of lipids. In order to understand the physical mechanism of the lamellar-lamellar phase separation, the effects of adding monovalent salt on the lamellar structure are studied by visual observation and by small-angle X-ray scattering. Further, a theoretical model based on the mean field theory is introduced and it is concluded that the salting-in and -out effects of lipid bilayers trigger the lamellar-lamellar phase separation.

  11. Crystal structure determination of Efavirenz

    International Nuclear Information System (INIS)

    Popeneciu, Horea; Dumitru, Ristoiu; Tripon, Carmen; Borodi, Gheorghe; Pop, Mihaela Maria

    2015-01-01

    Needle-shaped single crystals of the title compound, C 14 H 9 ClF 3 NO 2 , were obtained from a co-crystallization experiment of Efavirenz with maleic acid in a (1:1) ratio, using methanol as solvent. Crystal structure determination at room temperature revealed a significant anisotropy of the lattice expansion compared to the previously reported low-temperature structure. In both low- and room temperature structures the cyclopropylethynyl fragment in one of the asymmetric unit molecules is disordered. While at low-temperature only one C atom exhibits positional disorder, at room temperature the disorder is present for two C atoms of the cyclopropane ring

  12. Orientation determination of interfacial beta-sheet structures in situ.

    Science.gov (United States)

    Nguyen, Khoi Tan; King, John Thomas; Chen, Zhan

    2010-07-01

    Structural information such as orientations of interfacial proteins and peptides is important for understanding properties and functions of such biological molecules, which play crucial roles in biological applications and processes such as antimicrobial selectivity, membrane protein activity, biocompatibility, and biosensing performance. The alpha-helical and beta-sheet structures are the most widely encountered secondary structures in peptides and proteins. In this paper, for the first time, a method to quantify the orientation of the interfacial beta-sheet structure using a combined attenuated total reflectance Fourier transformation infrared spectroscopic (ATR-FTIR) and sum frequency generation (SFG) vibrational spectroscopic study was developed. As an illustration of the methodology, the orientation of tachyplesin I, a 17 amino acid peptide with an antiparallel beta-sheet, adsorbed to polymer surfaces as well as associated with a lipid bilayer was determined using the regular and chiral SFG spectra, together with polarized ATR-FTIR amide I signals. Both the tilt angle (theta) and the twist angle (psi) of the beta-sheet at interfaces are determined. The developed method in this paper can be used to obtain in situ structural information of beta-sheet components in complex molecules. The combination of this method and the existing methodology that is currently used to investigate alpha-helical structures will greatly broaden the application of optical spectroscopy in physical chemistry, biochemistry, biophysics, and structural biology.

  13. Novel bilayer structure ZnO based photoanode for enhancing conversion efficiency in dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Jin [Electronic Materials Research Laboratory, School of Electronic and Information Engineering, Xi' an, Jiaotong University, Xi' an 710049, Shaanxi (China); Que Wenxiu, E-mail: wxque@mail.xjtu.edu.cn [Electronic Materials Research Laboratory, School of Electronic and Information Engineering, Xi' an, Jiaotong University, Xi' an 710049, Shaanxi (China); Jia Qiaoying; Zhong Peng; Liao Yulong [Electronic Materials Research Laboratory, School of Electronic and Information Engineering, Xi' an, Jiaotong University, Xi' an 710049, Shaanxi (China); Ye Xiangdong; Ding Yucheng [State Key Laboratory of Manufacturing Systems Engineering, Xi' an, Jiaotong University, Xi' an 710049, Shaanxi (China)

    2011-07-07

    Highlights: > The ZnO nanocrystallite aggregates on the ZnO nanowire arrays (ZnO-(NCAs/NWs)) photoanode are successfully fabricated. > Results indicate that such a configuration of the ZnO-(NCAs/NWs) photoanode can significantly improve the efficiency of the DSSC. > The electron transport properties of the DSSC based on the ZnO-(NCAs/NWs) photoanode is discussed deeply. - Abstract: ZnO film with a novel bilayer structure, which consists of ZnO nanowire (ZnO NW) arrays as underlayer and polydisperse ZnO nanocrystallite aggregates (ZnO NCAs) as overlayer, is fabricated and studied as dye-sensitized solar-cell (DSSC) photoanode. Results indicate that such a configuration of the ZnO nanocrystallite aggregates on the ZnO nanowire arrays (ZnO-(NCAs/NWs)) can significantly improve the efficiency of the DSSC due to its fast electron transport, relatively high surface area and enhanced light-scattering capability. The short-circuit current density (J{sub sc}) and the energy-conversion efficiency ({eta}) of the DSSC based on the ZnO-(NCAs/NWs) photoanode are estimated and the values are 9.19 mA cm{sup -2} and 3.02%, respectively, which are much better than those of the cells formed only by the ZnO NWs (J{sub sc} = 4.02 mA cm{sup -2}, {eta} = 1.04%) or the ZnO NCAs (J{sub sc} = 7.14 mA cm{sup -2}, {eta} = 2.56%) photoanode. Moreover, the electron transport properties of the DSSC based on the ZnO-(NCAs/NWs) photoanode are also discussed.

  14. Finite-size effects on electronic structure and local properties in passivated AA -stacked bilayer armchair-edge graphene nanoribbons

    International Nuclear Information System (INIS)

    Chen, Xiongwen; Shi, Zhengang; Xiang, Shaohua; Song, Kehui; Zhou, Guanghui

    2017-01-01

    Based on the tight-binding model and dual-probe scanning tunneling microscopy technology, we theoretically investigate the electronic structure and local property in the passivated AA -stacked bilayer armchair-edge graphene nanoribbons (AABLAGNRs). We show that they are highly sensitive to the size of the ribbons, which is evidently different from the single-layer armchair-edge graphene nanoribbons. The ‘3 p ’ rule only applies to the narrow AABLGNRs. Namely, in the passivated 3 p - and (3 p   +  1)-AABLGNRs, the narrow ribbons are semiconducting while the medium and wide ribbons are metallic. Although the passivated (3 p   +  2)-AABLGNRs are metallic, the ‘3 j ’ rule only applies to the narrow and medium ribbons. Namely, electrons are in the semiconducting states at sites of line 3 j while they are in the metallic states at other sites. This induces a series of parallel and discrete metallic channels, consisting of lines 3 j   −  1 and 3 j   −  2, for the low-energy electronic transports. In the passivated wide (3 p   +  2)-AABLGNRs, all electrons are in the metallic states. Additionally, the ‘3 p ’ and ‘3 j ’ rules are controllable to disappear and reappear by applying an external perpendicular electric field. Resultantly, an electric filed-driven current switch can be realized in the passivated narrow and medium (3 p   +  2)-AABLGNRs. (paper)

  15. Effects of annealing time on the structure, morphology, and stress of gold–chromium bilayer film

    International Nuclear Information System (INIS)

    Zhang Hong; Wang Hu; Huang Hao-Peng; Jin Yun-Xia; Kong Fang-Yu; Cui Yun

    2016-01-01

    In this work, a 200-nm-thick gold film with a 10-nm-thick chromium layer used as an adhesive layer is fabricated on fused silica by the electron beam evaporation method. The effects of annealing time at 300 °C on the structure, morphology and stress of the film are studied. We find that chromium could diffuse to the surface of the film by formatting a solid solution with gold during annealing. Meanwhile, chromium is oxidized on the surface and diffused downward along the grain grooves in the gold film. The various operant mechanisms that change the residual stresses of gold films for different annealing times are discussed. (paper)

  16. Structural determination of organic compounds

    International Nuclear Information System (INIS)

    Kintzinger, J.P.

    1991-01-01

    This paper reports that the current methods available in high-field NMR spectroscopy are such that the tridimensional structure determination of any rigid molecule containing only carbon and hydrogen atoms may be achieved. The connectivities between carbon-carbon, carbon-hydrogen, and hydrogen-hydrogen atoms are determined by multipulse and two-dimensional (2D) experiments. These connectivity patterns or maps allow a step-by-step reconstruction of the molecular structures. From the carbon-carbon connectivity map, the carbon framework of the molecule is obtained, whereas the carbon-hydrogen pattern allows determination of the positions of the hydrogen atoms on their corresponding carbon atoms. High-field spectrometers are then necessary to remove fortuitous degeneracy and to reduce the proton spectra to a nearly first-order one, allowing an easy measurement of the chemical shifts and the coupling constants

  17. An electrochemical investigation on the dissolution of bilayered porous anodic alumina

    International Nuclear Information System (INIS)

    Liao, Jinfu; Ling, Zhiyuan; Li, Yi; Hu, Xing

    2015-01-01

    Highlights: • Pulse polarization was introduced to investigate the dissolution of PAA. • Electric field within the bilayers was estimated. • The formation of the barrier layer involves mainly solid-state processes. • The structure should be the determining factor in the dissolution of the bilayers. - Abstract: Anodic alumina attracts much research interest in many disciplines for its versatility. Meanwhile, some aspects regarding its growth are still not well-understood, such as the formation and properties of its bilayer structure. In this paper, along with capacitance measurement, pulse polarization is introduced to study the dissolution of bilayered porous anodic alumina (PAA). Combined with electron microscope observation, the electric field in the outer layer is estimated to be slightly higher than that in the inner layer. By comparing with (oxy-)hydroxide layers, the electric field distribution within barrier layer of PAA confirms that the bilayers are compact and are formed mainly by solid-state ionic migration. The changes of dissolution rates after annealing and application of electric pulses suggest that structure may be a determining factor for the dissolution behaviors of the bilayers.

  18. Compositional and structural characterization of monolayers and bilayers composed of native pulmonary surfactant from wild type mice

    DEFF Research Database (Denmark)

    Bernardino de la Serna, Jorge; Hansen, Soren; Berzina, Zane

    2013-01-01

    spectrometry experiments were also performed in order to obtain relevant information on the lipid composition of this material. Bilayers composed of mice pulmonary surfactant showed coexistence of distinct domains at room temperature, with morphologies and lateral packing resembling the coexistence of liquid...

  19. Laterally structured ripple and square phases with one and two dimensional thickness modulations in a model bilayer system.

    Science.gov (United States)

    Debnath, Ananya; Thakkar, Foram M; Maiti, Prabal K; Kumaran, V; Ayappa, K G

    2014-10-14

    Molecular dynamics simulations of bilayers in a surfactant/co-surfactant/water system with explicit solvent molecules show formation of topologically distinct gel phases depending upon the bilayer composition. At low temperatures, the bilayers transform from the tilted gel phase, Lβ', to the one dimensional (1D) rippled, Pβ' phase as the surfactant concentration is increased. More interestingly, we observe a two dimensional (2D) square phase at higher surfactant concentration which, upon heating, transforms to the gel Lβ' phase. The thickness modulations in the 1D rippled and square phases are asymmetric in two surfactant leaflets and the bilayer thickness varies by a factor of ∼2 between maximum and minimum. The 1D ripple consists of a thinner interdigitated region of smaller extent alternating with a thicker non-interdigitated region. The 2D ripple phase is made up of two superimposed square lattices of maximum and minimum thicknesses with molecules of high tilt forming a square lattice translated from the lattice formed with the thickness minima. Using Voronoi diagrams we analyze the intricate interplay between the area-per-head-group, height modulations and chain tilt for the different ripple symmetries. Our simulations indicate that composition plays an important role in controlling the formation of low temperature gel phase symmetries and rippling accommodates the increased area-per-head-group of the surfactant molecules.

  20. Effect of biocompatible polymers on the structural integrity of lipid bilayers under external stimuli

    Science.gov (United States)

    Wang, Jia-Yu; Kausik, Ravinath; Chen, Chi-Yuan; Han, Song-I.; Marks, Jeremy; Lee, Ka Yee

    2010-03-01

    Cell membrane dysfunction due to loss of structural integrity is the pathology of tissue death in trauma and common diseases. It is now established that certain biocompatible polymers, such as Poloxamer 188, Poloxamine 1107 and polyethylene glycol (PEG), are effective in sealing of injured cell membranes, and able to prevent acute necrosis. Despite these broad applications of these polymers for human health, the fundamental mechanisms by which these polymers interact with cell membranes are still under debate. Here, the effects of a group of biocompatible polymers on phospholipid membrane integrity under osmotic and oxidative stress were explored using giant unilamellar vesicles as model cell membranes. Our results suggest that the adsorption of the polymers on the membrane surface is responsible for the cell membrane resealing process due to its capability of slowing down the surface hydration dynamics.

  1. The structural role of cholesterol in cell membranes: from condensed bilayers to lipid rafts.

    Science.gov (United States)

    Krause, Martin R; Regen, Steven L

    2014-12-16

    CONSPECTUS: Defining the two-dimensional structure of cell membranes represents one of the most daunting challenges currently facing chemists, biochemists, and biophysicists. In particular, the time-averaged lateral organization of the lipids and proteins that make up these natural enclosures has yet to be established. As the classic Singer-Nicolson model of cell membranes has evolved over the past 40 years, special attention has focused on the structural role played by cholesterol, a key component that represents ca. 30% of the total lipids that are present. Despite extensive studies with model membranes, two fundamental issues have remained a mystery: (i) the mechanism by which cholesterol condenses low-melting lipids by uncoiling their acyl chains and (ii) the thermodynamics of the interaction between cholesterol and high- and low-melting lipids. The latter bears directly on one of the most popular notions in modern cell biology, that is, the lipid raft hypothesis, whereby cholesterol is thought to combine with high-melting lipids to form "lipid rafts" that float in a "sea" of low-melting lipids. In this Account, we first describe a chemical approach that we have developed in our laboratories that has allowed us to quantify the interactions between exchangeable mimics of cholesterol and low- and high-melting lipids in model membranes. In essence, this "nearest-neighbor recognition" (NNR) method involves the synthesis of dimeric forms of these lipids that contain a disulfide moiety as a linker. By means of thiolate-disulfide interchange reactions, equilibrium mixtures of dimers are then formed. These exchange reactions are initiated either by adding dithiothreitol to a liposomal dispersion to generate a small amount of thiol monomer or by including a small amount of thiol monomer in the liposomes at pH 5.0 and then raising the pH to 7.4. We then show how such NNR measurements have allowed us to distinguish between two very different mechanisms that have been

  2. Lipid bilayers and interfaces

    NARCIS (Netherlands)

    Kik, R.A.

    2007-01-01

    In biological systems lipid bilayers are subject to many different interactions with other entities. These can range from proteins that are attached to the hydrophilic region of the bilayer or transmembrane proteins that interact with the hydrophobic region of the lipid bilayer. Interaction between

  3. Effect of interlayer tunneling on the electronic structure of bilayer cuprates and quantum phase transitions in carrier concentration and high magnetic field

    International Nuclear Information System (INIS)

    Ovchinnikov, S. G.; Makarov, I. A.; Shneyder, E. I.

    2011-01-01

    We present a theoretical study of the electronic structure of bilayer HTSC cuprates and its evolution under doping and in a high magnetic field. Analysis is based on the t-t′-t″-J* model in the generalized Hartree-Fock approximation. Possibility of tunneling between CuO2 layers is taken into account in the form of a nonzero integral of hopping between the orbitals of adjacent planes and is included in the scheme of the cluster form of perturbation theory. The main effect of the coupling between two CuO 2 layers in a unit cell is the bilayer splitting manifested in the presence of antibonding and bonding bands formed by a combination of identical bands of the layers themselves. A change in the doping level induces reconstruction of the band structure and the Fermi surface, which gives rise to a number of quantum phase transitions. A high external magnetic field leads to a fundamentally different form of electronic structure. Quantum phase transitions in the field are observed not only under doping, but also upon a variation of the field magnitude. Because of tunneling between the layers, quantum transitions are also split; as a result, a more complex sequence of the Lifshitz transitions than in single-layer structures is observed.

  4. Dual Salt- and Thermo-Responsive Programmable Bilayer Hydrogel Actuators with Pseudo-Interpenetrating Double-Network Structures.

    Science.gov (United States)

    Xiao, Shengwei; Zhang, Mingzhen; He, Xiaomin; Huang, Lei; Zhang, Yanxian; Ren, Baiping; Zhong, Mingqiang; Chang, Yung; Yang, Jintao; Zheng, Jie

    2018-06-07

    Development of smart soft actuators is highly important for fundamental research and industrial applications, but has proved to be extremely challenging. In this work, we present a facile, one-pot, one-step method to prepare dual-responsive bilayer hydrogels, consisting of a thermos-responsive poly(N-isopropyl acrylamide) (polyNIPAM) layer and a salt-responsive poly(3-(1-(4-vinylbenzyl)-1H-imidazol-3-ium-3-yl)propane-1-sulfonat) (polyVBIPS) layer. Both polyNIPAM and polyVBIPs layers exhibit a completely opposite swelling/shrinking behavior, where polyNIPAM shrinks (swells) but polyVBIPS swells (shrinks) in salt solution (water) or at high (low) temperatures. By tuning NIPAM:VBIPS ratios, the resulting polyNIPAM/polyVBIPS bilayer hydrogels enable to achieve fast and large-amplitude bidirectional bending in response to temperatures, salt concentrations, and salt types. Such bidirectional bending, bending orientation and degree can be reversibly, repeatedly, and precisely controlled by salt- or temperature-induced cooperative, swelling-shrinking properties from both layers. Based on their fast, reversible, bidirectional bending behavior, we further design two conceptual hybrid hydrogel actuators, serving as a six-arm gripper to capture, transport, and release an object and an electrical circuit switch to turn on-and-off a lamp. Different from the conventional two or multi-step methods for preparation of bilayer hydrogels, our simple, one-pot, one-step method and a new bilayer hydrogel system provide an innovative concept to explore new hydrogel-based actuators through combining different responsive materials that allow to program different stimulus for soft and intelligent materials applications.

  5. Structure determination of enterovirus 71

    Energy Technology Data Exchange (ETDEWEB)

    Plevka, Pavel; Perera, Rushika; Cardosa, Jane; Kuhn, Richard J.; Rossmann, Michael G. (Purdue); (Sentinext)

    2013-02-20

    Enterovirus 71 is a picornavirus that causes hand, foot and mouth disease but may induce fatal neurological illness in infants and young children. Enterovirus 71 crystallized in a body-centered orthorhombic space group with two particles in general orientations in the crystallographic asymmetric unit. Determination of the particle orientations required that the locked rotation function excluded the twofold symmetry axes from the set of icosahedral symmetry operators. This avoided the occurrence of misleading high rotation-function values produced by the alignment of icosahedral and crystallographic twofold axes. Once the orientations and positions of the particles had been established, the structure was solved by molecular replacement and phase extension.

  6. Alcohol's Effects on Lipid Bilayer Properties

    Science.gov (United States)

    Ingólfsson, Helgi I.; Andersen, Olaf S.

    2011-01-01

    Alcohols are known modulators of lipid bilayer properties. Their biological effects have long been attributed to their bilayer-modifying effects, but alcohols can also alter protein function through direct protein interactions. This raises the question: Do alcohol's biological actions result predominantly from direct protein-alcohol interactions or from general changes in the membrane properties? The efficacy of alcohols of various chain lengths tends to exhibit a so-called cutoff effect (i.e., increasing potency with increased chain length, which that eventually levels off). The cutoff varies depending on the assay, and numerous mechanisms have been proposed such as: limited size of the alcohol-protein interaction site, limited alcohol solubility, and a chain-length-dependent lipid bilayer-alcohol interaction. To address these issues, we determined the bilayer-modifying potency of 27 aliphatic alcohols using a gramicidin-based fluorescence assay. All of the alcohols tested (with chain lengths of 1–16 carbons) alter the bilayer properties, as sensed by a bilayer-spanning channel. The bilayer-modifying potency of the short-chain alcohols scales linearly with their bilayer partitioning; the potency tapers off at higher chain lengths, and eventually changes sign for the longest-chain alcohols, demonstrating an alcohol cutoff effect in a system that has no alcohol-binding pocket. PMID:21843475

  7. The structure of the CD3 ζζ transmembrane dimer in POPC and raft-like lipid bilayer: a molecular dynamics study.

    Science.gov (United States)

    Petruk, Ariel Alcides; Varriale, Sonia; Coscia, Maria Rosaria; Mazzarella, Lelio; Merlino, Antonello; Oreste, Umberto

    2013-11-01

    Plasma membrane lipids significantly affect assembly and activity of many signaling networks. The present work is aimed at analyzing, by molecular dynamics simulations, the structure and dynamics of the CD3 ζζ dimer in palmitoyl-oleoyl-phosphatidylcholine bilayer (POPC) and in POPC/cholesterol/sphingomyelin bilayer, which resembles the raft membrane microdomain supposed to be the site of the signal transducing machinery. Both POPC and raft-like environment produce significant alterations in structure and flexibility of the CD3 ζζ with respect to nuclear magnetic resonance (NMR) model: the dimer is more compact, its secondary structure is slightly less ordered, the arrangement of the Asp6 pair, which is important for binding to the Arg residue in the alpha chain of the T cell receptor (TCR), is stabilized by water molecules. Different interactions of charged residues with lipids at the lipid-cytoplasm boundary occur when the two environments are compared. Furthermore, in contrast to what is observed in POPC, in the raft-like environment correlated motions between transmembrane and cytoplasmic regions are observed. Altogether the data suggest that when the TCR complex resides in the raft domains, the CD3 ζζ dimer assumes a specific conformation probably necessary to the correct signal transduction. © 2013.

  8. Lipid Bilayer Formation on Organic Electronic Materials

    KAUST Repository

    Zhang, Yi; Wustoni, Shofarul; Savva, Achilleas; Giovannitti, Alexander; McCulloch, Iain; Inal, Sahika

    2018-01-01

    The lipid bilayer is the elemental structure of cell membrane, forming a stable barrier between the interior and exterior of the cell while hosting membrane proteins that enable selective transport of biologically important compounds and cellular

  9. Mixed Mechanism of Lubrication by Lipid Bilayer Stacks.

    Science.gov (United States)

    Boţan, Alexandru; Joly, Laurent; Fillot, Nicolas; Loison, Claire

    2015-11-10

    Although the key role of lipid bilayer stacks in biological lubrication is generally accepted, the mechanisms underlying their extreme efficiency remain elusive. In this article, we report molecular dynamics simulations of lipid bilayer stacks undergoing load and shear. When the hydration level is reduced, the velocity accommodation mechanism changes from viscous shear in hydration water to interlayer sliding in the bilayers. This enables stacks of hydrated lipid bilayers to act as efficient boundary lubricants for various hydration conditions, structures, and mechanical loads. We also propose an estimation for the friction coefficient; thanks to the strong hydration forces between lipid bilayers, the high local viscosity is not in contradiction with low friction coefficients.

  10. Hydrophobic silver nanoparticles trapped in lipid bilayers: Size distribution, bilayer phase behavior, and optical properties

    Directory of Open Access Journals (Sweden)

    Bothun Geoffrey D

    2008-11-01

    Full Text Available Abstract Background Lipid-based dispersion of nanoparticles provides a biologically inspired route to designing therapeutic agents and a means of reducing nanoparticle toxicity. Little is currently known on how the presence of nanoparticles influences lipid vesicle stability and bilayer phase behavior. In this work, the formation of aqueous lipid/nanoparticle assemblies (LNAs consisting of hydrophobic silver-decanethiol particles (5.7 ± 1.8 nm embedded within 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC bilayers is demonstrated as a function of the DPPC/Ag nanoparticle (AgNP ratio. The effect of nanoparticle loading on the size distribution, bilayer phase behavior, and bilayer fluidity is determined. Concomitantly, the effect of bilayer incorporation on the optical properties of the AgNPs is also examined. Results The dispersions were stable at 50°C where the bilayers existed in a liquid crystalline state, but phase separated at 25°C where the bilayers were in a gel state, consistent with vesicle aggregation below the lipid melting temperature. Formation of bilayer-embedded nanoparticles was confirmed by differential scanning calorimetry and fluorescence anisotropy, where increasing nanoparticle concentration suppressed the lipid pretransition temperature, reduced the melting temperature, and disrupted gel phase bilayers. The characteristic surface plasmon resonance (SPR wavelength of the embedded nanoparticles was independent of the bilayer phase; however, the SPR absorbance was dependent on vesicle aggregation. Conclusion These results suggest that lipid bilayers can distort to accommodate large hydrophobic nanoparticles, relative to the thickness of the bilayer, and may provide insight into nanoparticle/biomembrane interactions and the design of multifunctional liposomal carriers.

  11. Small-angle and wide-angle X-ray scattering study on the bilayer structure of synthetic and bovine heart cardiolipins

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, Hiroshi [Biophysics Laboratory, Department of Chemistry and Chemical Biology, Gunma University, Maebashi, Gunma, 371-8510 (Japan); Hayakawa, Tomohiro [Life Science Laboratory, Advanced Materials Laboratories, Sony Corporation, Yushima, Bunkyo-ku, Tokyo, 113-8510 (Japan); Ito, Kazuki; Takata, Masaki [Structural Materials Science Laboratory, RIKEN SPring-8 Center, Sayo, Hyogo 679-5148 (Japan); Kobayashi, Toshihide, E-mail: htakahas@chem-bio.gunma-u.ac.j [Lipid Biology Laboratory, RIKEN, Wako, Saitama 351-0198 (Japan)

    2010-10-01

    Cardiolipin (CL) is a membrane phospholipid containing four fatty acid chains. CL plays an important role in energy transformation in mitochondria. The disorder of CL biosynthesis is involved in a genetic disease, Barth syndrome. Alteration of fatty acid composition of CLs has been found in Barth syndrome patients, i.e., the decrease of unsaturated fatty acid chains. In this study, we investigated how the degree of saturation alters the structure of CL bilayers by using X-ray scattering. Bovine heart CL and two synthetic CLs were compared. Fatty acid compositions of these three CLs have different saturation. Small-angle X-ray scattering data showed that the decrease of the number of double bonds in the unsaturated fatty acid chains causes to thicken the CL bilayers. In addition, wide-angle X-ray scattering data suggested that the decrease reduces the degree of disorder of the hydrophobic region in a liquid crystalline phase. These results may be related to the dysfunction of mitochondria in Barth syndrome.

  12. Small-angle and wide-angle X-ray scattering study on the bilayer structure of synthetic and bovine heart cardiolipins

    International Nuclear Information System (INIS)

    Takahashi, Hiroshi; Hayakawa, Tomohiro; Ito, Kazuki; Takata, Masaki; Kobayashi, Toshihide

    2010-01-01

    Cardiolipin (CL) is a membrane phospholipid containing four fatty acid chains. CL plays an important role in energy transformation in mitochondria. The disorder of CL biosynthesis is involved in a genetic disease, Barth syndrome. Alteration of fatty acid composition of CLs has been found in Barth syndrome patients, i.e., the decrease of unsaturated fatty acid chains. In this study, we investigated how the degree of saturation alters the structure of CL bilayers by using X-ray scattering. Bovine heart CL and two synthetic CLs were compared. Fatty acid compositions of these three CLs have different saturation. Small-angle X-ray scattering data showed that the decrease of the number of double bonds in the unsaturated fatty acid chains causes to thicken the CL bilayers. In addition, wide-angle X-ray scattering data suggested that the decrease reduces the degree of disorder of the hydrophobic region in a liquid crystalline phase. These results may be related to the dysfunction of mitochondria in Barth syndrome.

  13. Modulated phases of phospholipid bilayers induced by tocopherols.

    Science.gov (United States)

    Kamal, Md Arif; Raghunathan, V A

    2012-11-01

    The influence of α-, γ- and δ-tocopherols on the structure and phase behavior of dipalmitoyl phosphatidylcholine (DPPC) bilayers has been determined from X-ray diffraction studies on oriented multilayers. In all the three cases the main-transition temperature (T(m)) of DPPC was found to decrease with increasing tocopherol concentration up to around 25 mol%. Beyond this the main transition is suppressed in the case of γ-tocopherol, whereas T(m) becomes insensitive to composition in the other two cases. The pre-transition is found to be suppressed over a narrow tocopherol concentration range between 7.5 and 10 mol% in DPPC-γ-tocopherol and DPPC-δ-tocopherol bilayers, and the ripple phase occurs down to the lowest temperature studied. In all the three cases a modulated phase is observed above a tocopherol concentration of about 10 mol%, which is similar to the P(β) phase reported in DPPC-cholesterol bilayers. This phase is found to occur even in excess water conditions at lower tocopherol concentrations, and consists of bilayers with periodic height modulation. These results indicate the ability of tocopherols to induce local curvature in membranes, which could be important for some of their biological functions. Copyright © 2012 Elsevier B.V. All rights reserved.

  14. A high performance transparent resistive switching memory made from ZrO_2/AlON bilayer structure

    International Nuclear Information System (INIS)

    Tsai, Tsung-Ling; Chang, Hsiang-Yu; Tseng, Tseung-Yuen; Lou, Jesse Jen-Chung

    2016-01-01

    In this study, the switching properties of an indium tin oxide (ITO)/zirconium oxide (ZrO_2)/ITO single layer device and those of a device with an aluminum oxynitride (AlON) layer were investigated. The devices with highly transparent characteristics were fabricated. Compared with the ITO/ZrO_2/ITO single layer device, the ITO/ZrO_2/AlON/ITO bilayer device exhibited a larger ON/OFF ratio, higher endurance performance, and superior retention properties by using a simple two-step forming process. These substantial improvements in the resistive switching properties were attributed to the minimized influence of oxygen migration through the ITO top electrode (TE), which can be realized by forming an asymmetrical conductive filament with the weakest part at the ZrO_2/AlON interface. Therefore, in the ITO/ZrO_2/AlON/ITO bilayer device, the regions where conductive filament formation and rupture occur can be effectively moved from the TE interface to the interior of the device.

  15. A high performance transparent resistive switching memory made from ZrO{sub 2}/AlON bilayer structure

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, Tsung-Ling; Chang, Hsiang-Yu; Tseng, Tseung-Yuen, E-mail: tseng@cc.nctu.edu.tw [Department of Electronics Engineering and Institute of Electronics, National Chiao Tung University, Hsinchu 30010, Taiwan (China); Lou, Jesse Jen-Chung [Department of Energy Information Engineering, School of Software and Microelectronics, Peking University, Wuxi 214125 (China)

    2016-04-11

    In this study, the switching properties of an indium tin oxide (ITO)/zirconium oxide (ZrO{sub 2})/ITO single layer device and those of a device with an aluminum oxynitride (AlON) layer were investigated. The devices with highly transparent characteristics were fabricated. Compared with the ITO/ZrO{sub 2}/ITO single layer device, the ITO/ZrO{sub 2}/AlON/ITO bilayer device exhibited a larger ON/OFF ratio, higher endurance performance, and superior retention properties by using a simple two-step forming process. These substantial improvements in the resistive switching properties were attributed to the minimized influence of oxygen migration through the ITO top electrode (TE), which can be realized by forming an asymmetrical conductive filament with the weakest part at the ZrO{sub 2}/AlON interface. Therefore, in the ITO/ZrO{sub 2}/AlON/ITO bilayer device, the regions where conductive filament formation and rupture occur can be effectively moved from the TE interface to the interior of the device.

  16. Electronic and Optical Properties of Twisted Bilayer Graphene

    Science.gov (United States)

    Huang, Shengqiang

    The ability to isolate single atomic layers of van der Waals materials has led to renewed interest in the electronic and optical properties of these materials as they can be fundamentally different at the monolayer limit. Moreover, these 2D crystals can be assembled together layer by layer, with controllable sequence and orientation, to form artificial materials that exhibit new features that are not found in monolayers nor bulk. Twisted bilayer graphene is one such prototype system formed by two monolayer graphene layers placed on top of each other with a twist angle between their lattices, whose electronic band structure depends on the twist angle. This thesis presents the efforts to explore the electronic and optical properties of twisted bilayer graphene by Raman spectroscopy and scanning tunneling microscopy measurements. We first synthesize twisted bilayer graphene with various twist angles via chemical vapor deposition. Using a combination of scanning tunneling microscopy and Raman spectroscopy, the twist angles are determined. The strength of the Raman G peak is sensitive to the electronic band structure of twisted bilayer graphene and therefore we use this peak to monitor changes upon doping. Our results demonstrate the ability to modify the electronic and optical properties of twisted bilayer graphene with doping. We also fabricate twisted bilayer graphene by controllable stacking of two graphene monolayers with a dry transfer technique. For twist angles smaller than one degree, many body interactions play an important role. It requires eight electrons per moire unit cell to fill up each band instead of four electrons in the case of a larger twist angle. For twist angles smaller than 0.4 degree, a network of domain walls separating AB and BA stacking regions forms, which are predicted to host topologically protected helical states. Using scanning tunneling microscopy and spectroscopy, these states are confirmed to appear on the domain walls when inversion

  17. Double Barriers and Magnetic Field in Bilayer Graphene

    Science.gov (United States)

    Redouani, Ilham; Jellal, Ahmed; Bahlouli, Hocine

    2015-12-01

    We study the transmission probability in an AB-stacked bilayer graphene of Dirac fermions scattered by a double-barrier structure in the presence of a magnetic field. We take into account the full four bands structure of the energy spectrum and use the suitable boundary conditions to determine the transmission probability. Our numerical results show that for energies higher than the interlayer coupling, four ways for transmission are possible while for energies less than the height of the barrier, Dirac fermions exhibit transmission resonances and only one transmission channel is available. We show that, for AB-stacked bilayer graphene, there is no Klein tunneling at normal incidence. We find that the transmission displays sharp peaks inside the transmission gap around the Dirac point within the barrier regions while they are absent around the Dirac point in the well region. The effect of the magnetic field, interlayer electrostatic potential, and various barrier geometry parameters on the transmission probabilities is also discussed.

  18. Computational Insight Into the Structural Organization of Full-Length Toll-Like Receptor 4 Dimer in a Model Phospholipid Bilayer

    Directory of Open Access Journals (Sweden)

    Mahesh Chandra Patra

    2018-03-01

    Full Text Available Toll-like receptors (TLRs are a unique category of pattern recognition receptors that recognize distinct pathogenic components, often utilizing the same set of downstream adaptors. Specific molecular features of extracellular, transmembrane (TM, and cytoplasmic domains of TLRs are crucial for coordinating the complex, innate immune signaling pathway. Here, we constructed a full-length structural model of TLR4—a widely studied member of the interleukin-1 receptor/TLR superfamily—using homology modeling, protein–protein docking, and molecular dynamics simulations to understand the differential domain organization of TLR4 in a membrane-aqueous environment. Results showed that each functional domain of the membrane-bound TLR4 displayed several structural transitions that are biophysically essential for plasma membrane integration. Specifically, the extracellular and cytoplasmic domains were partially immersed in the upper and lower leaflets of the membrane bilayer. Meanwhile, TM domains tilted considerably to overcome the hydrophobic mismatch with the bilayer core. Our analysis indicates an alternate dimerization or a potential oligomerization interface of TLR4-TM. Moreover, the helical properties of an isolated TM dimer partly agree with that of the full-length receptor. Furthermore, membrane-absorbed or solvent-exposed surfaces of the toll/interleukin-1 receptor domain are consistent with previous X-ray crystallography and biochemical studies. Collectively, we provided a complete structural model of membrane-bound TLR4 that strengthens our current understanding of the complex mechanism of receptor activation and adaptor recruitment in the innate immune signaling pathway.

  19. Monte Carlo study of the magnetic properties in a bilayer dendrimer structure with non-magnetic layers

    Science.gov (United States)

    Jabar, A.; Masrour, R.

    2017-12-01

    In this paper, we study the Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions and magnetic layer effects on the bilayer transitions of a spin-5/2 Blume-Capel model formed by two magnetic blocs separated by a non-magnetic spacer of finite thickness. The thermalization process of magnetization for systems sizes has been given. We have shown that the magnetic order in the two magnetic blocs depend on the thickness of the magnetic layer. In the total magnetization profiles, the susceptibility peaks correspond to the reduced critical temperature. This critical temperature is displaced towards higher temperatures when increasing the number of magnetic layers. In addition, we have discussed and interpreted the behaviors of the magnetic hysteresis loops.

  20. A non-magnetic spacer layer effect on spin layers (7/2,3) in a bi-layer ferromagnetic dendrimer structure: Monte Carlo study

    Science.gov (United States)

    Jabar, A.; Tahiri, N.; Bahmad, L.; Benyoussef, A.

    2016-11-01

    A bi-layer system consisting of layers of spins (7/2, 3) in a ferromagnetic dendrimer structure, separated by a non-magnetic spacer, is studied by Monte Carlo simulations. The effect of the RKKY interactions is investigated and discussed for such system. It is shown that the magnetic properties in the two magnetic layers depend strongly on the thickness of the magnetic and non-magnetic layers. The total magnetizations and susceptibilities are studied as a function of the reduced temperature. The effect of the reduced exchange interactions as well as the reduced crystal field is outlined. On other hand, the critical temperature is discussed as a function of the magnetic layer values. To complete this study we presented and discussed the magnetic hysteresis cycles.

  1. Cholesterol enhances surface water diffusion of phospholipid bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Chi-Yuan; Kausik, Ravinath; Han, Songi, E-mail: songi@chem.ucsb.edu [Department of Chemistry and Biochemistry and Materials Research Laboratory, University of California, Santa Barbara, California 93106 (United States); Olijve, Luuk L. C. [Laboratory of Macromolecular and Organic Chemistry and Institute for Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, 5600 MB, Eindhoven (Netherlands)

    2014-12-14

    Elucidating the physical effect of cholesterol (Chol) on biological membranes is necessary towards rationalizing their structural and functional role in cell membranes. One of the debated questions is the role of hydration water in Chol-embedding lipid membranes, for which only little direct experimental data are available. Here, we study the hydration dynamics in a series of Chol-rich and depleted bilayer systems using an approach termed {sup 1}H Overhauser dynamic nuclear polarization (ODNP) NMR relaxometry that enables the sensitive and selective determination of water diffusion within 5–10 Å of a nitroxide-based spin label, positioned off the surface of the polar headgroups or within the nonpolar core of lipid membranes. The Chol-rich membrane systems were prepared from mixtures of Chol, dipalmitoyl phosphatidylcholine and/or dioctadecyl phosphatidylcholine lipid that are known to form liquid-ordered, raft-like, domains. Our data reveal that the translational diffusion of local water on the surface and within the hydrocarbon volume of the bilayer is significantly altered, but in opposite directions: accelerated on the membrane surface and dramatically slowed in the bilayer interior with increasing Chol content. Electron paramagnetic resonance (EPR) lineshape analysis shows looser packing of lipid headgroups and concurrently tighter packing in the bilayer core with increasing Chol content, with the effects peaking at lipid compositions reported to form lipid rafts. The complementary capability of ODNP and EPR to site-specifically probe the hydration dynamics and lipid ordering in lipid membrane systems extends the current understanding of how Chol may regulate biological processes. One possible role of Chol is the facilitation of interactions between biological constituents and the lipid membrane through the weakening or disruption of strong hydrogen-bond networks of the surface hydration layers that otherwise exert stronger repulsive forces, as reflected in

  2. Cholesterol Protects the Oxidized Lipid Bilayer from Water Injury

    DEFF Research Database (Denmark)

    Owen, Michael C; Kulig, Waldemar; Rog, Tomasz

    2018-01-01

    In an effort to delineate how cholesterol protects membrane structure under oxidative stress conditions, we monitored the changes to the structure of lipid bilayers comprising 30 mol% cholesterol and an increasing concentration of Class B oxidized 1-palmitoyl-2-oleoylphosphatidylcholine (POPC...... in a characteristic reduction in bilayer thickness and increase in area per lipid, thereby increasing the exposure of the membrane hydrophobic region to water. However, cholesterol was observed to help reduce water injury by moving into the bilayer core and forming more hydrogen bonds with the oxPLs. Cholesterol also...... resists altering its tilt angle, helping to maintain membrane integrity. Water that enters the 1-nm-thick core region remains part of the bulk water on either side of the bilayer, with relatively few water molecules able to traverse through the bilayer. In cholesterol-rich membranes, the bilayer does...

  3. Solution NMR structure determination of proteins revisited

    International Nuclear Information System (INIS)

    Billeter, Martin; Wagner, Gerhard; Wuethrich, Kurt

    2008-01-01

    This 'Perspective' bears on the present state of protein structure determination by NMR in solution. The focus is on a comparison of the infrastructure available for NMR structure determination when compared to protein crystal structure determination by X-ray diffraction. The main conclusion emerges that the unique potential of NMR to generate high resolution data also on dynamics, interactions and conformational equilibria has contributed to a lack of standard procedures for structure determination which would be readily amenable to improved efficiency by automation. To spark renewed discussion on the topic of NMR structure determination of proteins, procedural steps with high potential for improvement are identified

  4. Bias induced modulation of electrical and thermal conductivity and heat capacity of BN and BN/graphene bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Chegel, Raad, E-mail: Raad.chegel@gmail.com

    2017-04-15

    By using the tight binding approximation and Green function method, the electronic structure, density of state, electrical conductivity, heat capacity of BN and BN/graphene bilayers are investigated. The AA-, AB{sub 1}- and AB{sub 2}- BN/graphene bilayers have small gap unlike to BN bilayers which are wide band gap semiconductors. Unlike to BN bilayer, the energy gap of graphene/BN bilayers increases with external field. The magnitude of the change in the band gap of BN bilayers is much higher than the graphene/BN bilayers. Near absolute zero, the σ(T) is zero for BN bilayers and it increases with temperature until reaches maximum value then decreases. The BN/graphene bilayers have larger electrical conductivity larger than BN bilayers. For both bilayers, the specific heat capacity has a Schottky anomaly.

  5. Exchange bias effect in L10-ordered FePt and FeCo-based bilayer structure: effect of increasing applied field

    Science.gov (United States)

    Singh, Sadhana; Kumar, Dileep; Bhagat, Babli; Choudhary, R. J.; Reddy, V. R.; Gupta, Ajay

    2018-02-01

    The applied magnetic field (H APP) dependence of the exchange bias (EB) is studied in an exchange-coupled thin-film bilayer composed of a hard ferromagnetic FePt layer in the proximity of a soft ferromagnetic FeCo layer. FePt/FeCo structure is deposited in an ultra-high vacuum chamber, where the FePt layer was first annealed at 823 K for 30 min and subsequently cooled to room temperature in the presence of an in-plane magnetic field, H MAX ~ 1.5 kOe to promote L10-ordered hard magnetic phase with magnetic moments aligned in one of the in-plane directions in the FePt layer. In-situ magneto-optical Kerr effect measurements during different stages of bilayer growth and detailed ex-situ superconducting quantum interference device-vibrating sample magnetometer measurements jointly revealed that due to the interplay between exchange coupling at the interface and dipolar energies of the saturated hard FePt layer, a hysteresis loop of FeCo layer shifts along the magnetic field axis. A clear dependence of EB field (H EB) on increasing maximum value of the H APP during the hysteresis loop measurement is understood in terms of the magnetic state of soft and hard magnetic layers, where EB increases with increasing H APP until the hard layer moment remains undisturbed in its remanence state. As soon as the field was sufficient to rotate the spins of the FePt layer, the loop became symmetric with respect to the field axis.

  6. Nanoporous microbead supported bilayers: stability, physical characterization, and incorporation of functional transmembrane proteins.

    Energy Technology Data Exchange (ETDEWEB)

    Davis, Ryan W. (University of New Mexico, Albuquerque, NM); Brozik, James A. (University of New Mexico, Albuquerque, NM); Brozik, Susan Marie; Cox, Jason M. (University of New Mexico, Albuquerque, NM); Lopez, Gabriel P. (University of New Mexico, Albuquerque, NM); Barrick, Todd A. (University of New Mexico, Albuquerque, NM); Flores, Adrean (University of New Mexico, Albuquerque, NM)

    2007-03-01

    The introduction of functional transmembrane proteins into supported bilayer-based biomimetic systems presents a significant challenge for biophysics. Among the various methods for producing supported bilayers, liposomal fusion offers a versatile method for the introduction of membrane proteins into supported bilayers on a variety of substrates. In this study, the properties of protein containing unilamellar phosphocholine lipid bilayers on nanoporous silica microspheres are investigated. The effects of the silica substrate, pore structure, and the substrate curvature on the stability of the membrane and the functionality of the membrane protein are determined. Supported bilayers on porous silica microspheres show a significant increase in surface area on surfaces with structures in excess of 10 nm as well as an overall decrease in stability resulting from increasing pore size and curvature. Comparison of the liposomal and detergent-mediated introduction of purified bacteriorhodopsin (bR) and the human type 3 serotonin receptor (5HT3R) are investigated focusing on the resulting protein function, diffusion, orientation, and incorporation efficiency. In both cases, functional proteins are observed; however, the reconstitution efficiency and orientation selectivity are significantly enhanced through detergent-mediated protein reconstitution. The results of these experiments provide a basis for bulk ionic and fluorescent dye-based compartmentalization assays as well as single-molecule optical and single-channel electrochemical interrogation of transmembrane proteins in a biomimetic platform.

  7. Electronic structure and optical properties of twisted bilayer graphene calculated via time evolution of states in real space

    Science.gov (United States)

    Le, H. Anh; Do, V. Nam

    2018-03-01

    We investigate the electronic and optical properties of twisted bilayer graphene with arbitrary twist angles θ . Our results are based on a method of evolving in time quantum states in lattice space. We propose an efficient scheme of sampling lattice nodes that helps to reduce significantly computational cost, particularly for tiny twist angles. We demonstrate the continuous variation of the density of states and the optical conductivity with respect to the twist angle. It indicates that the commensurability between the two graphene layers does not play an essential role in governing the electronic and optical properties. We point out that, for the twist angles roughly in the range 0 .1∘energy exhibits the typical W shape with a small peak locating at the Fermi energy. This peak is formed as the merging of two van Hove peaks and reflects the appearance of states strongly localized in the AA-like region of moiré zones. When decreasing the twist angle to zero, the W shape is gradually transformed to the U shape, which is seen as the behavior of the density of states in the limit of θ →0∘ .

  8. Engineering plant membranes using droplet interface bilayers.

    Science.gov (United States)

    Barlow, N E; Smpokou, E; Friddin, M S; Macey, R; Gould, I R; Turnbull, C; Flemming, A J; Brooks, N J; Ces, O; Barter, L M C

    2017-03-01

    Droplet interface bilayers (DIBs) have become widely recognised as a robust platform for constructing model membranes and are emerging as a key technology for the bottom-up assembly of synthetic cell-like and tissue-like structures. DIBs are formed when lipid-monolayer coated water droplets are brought together inside a well of oil, which is excluded from the interface as the DIB forms. The unique features of the system, compared to traditional approaches (e.g., supported lipid bilayers, black lipid membranes, and liposomes), is the ability to engineer multi-layered bilayer networks by connecting multiple droplets together in 3D, and the capability to impart bilayer asymmetry freely within these droplet architectures by supplying droplets with different lipids. Yet despite these achievements, one potential limitation of the technology is that DIBs formed from biologically relevant components have not been well studied. This could limit the reach of the platform to biological systems where bilayer composition and asymmetry are understood to play a key role. Herein, we address this issue by reporting the assembly of asymmetric DIBs designed to replicate the plasma membrane compositions of three different plant species; Arabidopsis thaliana , tobacco, and oats, by engineering vesicles with different amounts of plant phospholipids, sterols and cerebrosides for the first time. We show that vesicles made from our plant lipid formulations are stable and can be used to assemble asymmetric plant DIBs. We verify this using a bilayer permeation assay, from which we extract values for absolute effective bilayer permeation and bilayer stability. Our results confirm that stable DIBs can be assembled from our plant membrane mimics and could lead to new approaches for assembling model systems to study membrane translocation and to screen new agrochemicals in plants.

  9. Water distribution function across the curved lipid bilayer: SANS study

    International Nuclear Information System (INIS)

    Kiselev, M.A.; Zemlyanaya, E.V.; Ryabova, N.Y.; Hauss, T.; Dante, S.; Lombardo, D.

    2008-01-01

    The neutron scattering length density across the membrane is simulated on the basis of fluctuated model of lipid bilayer. The use of a separated form factors method has been applied for the identification of the structural features of the polydispersed unilamellar DMPC vesicle system. The hydration of vesicle is described by sigmoid distribution function of the water molecules. The application of the model to the obtained SANS spectra allow the determination of the main parameters of the system, such as the average vesicle radius (and its polydispersity), the membrane thickness, the thickness of hydrocarbon chain region, the number of water molecules located per lipid molecule, and the phospholipid surface area. Moreover the approach allow the calculation of some relevant parameters connected with the water distribution function across the bilayer system. The main features of the obtained results furnish an explanation of why lipid membrane is easily penetrated by the water molecules of the solution

  10. Infrared spectroscopy of fluid lipid bilayers.

    Science.gov (United States)

    Hull, Marshall C; Cambrea, Lee R; Hovis, Jennifer S

    2005-09-15

    Infrared spectroscopy is a powerful technique for examining lipid bilayers; however, it says little about the fluidity of the bilayer-a key physical aspect. It is shown here that it is possible to both acquire spectroscopic data of supported lipid bilayer samples and make measurements of the membrane fluidity. Attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FT-IR) is used to obtain the spectroscopic information and fluorescence recovery after photobleaching (FRAP) is used to determine the fluidity of the samples. In the infrared spectra of lipid bilayers composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, the following major peaks were observed; nu(as)(CH3) 2954 cm(-1), nu(s)(CH3) 2870 cm(-1), nu(as)(CH2) 2924 cm(-1), nu(s)(CH2) 2852 cm(-1), nu(C=O) 1734 cm(-1), delta(CH2) 1463-1473 cm(-1), nu(as)(PO2-) 1226 cm(-1), nu(s)(PO2-) 1084 cm(-1), and nu(as)(N+(CH3)3) 973 cm(-1). The diffusion coefficient of the same lipid bilayer was measured to be 3.5 +/- 0.5 micom(2)/s with visual recovery also noted through use of epifluorescence microscopy. FRAP and visual data confirm the formation of a uniform, mobile supported lipid bilayer. The combination of ATR-FT-IR and FRAP provides complementary data giving a more complete picture of fully hydrated model membrane systems.

  11. Determination of the separate lipid and protein profile structures derived from the total membrane profile structure or isolated sarcoplasmic reticulum via x-ray and neutron diffraction

    International Nuclear Information System (INIS)

    Herbette, L.; Blasie, J.K.

    1984-01-01

    Sarcoplasmic reticulum (SR) membranes were prepared to contain biosynthetically deuterated SR phospholipids utilizing specific and general phospholipid exchange proteins (PLEP). Functional measurements and freeze fracture on SR dispersions and x-ray diffraction of hydrated oriented membrane multilayers revealed that the exchanged SR membranes were very similar to unexchanged SR membranes. Low resolution (28-A) neutron diffraction studies utilizing SR membranes exchanged with either protonated or perdeuterated SR phospholipids allowed direct determination of the lipid profile within the isolated SR membrane at two different unit cell repeat distances. These lipid profile structures were found to be highly asymmetric regarding the conformation of the fatty acid chain extents and compositional distribution of phospholipid molecules in the inner vs. outer monolayer of the SR membrane bilayer. The relatively high resolution (11-A) electron-density profile from x-ray diffraction was decomposed by utilizing the asymmetry in the number of phospholipid molecules residing in the inner vs. outer monolayer of the SR lipid bilayer as obtained from the neutron diffraction study. To our knowledge, this represents the first direct determination of a lipid bilayer profile structure within an isolated membrane system

  12. Determinants of Glycosaminoglycan (GAG Structure

    Directory of Open Access Journals (Sweden)

    Kristian Prydz

    2015-08-01

    Full Text Available Proteoglycans (PGs are glycosylated proteins of biological importance at cell surfaces, in the extracellular matrix, and in the circulation. PGs are produced and modified by glycosaminoglycan (GAG chains in the secretory pathway of animal cells. The most common GAG attachment site is a serine residue followed by a glycine (-ser-gly-, from which a linker tetrasaccharide extends and may continue as a heparan sulfate, a heparin, a chondroitin sulfate, or a dermatan sulfate GAG chain. Which type of GAG chain becomes attached to the linker tetrasaccharide is influenced by the structure of the protein core, modifications occurring to the linker tetrasaccharide itself, and the biochemical environment of the Golgi apparatus, where GAG polymerization and modification by sulfation and epimerization take place. The same cell type may produce different GAG chains that vary, depending on the extent of epimerization and sulfation. However, it is not known to what extent these differences are caused by compartmental segregation of protein cores en route through the secretory pathway or by differential recruitment of modifying enzymes during synthesis of different PGs. The topic of this review is how different aspects of protein structure, cellular biochemistry, and compartmentalization may influence GAG synthesis.

  13. Confocal Raman Microscopy for in Situ Measurement of Phospholipid-Water Partitioning into Model Phospholipid Bilayers within Individual Chromatographic Particles.

    Science.gov (United States)

    Kitt, Jay P; Bryce, David A; Minteer, Shelley D; Harris, Joel M

    2018-06-05

    The phospholipid-water partition coefficient is a commonly measured parameter that correlates with drug efficacy, small-molecule toxicity, and accumulation of molecules in biological systems in the environment. Despite the utility of this parameter, methods for measuring phospholipid-water partition coefficients are limited. This is due to the difficulty of making quantitative measurements in vesicle membranes or supported phospholipid bilayers, both of which are small-volume phases that challenge the sensitivity of many analytical techniques. In this work, we employ in situ confocal Raman microscopy to probe the partitioning of a model membrane-active compound, 2-(4-isobutylphenyl) propionic acid or ibuprofen, into both hybrid- and supported-phospholipid bilayers deposited on the pore walls of individual chromatographic particles. The large surface-area-to-volume ratio of chromatographic silica allows interrogation of a significant lipid bilayer area within a very small volume. The local phospholipid concentration within a confocal probe volume inside the particle can be as high as 0.5 M, which overcomes the sensitivity limitations of making measurements in the limited membrane areas of single vesicles or planar supported bilayers. Quantitative determination of ibuprofen partitioning is achieved by using the phospholipid acyl-chains of the within-particle bilayer as an internal standard. This approach is tested for measurements of pH-dependent partitioning of ibuprofen into both hybrid-lipid and supported-lipid bilayers within silica particles, and the results are compared with octanol-water partitioning and with partitioning into individual optically trapped phospholipid vesicle membranes. Additionally, the impact of ibuprofen partitioning on bilayer structure is evaluated for both within-particle model membranes and compared with the structural impacts of partitioning into vesicle lipid bilayers.

  14. Finite element analysis of the cyclic indentation of bilayer enamel

    International Nuclear Information System (INIS)

    Jia, Yunfei; Xuan, Fu-zhen; Chen, Xiaoping; Yang, Fuqian

    2014-01-01

    Tooth enamel is often subjected to repeated contact and often experiences contact deformation in daily life. The mechanical strength of the enamel determines the biofunctionality of the tooth. Considering the variation of the rod arrangement in outer and inner enamel, we approximate enamel as a bilayer structure and perform finite element analysis of the cyclic indentation of the bilayer structure, to mimic the repeated contact of enamel during mastication. The dynamic deformation behaviour of both the inner enamel and the bilayer enamel is examined. The material parameters of the inner and outer enamel used in the analysis are obtained by fitting the finite element results with the experimental nanoindentation results. The penetration depth per cycle at the quasi-steady state is used to describe the depth propagation speed, which exhibits a two-stage power-law dependence on the maximum indentation load and the amplitude of the cyclic load, respectively. The continuous penetration of the indenter reflects the propagation of the plastic zone during cyclic indentation, which is related to the energy dissipation. The outer enamel serves as a protective layer due to its great resistance to contact deformation in comparison to the inner enamel. The larger equivalent plastic strain and lower stresses in the inner enamel during cyclic indentation, as calculated from the finite element analysis, indicate better crack/fracture resistance of the inner enamel. (paper)

  15. Finite element analysis of the cyclic indentation of bilayer enamel

    Science.gov (United States)

    Jia, Yunfei; Xuan, Fu-zhen; Chen, Xiaoping; Yang, Fuqian

    2014-04-01

    Tooth enamel is often subjected to repeated contact and often experiences contact deformation in daily life. The mechanical strength of the enamel determines the biofunctionality of the tooth. Considering the variation of the rod arrangement in outer and inner enamel, we approximate enamel as a bilayer structure and perform finite element analysis of the cyclic indentation of the bilayer structure, to mimic the repeated contact of enamel during mastication. The dynamic deformation behaviour of both the inner enamel and the bilayer enamel is examined. The material parameters of the inner and outer enamel used in the analysis are obtained by fitting the finite element results with the experimental nanoindentation results. The penetration depth per cycle at the quasi-steady state is used to describe the depth propagation speed, which exhibits a two-stage power-law dependence on the maximum indentation load and the amplitude of the cyclic load, respectively. The continuous penetration of the indenter reflects the propagation of the plastic zone during cyclic indentation, which is related to the energy dissipation. The outer enamel serves as a protective layer due to its great resistance to contact deformation in comparison to the inner enamel. The larger equivalent plastic strain and lower stresses in the inner enamel during cyclic indentation, as calculated from the finite element analysis, indicate better crack/fracture resistance of the inner enamel.

  16. Computational Design of Multi-component Bio-Inspired Bilayer Membranes

    Directory of Open Access Journals (Sweden)

    Evan Koufos

    2014-04-01

    Full Text Available Our investigation is motivated by the need to design bilayer membranes with tunable interfacial and mechanical properties for use in a range of applications, such as targeted drug delivery, sensing and imaging. We draw inspiration from biological cell membranes and focus on their principal constituents. In this paper, we present our results on the role of molecular architecture on the interfacial, structural and dynamical properties of bio-inspired membranes. We focus on four lipid architectures with variations in the head group shape and the hydrocarbon tail length. Each lipid species is composed of a hydrophilic head group and two hydrophobic tails. In addition, we study a model of the Cholesterol molecule to understand the interfacial properties of a bilayer membrane composed of rigid, single-tail molecular species. We demonstrate the properties of the bilayer membranes to be determined by the molecular architecture and rigidity of the constituent species. Finally, we demonstrate the formation of a stable mixed bilayer membrane composed of Cholesterol and one of the phospholipid species. Our approach can be adopted to design multi-component bilayer membranes with tunable interfacial and mechanical properties. We use a Molecular Dynamics-based mesoscopic simulation technique called Dissipative Particle Dynamics that resolves the molecular details of the components through soft-sphere coarse-grained models and reproduces the hydrodynamic behavior of the system over extended time scales.

  17. Monte Carlo determination of heteroepitaxial misfit structures

    DEFF Research Database (Denmark)

    Baker, J.; Lindgård, Per-Anker

    1996-01-01

    We use Monte Carlo simulations to determine the structure of KBr overlayers on a NaCl(001) substrate, a system with large (17%) heteroepitaxial misfit. The equilibrium relaxation structure is determined for films of 2-6 ML, for which extensive helium-atom scattering data exist for comparison...

  18. Thermotropic and Barotropic Phase Behavior of Phosphatidylcholine Bilayers

    Directory of Open Access Journals (Sweden)

    Nobutake Tamai

    2013-01-01

    Full Text Available Bilayers formed by phospholipids are frequently used as model biological membranes in various life science studies. A characteristic feature of phospholipid bilayers is to undergo a structural change called a phase transition in response to environmental changes of their surroundings. In this review, we focus our attention on phase transitions of some major phospholipids contained in biological membranes, phosphatidylcholines (PCs, depending on temperature and pressure. Bilayers of dipalmitoylphosphatidylcholine (DPPC, which is the most representative lipid in model membrane studies, will first be explained. Then, the bilayer phase behavior of various kinds of PCs with different molecular structures is revealed from the temperature–pressure phase diagrams, and the difference in phase stability among these PC bilayers is discussed in connection with the molecular structure of the PC molecules. Furthermore, the solvent effect on the phase behavior is also described briefly.

  19. Dispersion of fullerenes in phospholipid bilayers and the subsequent phase changes in the host bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Jeng, U-S. [National Synchrotron Radiation Research Center, Hsinchu 30077, Taiwan (China)]. E-mail: usjeng@nsrrc.org.tw; Hsu, C.-H. [National Synchrotron Radiation Research Center, Hsinchu 30077, Taiwan (China); Lin, T.-L. [Department of Engineering and System Science, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Wu, C.-M. [Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Chen, H.-L. [Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Tai, L.-A. [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Hwang, K.-C. [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

    2005-02-28

    We have studied the structure and phase transition characteristics of the fullerenes (C{sub 60})-embedded lipid bilayers. With small-angle neutron scattering (SANS), we have observed a degradation of bilayer ordering and a suppression effect on the phase transitions of the host vesicle bilayers of dipalmitoylphosphatidylcholine (DPPC), due to the embedment of fullerenes. The fullerene-embedded lipid system with substrate-oriented bilayers is also investigated using X-ray reflectivity and grazing incident small-angle X-ray scattering (GISAXS). In the depth direction, the multilamellar peaks observed in the X-ray reflectivity profile for the oriented DPPC/C{sub 60} bilayers reveal a larger head-to-head distance D{sub HH} of 50.6 A and a bilayer spacing D of 59.8 A, compared to the D{sub HH}=47.7 A and D=59.5 A for a pure DPPC membrane measured at the same conditions. Furthermore, the lipid head layers and water layers in the extracted electron density profile for the complex system are highly smeared, implying a fluctuating or corrugated structure in this zone. Correspondingly, GISAXS for the oriented DPPC/C{sub 60} membrane reveals stronger diffuse scatterings along the membrane plane than that for the pure DPPC system, indicating a higher in-plane correlation associated with the embedded fullerenes.

  20. Peierls instability and optical properties of bilayer polyacene

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Longlong, E-mail: zhanglonglong@tyut.edu.cn [The College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China); Xie, Shijie [School of Physics, Shandong University, Jinan 250100 (China)

    2017-05-03

    Highlights: • The Peierls instability of bilayer polyacene is discussed. • The external electric field effect on bilayer polyacene is discussed. • The pressure effect on bilayer polyacene is discussed. • The optical properties of bilayer polyacene are discussed. - Abstract: We reveal that bilayer polyacene can be the gapped state due to the intralayer Peierls instability. There are six topologically inequivalent Peierls-distorted structures and they are degenerate in energy. The external electric field can tune the Peierls gap and induce the semiconductor-to-metallic phase transitions. The optical conductivity spectra are calculated in an attempt to categorize the Peierls-distorted structures. The strength of the interlayer coupling essentially affects the electronic properties and the optical selection rules.

  1. Influence of a ZnO Buffer Layer on the Structural, Optical, and Electrical Properties of ITO/ZnO Bi-Layered Films

    International Nuclear Information System (INIS)

    Heo, Sung-Bo; Moon, Hyun-Joo; Kim, Daeil; Kim, Jun-Ho

    2016-01-01

    Sn-doped indium oxide (ITO) films and ITO/ZnO bi-layered films were prepared on polycarbonate substrates by RF magnetron sputtering without intentional substrate heating. In order to consider the influence of the ZnO thickness on the structural, optical, and electrical properties of ITO/ZnO films, the thickness of the ZnO buffer layer was varied from 5 to 20 nm. As-deposited ITO films show an average optical transmittance of 79.2% in the visible range and an electrical resistivity of 3.0×10"-"4 Ωcm, while films with a 5-nm thick ZnO buffer layer film show an electrical resistivity of 2.6×10"-"4 Ωcm and films with a 20-nm thick ZnO buffer layer show an optical transmittance of 82.0%. Based on the figure of merit, it is concluded that the ZnO buffer layer enhances the optical and electrical performance of ITO films used as transparent conducting oxides in flexible display applications.

  2. Characteristic length scale of the magnon accumulation in Fe{sub 3}O{sub 4}/Pt bilayer structures by incoherent thermal excitation

    Energy Technology Data Exchange (ETDEWEB)

    Anadón, A., E-mail: anadonb@unizar.es; Lucas, I.; Morellón, L. [Instituto de Nanociencia de Aragón, Universidad de Zaragoza, E-50018 Zaragoza (Spain); Departamento de Física de la Materia Condensada, Universidad de Zaragoza, E-50009 Zaragoza (Spain); Ramos, R. [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Spin Quantum Rectification Project, ERATO, Japan Science and Technology Agency, Sendai 980-8577 (Japan); Algarabel, P. A. [Departamento de Física de la Materia Condensada, Universidad de Zaragoza, E-50009 Zaragoza (Spain); Instituto de Ciencia de Materiales de Aragón, Universidad de Zaragoza and Consejo Superior de Investigaciones Científicas, 50009 Zaragoza (Spain); Ibarra, M. R.; Aguirre, M. H. [Instituto de Nanociencia de Aragón, Universidad de Zaragoza, E-50018 Zaragoza (Spain); Departamento de Física de la Materia Condensada, Universidad de Zaragoza, E-50009 Zaragoza (Spain); Laboratorio de Microscopías avanzadas, Universidad de Zaragoza, 50018 Zaragoza (Spain)

    2016-07-04

    The dependence of Spin Seebeck effect (SSE) with the thickness of the magnetic materials is studied by means of incoherent thermal excitation. The SSE voltage signal in Fe{sub 3}O{sub 4}/Pt bilayer structure increases with the magnetic material thickness up to 100 nm, approximately, showing signs of saturation for larger thickness. This dependence is well described in terms of a spin current pumped in the platinum film by the magnon accumulation in the magnetic material. The spin current is generated by a gradient of temperature in the system and detected by the Pt top contact by means of inverse spin Hall effect. Calculations in the frame of the linear response theory adjust with a high degree of accuracy the experimental data, giving a thermal length scale of the magnon accumulation (Λ) of 17 ± 3 nm at 300 K and Λ = 40 ± 10 nm at 70 K.

  3. Structural characterization of hemoglobins from Monilifera and Frenulata tubeworms (Siboglinids): first discovery of giant hexagonal-bilayer hemoglobin in the former "Pogonophora" group.

    Science.gov (United States)

    Meunier, Cédric; Andersen, Ann C; Bruneaux, Matthieu; Le Guen, Dominique; Terrier, Peran; Leize-Wagner, Emmanuelle; Zal, Franck

    2010-01-01

    Siboglinids are symbiotic polychete annelids having hemoglobins as essential oxygen- and sulfide-carriers for their endosymbiotic bacteria. We analyzed the structure of the hemoglobins from two species of siboglinids: the monilifera Sclerolinum contortum and the frenulata Oligobrachia webbi (i.e. haakonmosbiensis) from Norwegian cold seeps. Measured by Multi-Angle Laser Light Scattering (MALLS), Sclerolinum shows a 3190+/-50 kDa hexagonal bilayer hemoglobin (HBL-Hb) and a 461+/-46 kDa ring-Hb, just as vestimentifera, whereas Oligobrachia has a 409+/-3.7 kDa ring-Hb only. Electrospray Ionization-Mass Spectrometry (ESI-MS) showed Sclerolinum HBL-Hb composed of seven monomeric globins (15-16 kDa), three disulfide-bonded globin heterodimers and three linkers. The heterodimers always contain globin-b (15814.4+/-1.5 Da). Sclerolinum ring-Hb is composed of globins and dimers with identical masses as its HBL-Hb, but lacks linkers. Oligobrachia ring-Hb has three globin monomers (14-15 kDa) only, with no disulfide-bonded dimers. Comparison of Sclerolinum hemoglobins between Storegga and Haakon Mosby Mud Volcano, using the normalized height of deconvoluted ESI-MS peaks, shows differences in globin monomers abundances that could reflect genetic differences or differential gene expression between distinct seep populations. The discovery of HBL-Hb in Sclerolinum is a new element supporting the hypothesis of monilifera being phylogenetically more closely related to vestimentifera, than to frenulata.

  4. Lipid Bilayer Formation on Organic Electronic Materials

    KAUST Repository

    Zhang, Yi

    2018-04-23

    The lipid bilayer is the elemental structure of cell membrane, forming a stable barrier between the interior and exterior of the cell while hosting membrane proteins that enable selective transport of biologically important compounds and cellular recognition. Monitoring the quality and function of lipid bilayers is thus essential and can be performed using electrically active substrates that allow for transduction of signals. Such a promising electronic transducer material is the conducting polymer poly(3,4-ethylenedioxythiophene) doped with poly(styrene sulfonate) (PEDOT:PSS) which has provided a plethora of novel bio transducing architectures. The challenge is however in assembling a bilayer on the conducting polymer surface, which is defect-free and has high mobility. Herein, we investigate the fusion of zwitterionic vesicles on a variety of PEDOT:PSS films, but also on an electron transporting, negatively charged organic semiconductor, in order to understand the surface properties that trigger vesicle fusion. The PEDOT:PSS films are prepared from dispersions containing different concentrations of ethylene glycol included as a formulation additive, which gives a handle to modulate surface physicochemical properties without a compromise on the chemical composition. The strong correlation between the polarity of the surface, the fusion of vesicles and the mobility of the resulting bilayer aides extracting design principles for the development of future conducting polymers that will enable the formation of lipid bilayers.

  5. Glycosphingolipids: 2H NMR study of the influence of carbohydrate headgroup structure on ceramide acyl chain behavior in glycolipid-phospholipid bilayers

    International Nuclear Information System (INIS)

    Fenske, D.B.; Jarrell, H.C.; Hamilton, K.; Florio, E.; Barber, K.R.; Grant, C.W.M.

    1991-01-01

    Galactosyl- and glucosylceramide, globoside, and dihydrolactosylceramide, bearing [2,2- 2 H 2 ]stearic acid, have been studied at a concentration of 10 mol % in bilayers of dimyristoylphosphatidylcholine by 2 H NMR. The quadrupolar splittings Δv Q of the C2 deuterons were measured at several temperatures in the range of 30-60 degree C. Spin-lattice relaxation times T 1 of C2 deuterons were determined in the same temperature range for all lipids but globoside. T 1 values for the GlcCer and GalCer systems increased with temperature, indicating that the motions responsible for relaxation were in the short correlation time regime. T 1 for deuterons at the acyl chain C2-position of LaCer was observed to decrease with increasing temperature, indicating that the motion(s) dominating relaxation are in the long correlation time regime. Thus the mobility of the acyl chain at the 2-position is reduced in the LacCer with respect to GlcCer and GalCer

  6. Glycosphingolipids: sup 2 H NMR study of the influence of carbohydrate headgroup structure on ceramide acyl chain behavior in glycolipid-phospholipid bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Fenske, D.B.; Jarrell, H.C. (National Research Council of Canada, Ottawa, Ontario (Canada)); Hamilton, K.; Florio, E.; Barber, K.R.; Grant, C.W.M. (Univ. of Western Ontario, London (Canada))

    1991-05-07

    Galactosyl- and glucosylceramide, globoside, and dihydrolactosylceramide, bearing (2,2-{sup 2}H{sub 2})stearic acid, have been studied at a concentration of 10 mol % in bilayers of dimyristoylphosphatidylcholine by {sup 2}H NMR. The quadrupolar splittings {Delta}v{sub Q} of the C2 deuterons were measured at several temperatures in the range of 30-60{degree}C. Spin-lattice relaxation times T{sub 1} of C2 deuterons were determined in the same temperature range for all lipids but globoside. T{sub 1} values for the GlcCer and GalCer systems increased with temperature, indicating that the motions responsible for relaxation were in the short correlation time regime. T{sub 1} for deuterons at the acyl chain C2-position of LaCer was observed to decrease with increasing temperature, indicating that the motion(s) dominating relaxation are in the long correlation time regime. Thus the mobility of the acyl chain at the 2-position is reduced in the LacCer with respect to GlcCer and GalCer.

  7. Structural determinants of students' employability: Influence of ...

    African Journals Online (AJOL)

    Structural determinants of students' employability: Influence of career ... greatest influence on students' employability, followed by decision-making skills, and ... efforts in developing app-ropriate strategies so as to engage undergraduates with ...

  8. Microstructure and mechanical behavior of a shape memory Ni-Ti bi-layer thin film

    Energy Technology Data Exchange (ETDEWEB)

    Mohri, Maryam [School of Metallurgy and Materials Engineering, College of Engineering, University of Tehran, Tehran (Iran, Islamic Republic of); Karlsruhe Institute of Technology, Institute of Nanotechnology, 76021 Karlsruhe (Germany); Nili-Ahmadabadi, Mahmoud, E-mail: nili@ut.ac.ir [School of Metallurgy and Materials Engineering, College of Engineering, University of Tehran, Tehran (Iran, Islamic Republic of); Center of Excellence for High Performance Materials, University of Tehran, Tehran (Iran, Islamic Republic of); Ivanisenko, Julia [Karlsruhe Institute of Technology, Institute of Nanotechnology, 76021 Karlsruhe (Germany); Schwaiger, Ruth [Karlsruhe Institute of Technology, Institute for Applied Materials, 76021 Karlsruhe (Germany); Hahn, Horst; Chakravadhanula, Venkata Sai Kiran [Karlsruhe Institute of Technology, Institute of Nanotechnology, 76021 Karlsruhe (Germany)

    2015-05-29

    Two different single-layers and a bi-layer Ni-Ti thin films with chemical compositions of Ni{sub 45}Ti{sub 50}Cu{sub 5}, Ni{sub 50.8}Ti{sub 49.2} and Ni{sub 50.8}Ti{sub 49.2}/Ni{sub 45}Ti{sub 50}Cu{sub 5} (numbers indicate at.%) determined by energy dispersive X-ray spectroscopy were deposited on Si (111) substrates using DC magnetron sputtering. The structures, surface morphology and transformation temperatures of annealed thin films at 500 °C for 15 min and 1 h were studied using grazing incidence X-ray diffraction, transmission electron microscopy (TEM), atomic force microscopy and differential scanning calorimetry (DSC), respectively. Nanoindentation was used to characterize the mechanical properties. The DSC and X-ray diffraction results indicated the austenitic structure of the Ni{sub 50.8}Ti{sub 49.2} and martensitic structure of the Ni{sub 45}Ti{sub 50}Cu{sub 5} thin films while the bi-layer was composed of austenitic and martensitic thin films. TEM study revealed that copper encourages crystallization in the bi-layer such that crystal structure containing nano-precipitates in the Ni{sub 45}Ti{sub 50}Cu{sub 5} layer was detected after 15 min annealing while the Ni{sub 50.8}Ti{sub 49.2} layer crystallized after 60 min at 500 °C. Furthermore, after annealing at 500 °C for 15 min, a precipitate free zone and thin layer amorphous were observed closely to the interface in the top layer. The bi-layer was completely crystallized at 500 °C for 1 h and the orientation of the Ni-rich precipitates indicated a stress gradient in the bi-layer. The bi-layer thin film showed different transformation temperatures and mechanical behavior from the single-layers. The developed bi-layer has different phase transformation temperatures, the higher temperatures of shape memory effect and lower temperature of pseudo-elastic behavior compared to the single-layers. Also, the bi-layer thin film exhibited a combined pseudo-elastic behavior and shape memory effect with a reduced

  9. Bilayer graphene quantum dot defined by topgates

    Energy Technology Data Exchange (ETDEWEB)

    Müller, André; Kaestner, Bernd; Hohls, Frank; Weimann, Thomas; Pierz, Klaus; Schumacher, Hans W., E-mail: hans.w.schumacher@ptb.de [Physikalisch-Technische Bundesanstalt, Bundesallee 100, 38116 Braunschweig (Germany)

    2014-06-21

    We investigate the application of nanoscale topgates on exfoliated bilayer graphene to define quantum dot devices. At temperatures below 500 mK, the conductance underneath the grounded gates is suppressed, which we attribute to nearest neighbour hopping and strain-induced piezoelectric fields. The gate-layout can thus be used to define resistive regions by tuning into the corresponding temperature range. We use this method to define a quantum dot structure in bilayer graphene showing Coulomb blockade oscillations consistent with the gate layout.

  10. The Integrin Receptor in Biologically Relevant Bilayers

    DEFF Research Database (Denmark)

    Kalli, Antreas C.; Róg, Tomasz; Vattulainen, Ilpo

    2017-01-01

    /talin complex was inserted in biologically relevant bilayers that resemble the cell plasma membrane containing zwitterionic and charged phospholipids, cholesterol and sphingolipids to study the dynamics of the integrin receptor and its effect on bilayer structure and dynamics. The results of this study...... demonstrate the dynamic nature of the integrin receptor and suggest that the presence of the integrin receptor alters the lipid organization between the two leaflets of the bilayer. In particular, our results suggest elevated density of cholesterol and of phosphatidylserine lipids around the integrin....../talin complex and a slowing down of lipids in an annulus of ~30 Å around the protein due to interactions between the lipids and the integrin/talin F2–F3 complex. This may in part regulate the interactions of integrins with other related proteins or integrin clustering thus facilitating signal transduction...

  11. Protein Structure Determination Using Chemical Shifts

    DEFF Research Database (Denmark)

    Christensen, Anders Steen

    is determined using only chemical shifts recorded and assigned through automated processes. The CARMSD to the experimental X-ray for this structure is 1.1. Å. Additionally, the method is combined with very sparse NOE-restraints and evolutionary distance restraints and tested on several protein structures >100...

  12. TEM and TED investigation of Ag/PbTe thin film bilayers.

    Science.gov (United States)

    Mandrino, Đorđe; Marinković, V.

    Morphology and phase structure of Ag/PbTe thin film bilayers were investigated. This system was of particular interest because of interfacial reaction observed previously in an analogous Ag/SnTe system. Reaction products due to the interdiffusion of Ag with the substrate were determined as well as their orientations. They were discussed in view of the reaction products' structural relations to the PbTe.

  13. Fluid Phase Lipid Areas and Bilayer Thicknesses of Commonly Used Phosphatidylcholines as a Function of Temperature

    International Nuclear Information System (INIS)

    Kucerka, Norbert; Nieh, Mu-Ping; Katsaras, John

    2011-01-01

    The structural parameters of fluid phase bilayers composed of phosphatidylcholines with fully saturated, mixed, and branched fatty acid chains, at several temperatures, have been determined by simultaneously analyzing small-angle neutron and X-ray scattering data. Bilayer parameters, such as area per lipid and overall bilayer thickness have been obtained in conjunction with intrabilayer structural parameters (e.g. hydrocarbon region thickness). The results have allowed us to assess the effect of temperature and hydrocarbon chain composition on bilayer structure. For example, we found that for all lipids there is, not surprisingly, an increase in fatty acid chain trans-gauche isomerization with increasing temperature. Moreover, this increase in trans-gauche isomerization scales with fatty acid chain length in mixed chain lipids. However, in the case of lipids with saturated fatty acid chains, trans-gauche isomerization is increasingly tempered by attractive chain-chain van der Waals interactions with increasing chain length. Finally, our results confirm a strong dependence of lipid chain dynamics as a function of double bond position along fatty acid chains.

  14. Probing Lipid Bilayers under Ionic Imbalance.

    Science.gov (United States)

    Lin, Jiaqi; Alexander-Katz, Alfredo

    2016-12-06

    Biological membranes are normally under a resting transmembrane potential (TMP), which originates from the ionic imbalance between extracellular fluids and cytosols, and serves as electric power storage for cells. In cell electroporation, the ionic imbalance builds up a high TMP, resulting in the poration of cell membranes. However, the relationship between ionic imbalance and TMP is not clearly understood, and little is known about the effect of ionic imbalance on the structure and dynamics of biological membranes. In this study, we used coarse-grained molecular dynamics to characterize a dipalmitoylphosphatidylcholine bilayer system under ionic imbalances ranging from 0 to ∼0.06 e charges per lipid (e/Lip). We found that the TMP displayed three distinct regimes: 1) a linear regime between 0 and 0.045 e/Lip, where the TMP increased linearly with ionic imbalance; 2) a yielding regime between ∼0.045 and 0.060 e/Lip, where the TMP displayed a plateau; and 3) a poration regime above ∼0.060 e/Lip, where we observed pore formation within the sampling time (80 ns). We found no structural changes in the linear regime, apart from a nonlinear increase in the area per lipid, whereas in the yielding regime the bilayer exhibited substantial thinning, leading to an excess of water and Na + within the bilayer, as well as significant misalignment of the lipid tails. In the poration regime, lipid molecules diffused slightly faster. We also found that the fluid-to-gel phase transition temperature of the bilayer dropped below the normal value with increased ionic imbalances. Our results show that a high ionic imbalance can substantially alter the essential properties of the bilayer, making the bilayer more fluid like, or conversely, depolarization of a cell could in principle lead to membrane stiffening. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  15. Topological transformation of a surfactant bilayer

    DEFF Research Database (Denmark)

    Le, T.D.; Olsson, U.; Mortensen, K.

    2000-01-01

    Surfactant lamellar phases are often complicated by the formation of multilamellar (onions) under shear, which can originate simply by shaking the sample. A systematic study has been performed on the C10E3-D2O system in which different bilayer structures under a steady shear flow were investigated...

  16. Effect of Ring Size in ω-Alicyclic Fatty Acids on the Structural and Dynamical Properties Associated with Fluidity in Lipid Bilayers.

    Science.gov (United States)

    Poger, David; Mark, Alan E

    2015-10-27

    Fatty acids containing a terminal cyclic group such as cyclohexyl and cycloheptyl are commonly found in prokaryotic membranes, especially in those of thermo-acidophilic bacteria. These so-called ω-alicyclic fatty acids have been proposed to stabilize the membranes of bacteria by reducing the fluidity in membranes and increasing lipid packing and lipid chain order. In this article, molecular dynamics simulations are used to examine the effect of 3- to 7-membered cycloalkyl saturated and unsaturated (cyclopent-2-enyl and phenyl) rings in ω-alicyclic fatty acyl chains on the structure (lipid packing, lipid chain order, and fraction of gauche defects in the chains) and dynamics (lateral lipid diffusion) of a model lipid bilayer. It was found that ω-alicyclic chains in which the ring was saturated reduced lipid condensation and lowered chain order which would be associated with enhanced fluidity. However, this effect was limited. The lateral diffusion of the lipids diminished as the ring size increased. In particular, ω-cyclohexyl and ω-cycloheptyl acyl tails led to a decrease in lipid diffusion. In contrast, ω-alicyclic acyl chains that contain an unsaturated ring promoted membrane fluidity both in terms of changes in membrane structure and lipid diffusion. This may indicate that saturated and unsaturated terminal rings in ω-alicyclic fatty acids fulfill alternative functions within membranes. Overall, the simulations suggest that ω-alicyclic fatty acids in which the terminal ring is saturated might protect the membrane of thermo-acidophilic bacteria from high-temperature and low-pH conditions through a "dynamical barrier" that would limit lipid diffusion and transmembrane diffusion of undesired ions and molecules.

  17. Capital Structure Determinants and Governance Structure Variety in Franchising

    NARCIS (Netherlands)

    T. Jiang (Tao)

    2009-01-01

    textabstractThis thesis investigates two questions: the determinants of capital structure in franchising and its subsequent impact on the franchise financing decisions; and the efficient governance structure choice in franchising. We posit that firms franchise in order to benefit from the reduced

  18. Advances on surface structural determination by LEED

    International Nuclear Information System (INIS)

    Soares, Edmar A; De Carvalho, Vagner E; De Castilho, Caio M C

    2011-01-01

    In the last 40 years, low energy electron diffraction (LEED) has proved to be the most reliable quantitative technique for surface structural determination. In this review, recent developments related to the theory that gives support to LEED structural determination are discussed under a critical analysis of the main theoretical approximation-the muffin-tin calculation. The search methodologies aimed at identifying the best matches between theoretical and experimental intensity versus voltage curves are also considered, with the most recent procedures being reviewed in detail. (topical review)

  19. "Nanocrystal bilayer for tandem catalysis"

    Energy Technology Data Exchange (ETDEWEB)

    Yamada, Yusuke; Tsung, Chia Kuang; Huang, Wenyu; Huo, Ziyang; E.Habas, Susan E; Soejima, Tetsuro; Aliaga, Cesar E; Samorjai, Gabor A; Yang, Peidong

    2011-01-24

    Supported catalysts are widely used in industry and can be optimized by tuning the composition and interface of the metal nanoparticles and oxide supports. Rational design of metal-metal oxide interfaces in nanostructured catalysts is critical to achieve better reaction activities and selectivities. We introduce here a new class of nanocrystal tandem catalysts that have multiple metal-metal oxide interfaces for the catalysis of sequential reactions. We utilized a nanocrystal bilayer structure formed by assembling platinum and cerium oxide nanocube monolayers of less than 10 nm on a silica substrate. The two distinct metal-metal oxide interfaces, CeO2-Pt and Pt-SiO2, can be used to catalyse two distinct sequential reactions. The CeO2-Pt interface catalysed methanol decomposition to produce CO and H2, which were subsequently used for ethylene hydroformylation catalysed by the nearby Pt-SiO2 interface. Consequently, propanal was produced selectively from methanol and ethylene on the nanocrystal bilayer tandem catalyst. This new concept of nanocrystal tandem catalysis represents a powerful approach towards designing high-performance, multifunctional nanostructured catalysts

  20. Bifurcation of self-folded polygonal bilayers

    Science.gov (United States)

    Abdullah, Arif M.; Braun, Paul V.; Hsia, K. Jimmy

    2017-09-01

    Motivated by the self-assembly of natural systems, researchers have investigated the stimulus-responsive curving of thin-shell structures, which is also known as self-folding. Self-folding strategies not only offer possibilities to realize complicated shapes but also promise actuation at small length scales. Biaxial mismatch strain driven self-folding bilayers demonstrate bifurcation of equilibrium shapes (from quasi-axisymmetric doubly curved to approximately singly curved) during their stimulus-responsive morphing behavior. Being a structurally instable, bifurcation could be used to tune the self-folding behavior, and hence, a detailed understanding of this phenomenon is appealing from both fundamental and practical perspectives. In this work, we investigated the bifurcation behavior of self-folding bilayer polygons. For the mechanistic understanding, we developed finite element models of planar bilayers (consisting of a stimulus-responsive and a passive layer of material) that transform into 3D curved configurations. Our experiments with cross-linked Polydimethylsiloxane samples that change shapes in organic solvents confirmed our model predictions. Finally, we explored a design scheme to generate gripper-like architectures by avoiding the bifurcation of stimulus-responsive bilayers. Our research contributes to the broad field of self-assembly as the findings could motivate functional devices across multiple disciplines such as robotics, artificial muscles, therapeutic cargos, and reconfigurable biomedical devices.

  1. Analysis of the sintering stresses and shape distortion produced in co-firing of CGO-LSM/CGO bi-layer porous structures

    DEFF Research Database (Denmark)

    Ni, De Wei; Esposito, Vincenzo; Schmidt, Cristine Grings

    such as cracks, de-lamination and shape distortion can result as a consequence of sintering mismatch stresses caused by the strain rate difference between layers. This work seeks to understand the underlying mechanisms that occur during the co-firing of porous CGO-LSM/CGO bi-layer laminates, by evaluating...... the sintering mismatch stress and distortion development through modeling and experiments....

  2. Possible influence of the ferromagnetic/antiferromagnetic interface on the effective critical behavior of bilayers based on La{sub 1−x}Sr{sub x}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Álvarez Miño, Lucero, E-mail: lalvarezm@unal.edu.co [Universidad Nacional de Colombia, Sede Manizales, Cra. 27 #64-60, Manizales (Colombia); Grupo de Superconductividad y Nuevos Materiales, Universidad Nacional de Colombia, Sede Bogotá, Avenida Carrera 30 #45, Bogotá (Colombia); Mulcué-Nieto, Luis Fernando, E-mail: lfmulcuen@unal.edu.co [Laboratorio de Magnetismo y Materiales Avanzados, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Colombia, Sede Manizales, Cra. 27 #64-60, Manizales (Colombia)

    2015-03-01

    In this work, the effective critical exponent of the spontaneous magnetization, β, and the transition temperature, T{sub C}, were calculated from magnetization measurements of three bilayers based on La{sub 1−x}Sr{sub x}MnO{sub 3} (LSMO). The bilayers structure is a ferromagnetic (FM) LSMO film grown on top of an antiferromagnetic (AF) LSMO film. The value of the antiferromagnetic film thickness was kept the same for the three samples, while the ferromagnetic film had different thickness for each bilayer. Applying a method of calculation based on a linear superposition of the magnetization close to the critical temperature, a β value corresponding to the 3D Ising model was found for the bilayer with the thinnest ferromagnetic film. This result, and the other obtained values are explained taking into account the possible influence of the FM/AF interface on the magnetic and crystal orderings. - Highlights: • The critical exponent β of three LSMO bilayers was determined. • Two bilayers with the thinner FM layer have very similar transition temperature. • Two bilayers with the thinner FM layer have very similar width values. • We have found values of β of the 3D Ising model. • Interface also seems to be responsible for some structural disorder.

  3. Representing Personal Determinants in Causal Structures.

    Science.gov (United States)

    Bandura, Albert

    1984-01-01

    Responds to Staddon's critique of the author's earlier article and addresses issues raised by Staddon's (1984) alternative models of causality. The author argues that it is not the formalizability of causal processes that is the issue but whether cognitive determinants of behavior are reducible to past stimulus inputs in causal structures.…

  4. Capital Structure Determinants and Governance Structure Variety in Franchising

    OpenAIRE

    Jiang, Tao

    2009-01-01

    textabstractThis thesis investigates two questions: the determinants of capital structure in franchising and its subsequent impact on the franchise financing decisions; and the efficient governance structure choice in franchising. We posit that firms franchise in order to benefit from the reduced franchisees’ operational risks by limiting the debt level, such that the franchisor can bear more debt and gain tax-deduction benefits. Specific hypotheses are based on various theories like resource...

  5. The effects of ethylene oxide containing lipopolymers and tri-block copolymers on lipid bilayers of dipalmitoylphosphatidylcholine

    DEFF Research Database (Denmark)

    Baekmark, T. R.; Pedersen, S.; Jorgensen, K.

    1997-01-01

    oxide moity, anchored to the bilayer by a 1,2-dioctadecanoyl-s,n-glycero-3-phosphoethanolamine (DC18PE) lipid. The second type, which is a novel type of membrane-spanning object, is an amphiphilic tri-block copolymer composed of two hydrophilic stretches of polyethylene oxide separated by a hydrophobic...... stretch of polystyrene. Hence the tri-block copolymer may act as a membrane-spanning macromolecule mimicking an amphiphilic protein or polypeptide. Differential scanning calorimetry is used to determine a partial phase diagram for the lipopolymer systems and to assess the amount of lipopolymer that can...... be loaded into DC16PC lipid bilayers before micellization takes place. Unilamellar and micellar phase structures are investigated by fluorescence quenching using bilayer permeating dithionite. The chain length-dependent critical lipopolymer concentration, denoting the lamellar-to-micellar phase transition...

  6. Large-scale uniform bilayer graphene prepared by vacuum graphitization of 6H-SiC(0001) substrates

    Science.gov (United States)

    Wang, Qingyan; Zhang, Wenhao; Wang, Lili; He, Ke; Ma, Xucun; Xue, Qikun

    2013-03-01

    We report on the preparation of large-scale uniform bilayer graphenes on nominally flat Si-polar 6H-SiC(0001) substrates by flash annealing in ultrahigh vacuum. The resulting graphenes have a single thickness of one bilayer and consist of regular terraces separated by the triple SiC bilayer steps on the 6H-SiC(0001) substrates. In situ scanning tunneling microscopy reveals that suppression of pit formation on terraces and uniformity of SiC decomposition at step edges are the key factors to the uniform thickness. By studying the surface morphologies prepared under different annealing rates, it is found that the annealing rate is directly related to SiC decomposition, diffusion of the released Si/C atoms and strain relaxation, which together determine the final step structure and density of defects.

  7. Dual roles of a flouride-doped SnO2/TiO2 bilayer based on inverse opal/nanoparticle structure for water oxidation

    Science.gov (United States)

    Yun, Gun; Balamurugan, Maheswari; Ahn, Kwang-Soon; Lee, Sang-Kwon; Kang, Soon Hyung; Lim, Dong-Ha

    2018-01-01

    Fluorine-doped tin dioxide (FTO) inverse opals (IOs) were fabricated on a template of polystyrene (PS) beads (diameter = 400 nm (±20 nm)) by using a spin-coating method. The concentration of the FTO precursor, in particular, the 1.0 M FTO concentration solution significantly influenced the morphology of the IO film. The FTO nanoparticles upon the FTO IO film were sparsely formed relative to these formed from the 0.5 M FTO solution. To compensate for the large band gap ( E g = 3.8 eV) of FTO in the photoelectrochemical (PEC) reaction, we deposited a photoactive TiO2 shell on the FTO IO film by using the sol-gel method. The morphological change and the crystalline properties of the FTO IO and TiO2-coated FTO IO (hereafter referred to as FTO IO/TiO2) films, were investigated with field emission scanning electron microscopy and X-ray diffraction, respectively. The PEC behaviors of the samples were tested in a 0.1 M KOH solution under one sun illumination (100 mW/cm2 with an AM 1.5 filter). The highest PEC performance was obtained with the 1.0 M FTO IO/TiO2 film, which produced a photocurrent density (Jsc) of 3.28 mA/cm2 at 1.23 V (vs. normal hydrogen electrode (NHE), as briefly expressed to 1.23 VNHE) compared to 2.42 mA/cm2 at 1.23 VNHE with the 0.5 M FTO IO/TiO2 film. The approximately 30% enhanced performance of the 1.0 M FTO IO/TiO2 film was mainly attributed to the peculiar structure comprised of the FTO nanoparticle layer and IO films to form a bilayer structure, providing a much larger surface area, as well as complete coverage of the photoactive TiO2 nanoparticles through the FTO IO skeleton in the proper band alignment to boost the charge separation/transfer phenomenon, finally resulting in the enhanced PEC activity.

  8. Unconventional fractional quantum Hall effect in monolayer and bilayer graphene

    Science.gov (United States)

    Jacak, Janusz; Jacak, Lucjan

    2016-01-01

    The commensurability condition is applied to determine the hierarchy of fractional fillings of Landau levels in monolayer and in bilayer graphene. The filling rates for fractional quantum Hall effect (FQHE) in graphene are found in the first three Landau levels in one-to-one agreement with the experimental data. The presence of even denominator filling fractions in the hierarchy for FQHE in bilayer graphene is explained. Experimentally observed hierarchy of FQHE in the first and second Landau levels in monolayer graphene and in the zeroth Landau level in bilayer graphene is beyond the conventional composite fermion interpretation but fits to the presented nonlocal topology commensurability condition. PMID:27877866

  9. Potassium-doped n-type bilayer graphene

    Science.gov (United States)

    Yamada, Takatoshi; Okigawa, Yuki; Hasegawa, Masataka

    2018-01-01

    Potassium-doped n-type bilayer graphene was obtained. Chemical vapor deposited bilayer and single layer graphene on copper (Cu) foils were used. After etching of Cu foils, graphene was dipped in potassium hydroxide aqueous solutions to dope potassium. Graphene on silicon oxide was characterized by X-ray photoelectron spectroscopy (XPS), energy dispersive X-ray spectroscopy (EDX), and Raman spectroscopy. Both XPS and EDX spectra indicated potassium incorporation into the bilayer graphene via intercalation between the graphene sheets. The downward shift of the 2D peak position of bilayer graphene after the potassium hydroxide (KOH) treatment was confirmed in Raman spectra, indicating that the KOH-treated bilayer graphene was doped with electrons. Electrical properties were measured using Hall bar structures. The Dirac points of bilayer graphene were shifted from positive to negative by the KOH treatment, indicating that the KOH-treated bilayer graphene was n-type conduction. For single layer graphene after the KOH treatment, although electron doping was confirmed from Raman spectra, the peak of potassium in the X-ray photoelectron spectroscopy (XPS) spectrum was not detected. The Dirac points of single layer graphene with and without the KOH treatment showed positive.

  10. Pair interaction of bilayer-coated nanoscopic particles

    International Nuclear Information System (INIS)

    Qi-Yi, Zhang

    2009-01-01

    The pair interaction between bilayer membrane-coated nanosized particles has been explored by using the self-consistent field (SCF) theory. The bilayer membranes are composed of amphiphilic polymers. For different system parameters, the pair-interaction free energies are obtained. Particular emphasis is placed on the analysis of a sequence of structural transformations of bilayers on spherical particles, which occur during their approaching processes. For different head fractions of amphiphiles, the asymmetrical morphologies between bilayers on two particles and the inverted micellar intermediates have been found in the membrane fusion pathway. These results can benefit the fabrication of vesicles as encapsulation vectors for drug and gene delivery. (condensed matter: structure, thermal and mechanical properties)

  11. Simultaneous determination of protein structure and dynamics

    DEFF Research Database (Denmark)

    Lindorff-Larsen, Kresten; Best, Robert B.; DePristo, M. A.

    2005-01-01

    at the atomic level about the structural and dynamical features of proteins-with the ability of molecular dynamics simulations to explore a wide range of protein conformations. We illustrate the method for human ubiquitin in solution and find that there is considerable conformational heterogeneity throughout......We present a protocol for the experimental determination of ensembles of protein conformations that represent simultaneously the native structure and its associated dynamics. The procedure combines the strengths of nuclear magnetic resonance spectroscopy-for obtaining experimental information...... the protein structure. The interior atoms of the protein are tightly packed in each individual conformation that contributes to the ensemble but their overall behaviour can be described as having a significant degree of liquid-like character. The protocol is completely general and should lead to significant...

  12. High Resolution Powder Diffraction and Structure Determination

    International Nuclear Information System (INIS)

    Cox, D. E.

    1999-01-01

    It is clear that high-resolution synchrotrons X-ray powder diffraction is a very powerful and convenient tool for material characterization and structure determination. Most investigations to date have been carried out under ambient conditions and have focused on structure solution and refinement. The application of high-resolution techniques to increasingly complex structures will certainly represent an important part of future studies, and it has been seen how ab initio solution of structures with perhaps 100 atoms in the asymmetric unit is within the realms of possibility. However, the ease with which temperature-dependence measurements can be made combined with improvements in the technology of position-sensitive detectors will undoubtedly stimulate precise in situ structural studies of phase transitions and related phenomena. One challenge in this area will be to develop high-resolution techniques for ultra-high pressure investigations in diamond anvil cells. This will require highly focused beams and very precise collimation in front of the cell down to dimensions of 50 (micro)m or less. Anomalous scattering offers many interesting possibilities as well. As a means of enhancing scattering contrast it has applications not only to the determination of cation distribution in mixed systems such as the superconducting oxides discussed in Section 9.5.3, but also to the location of specific cations in partially occupied sites, such as the extra-framework positions in zeolites, for example. Another possible application is to provide phasing information for ab initio structure solution. Finally, the precise determination of f as a function of energy through an absorption edge can provide useful information about cation oxidation states, particularly in conjunction with XANES data. In contrast to many experiments at a synchrotron facility, powder diffraction is a relatively simple and user-friendly technique, and most of the procedures and software for data analysis

  13. Tunneling Plasmonics in Bilayer Graphene.

    Science.gov (United States)

    Fei, Z; Iwinski, E G; Ni, G X; Zhang, L M; Bao, W; Rodin, A S; Lee, Y; Wagner, M; Liu, M K; Dai, S; Goldflam, M D; Thiemens, M; Keilmann, F; Lau, C N; Castro-Neto, A H; Fogler, M M; Basov, D N

    2015-08-12

    We report experimental signatures of plasmonic effects due to electron tunneling between adjacent graphene layers. At subnanometer separation, such layers can form either a strongly coupled bilayer graphene with a Bernal stacking or a weakly coupled double-layer graphene with a random stacking order. Effects due to interlayer tunneling dominate in the former case but are negligible in the latter. We found through infrared nanoimaging that bilayer graphene supports plasmons with a higher degree of confinement compared to single- and double-layer graphene, a direct consequence of interlayer tunneling. Moreover, we were able to shut off plasmons in bilayer graphene through gating within a wide voltage range. Theoretical modeling indicates that such a plasmon-off region is directly linked to a gapped insulating state of bilayer graphene, yet another implication of interlayer tunneling. Our work uncovers essential plasmonic properties in bilayer graphene and suggests a possibility to achieve novel plasmonic functionalities in graphene few-layers.

  14. Lipid bilayers suspended on microfabricated supports

    Science.gov (United States)

    Ogier, Simon D.; Bushby, Richard J.; Cheng, Yaling; Cox, Tim I.; Evans, Stephen D.; Knowles, Peter F.; Miles, Robert E.; Pattison, Ian

    2001-03-01

    The plasma membrane, that exists as part of many animal and plant cells, is a regulator for the transport of ions and small molecules across cell boundaries. Two main components involved are the phospholipid bilayer and the transport proteins. This paper details the construction of a micromachined support for bilayers (MSB) as a first step towards the development of highly selective and highly sensitive ion-channel based biosensors. The device consists of a ~100 micrometer hole in a polymeric support above a cavity that can hold ~25 nL of electrolyte. Electrodes attached to the structure allow the resistance of the membranes to be measured using d.c. conductivity. The MSB is made in two halves, using SU8 ultra-thick resist, which are subsequently bonded together to make the final structure. A layer of gold, surrounding the aperture, enables self-assembled monolayers of alkanethiols to be used to make the polymeric structure biocompatible. Lipid membranes have been formed over these holes with resistances comparable with those of natural membranes >10 MOhmcm^2. The ion-channel gramicidin has successfully been incorporated into the bilayer and its activity monitored. It is proposed that this type of device could be used not only for studying membrane transport phenomena but also as part of an ion-channel based biosensor.

  15. Robustly Engineering Thermal Conductivity of Bilayer Graphene by Interlayer Bonding

    Science.gov (United States)

    Zhang, Xiaoliang; Gao, Yufei; Chen, Yuli; Hu, Ming

    2016-01-01

    Graphene and its bilayer structure are the two-dimensional crystalline form of carbon, whose extraordinary electron mobility and other unique features hold great promise for nanoscale electronics and photonics. Their realistic applications in emerging nanoelectronics usually call for thermal transport manipulation in a controllable and precise manner. In this paper we systematically studied the effect of interlayer covalent bonding, in particular different interlay bonding arrangement, on the thermal conductivity of bilayer graphene using equilibrium molecular dynamics simulations. It is revealed that, the thermal conductivity of randomly bonded bilayer graphene decreases monotonically with the increase of interlayer bonding density, however, for the regularly bonded bilayer graphene structure the thermal conductivity possesses unexpectedly non-monotonic dependence on the interlayer bonding density. The results suggest that the thermal conductivity of bilayer graphene depends not only on the interlayer bonding density, but also on the detailed topological configuration of the interlayer bonding. The underlying mechanism for this abnormal phenomenon is identified by means of phonon spectral energy density, participation ratio and mode weight factor analysis. The large tunability of thermal conductivity of bilayer graphene through rational interlayer bonding arrangement paves the way to achieve other desired properties for potential nanoelectronics applications involving graphene layers. PMID:26911859

  16. High Yield Chemical Vapor Deposition Growth of High Quality Large-Area AB Stacked Bilayer Graphene

    Science.gov (United States)

    Liu, Lixin; Zhou, Hailong; Cheng, Rui; Yu, Woo Jong; Liu, Yuan; Chen, Yu; Shaw, Jonathan; Zhong, Xing; Huang, Yu; Duan, Xiangfeng

    2012-01-01

    Bernal stacked (AB stacked) bilayer graphene is of significant interest for functional electronic and photonic devices due to the feasibility to continuously tune its band gap with a vertical electrical field. Mechanical exfoliation can be used to produce AB stacked bilayer graphene flakes but typically with the sizes limited to a few micrometers. Chemical vapor deposition (CVD) has been recently explored for the synthesis of bilayer graphene but usually with limited coverage and a mixture of AB and randomly stacked structures. Herein we report a rational approach to produce large-area high quality AB stacked bilayer graphene. We show that the self-limiting effect of graphene growth on Cu foil can be broken by using a high H2/CH4 ratio in a low pressure CVD process to enable the continued growth of bilayer graphene. A high temperature and low pressure nucleation step is found to be critical for the formation of bilayer graphene nuclei with high AB stacking ratio. A rational design of a two-step CVD process is developed for the growth of bilayer graphene with high AB stacking ratio (up to 90 %) and high coverage (up to 99 %). The electrical transport studies demonstrated that devices made of the as-grown bilayer graphene exhibit typical characteristics of AB stacked bilayer graphene with the highest carrier mobility exceeding 4,000 cm2/V·s at room temperature, comparable to that of the exfoliated bilayer graphene. PMID:22906199

  17. Bursting Bubbles and Bilayers

    Directory of Open Access Journals (Sweden)

    Steven P. Wrenn, Stephen M. Dicker, Eleanor F. Small, Nily R. Dan, Michał Mleczko, Georg Schmitz, Peter A. Lewin

    2012-01-01

    Full Text Available This paper discusses various interactions between ultrasound, phospholipid monolayer-coated gas bubbles, phospholipid bilayer vesicles, and cells. The paper begins with a review of microbubble physics models, developed to describe microbubble dynamic behavior in the presence of ultrasound, and follows this with a discussion of how such models can be used to predict inertial cavitation profiles. Predicted sensitivities of inertial cavitation to changes in the values of membrane properties, including surface tension, surface dilatational viscosity, and area expansion modulus, indicate that area expansion modulus exerts the greatest relative influence on inertial cavitation. Accordingly, the theoretical dependence of area expansion modulus on chemical composition - in particular, poly (ethylene glyclol (PEG - is reviewed, and predictions of inertial cavitation for different PEG molecular weights and compositions are compared with experiment. Noteworthy is the predicted dependence, or lack thereof, of inertial cavitation on PEG molecular weight and mole fraction. Specifically, inertial cavitation is predicted to be independent of PEG molecular weight and mole fraction in the so-called mushroom regime. In the “brush” regime, however, inertial cavitation is predicted to increase with PEG mole fraction but to decrease (to the inverse 3/5 power with PEG molecular weight. While excellent agreement between experiment and theory can be achieved, it is shown that the calculated inertial cavitation profiles depend strongly on the criterion used to predict inertial cavitation. This is followed by a discussion of nesting microbubbles inside the aqueous core of microcapsules and how this significantly increases the inertial cavitation threshold. Nesting thus offers a means for avoiding unwanted inertial cavitation and cell death during imaging and other applications such as sonoporation. A review of putative sonoporation mechanisms is then presented

  18. Electrostatically confined quantum rings in bilayer graphene.

    Science.gov (United States)

    Zarenia, M; Pereira, J M; Peeters, F M; Farias, G A

    2009-12-01

    We propose a new system where electron and hole states are electrostatically confined into a quantum ring in bilayer graphene. These structures can be created by tuning the gap of the graphene bilayer using nanostructured gates or by position-dependent doping. The energy levels have a magnetic field (B(0)) dependence that is strikingly distinct from that of usual semiconductor quantum rings. In particular, the eigenvalues are not invariant under a B(0) --> -B(0) transformation and, for a fixed total angular momentum index m, their field dependence is not parabolic, but displays two minima separated by a saddle point. The spectra also display several anticrossings, which arise due to the overlap of gate-confined and magnetically confined states.

  19. The impact of resveratrol in lipid bilayers

    DEFF Research Database (Denmark)

    Shen, Chen; de Ghellinck, Alexis; Fragneto, Giovanna

    The natural antioxidant resveratrol, contained in the skin of red grape and accordingly in their wines, is hold liable for health impacts such as cardiovascular protection and anti-oxidative effect. Clinical trials of resveratrol as prophylactic or even therapeutic drug are ongoing. However, basic...... knowledge on its probable working mechanism is rare. In this biophysical study, neutron reflectometry was used to investigate the direct impact of resveratrol on lipid membranes with solid supported bilayers. When interacting with di- palmitoyl-phosphatidyl-choline (DPPC) bilayers, resveratrol accumulates...... in between the headgroups but is absent in the hydrophobic core. Without a biogenic removal mechanism, the headgroup region may host up to ~25 mol% of resveratrol. The average thickness and the interfacial roughness of the headgroup layer are increased. From the structural results, the average tilting...

  20. Topological Quantum Phase Transitions in Two-Dimensional Hexagonal Lattice Bilayers

    Science.gov (United States)

    Zhai, Xuechao; Jin, Guojun

    2013-09-01

    Since the successful fabrication of graphene, two-dimensional hexagonal lattice structures have become a research hotspot in condensed matter physics. In this short review, we theoretically focus on discussing the possible realization of a topological insulator (TI) phase in systems of graphene bilayer (GBL) and boron nitride bilayer (BNBL), whose band structures can be experimentally modulated by an interlayer bias voltage. Under the bias, a band gap can be opened in AB-stacked GBL but is still closed in AA-stacked GBL and significantly reduced in AA- or AB-stacked BNBL. In the presence of spin-orbit couplings (SOCs), further demonstrations indicate whether the topological quantum phase transition can be realized strongly depends on the stacking orders and symmetries of structures. It is observed that a bulk band gap can be first closed and then reopened when the Rashba SOC increases for gated AB-stacked GBL or when the intrinsic SOC increases for gated AA-stacked BNBL. This gives a distinct signal for a topological quantum phase transition, which is further characterized by a jump of the ℤ2 topological invariant. At fixed SOCs, the TI phase can be well switched by the interlayer bias and the phase boundaries are precisely determined. For AA-stacked GBL and AB-stacked BNBL, no strong TI phase exists, regardless of the strength of the intrinsic or Rashba SOCs. At last, a brief overview is given on other two-dimensional hexagonal materials including silicene and molybdenum disulfide bilayers.

  1. Structure determination by X-ray crystallography

    CERN Document Server

    Ladd, M F C

    1977-01-01

    Crystallography may be described as the science of the structure of materi­ als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal­ lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post­ graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain ...

  2. Predicting proton titration in cationic micelle and bilayer environments

    Science.gov (United States)

    Morrow, Brian H.; Eike, David M.; Murch, Bruce P.; Koenig, Peter H.; Shen, Jana K.

    2014-08-01

    Knowledge of the protonation behavior of pH-sensitive molecules in micelles and bilayers has significant implications in consumer product development and biomedical applications. However, the calculation of pKa's in such environments proves challenging using traditional structure-based calculations. Here we apply all-atom constant pH molecular dynamics with explicit ions and titratable water to calculate the pKa of a fatty acid molecule in a micelle of dodecyl trimethylammonium chloride and liquid as well as gel-phase bilayers of diethyl ester dimethylammonium chloride. Interestingly, the pKa of the fatty acid in the gel bilayer is 5.4, 0.4 units lower than that in the analogous liquid bilayer or micelle, despite the fact that the protonated carboxylic group is significantly more desolvated in the gel bilayer. This work illustrates the capability of all-atom constant pH molecular dynamics in capturing the delicate balance in the free energies of desolvation and Coulombic interactions. It also shows the importance of the explicit treatment of ions in sampling the protonation states. The ability to model dynamics of pH-responsive substrates in a bilayer environment is useful for improving fabric care products as well as our understanding of the side effects of anti-inflammatory drugs.

  3. Interface-mediation of lipid bilayer organization and dynamics.

    Science.gov (United States)

    Mize, Hannah E; Blanchard, G J

    2016-06-22

    We report on the morphology and dynamics of planar supported lipid bilayer structures as a function of pH and ionic strength of the aqueous overlayer. Supported lipid bilayers composed of three components (phosphocholine, sphingomyelin and cholesterol) are known to exhibit phase segregation, with the characteristic domain sizes dependent on the amount and identity of each constituent, and the composition of the aqueous overlayer in contact with the bilayer. We report on fluorescence anisotropy decay imaging measurements of a rhodamine chromophore tethered to the headgroup of a phosphoethanolamine, where anisotropy decay images were acquired as a function of solution overlayer pH and ionic strength. The data reveal a two-component anisotropy decay under all conditions, with the faster time constant being largely independent of pH and ionic strength and the slower component depending on pH and ionic strength in different manners. For liposomes of the same composition, a single exponential anisotropy decay was seen. We interpret this difference in terms of bilayer curvature and support surface-bilayer interactions, and the pH and ionic strength dependencies in terms of ionic screening and protonation in the bilayer headgroup region.

  4. Predicting proton titration in cationic micelle and bilayer environments

    Energy Technology Data Exchange (ETDEWEB)

    Morrow, Brian H.; Shen, Jana K. [Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland 21201 (United States); Eike, David M.; Murch, Bruce P.; Koenig, Peter H. [Computational Chemistry, Modeling and Simulation GCO, Procter and Gamble, Cincinnati, Ohio 45201 (United States)

    2014-08-28

    Knowledge of the protonation behavior of pH-sensitive molecules in micelles and bilayers has significant implications in consumer product development and biomedical applications. However, the calculation of pK{sub a}’s in such environments proves challenging using traditional structure-based calculations. Here we apply all-atom constant pH molecular dynamics with explicit ions and titratable water to calculate the pK{sub a} of a fatty acid molecule in a micelle of dodecyl trimethylammonium chloride and liquid as well as gel-phase bilayers of diethyl ester dimethylammonium chloride. Interestingly, the pK{sub a} of the fatty acid in the gel bilayer is 5.4, 0.4 units lower than that in the analogous liquid bilayer or micelle, despite the fact that the protonated carboxylic group is significantly more desolvated in the gel bilayer. This work illustrates the capability of all-atom constant pH molecular dynamics in capturing the delicate balance in the free energies of desolvation and Coulombic interactions. It also shows the importance of the explicit treatment of ions in sampling the protonation states. The ability to model dynamics of pH-responsive substrates in a bilayer environment is useful for improving fabric care products as well as our understanding of the side effects of anti-inflammatory drugs.

  5. Determination of superlattice effect on metal–ceramic nano-structures

    Directory of Open Access Journals (Sweden)

    J.C. Caicedo

    2015-01-01

    Full Text Available Binary nitrides multilayer systems were grown on silicon (100 substrates with the aim to study the coherent assembly in HfN/VN material. Multilayers films were grown via reactive r.f. magnetron sputtering technique by systematically varying the bilayer period (Λ and the bilayer number (n while maintaining constant the total coating thickness (∼2.4 μm. The layers were characterized by high angle X-ray diffraction (HA-XRD, low angle X-ray diffraction (LA-XRD. HfN and VN layers were analyzed by X-ray photoelectron spectroscopy (XPS and electron and transmission microscopy (TEM. HA-XRD results showed preferential growth in the face-centered cubic (111 crystal structure for HfN/VN multilayer systems with the epitaxial relation (111 [100]HfN//(200 [100]VN. The maximum coherent assembly was observed with presence of satellite peaks. With this idea, ternary and binary nitrides films have been designed and deposited on Si (100 substrates with bilayer periods (Λ in a broad range, from nanometers to micrometers. The films were fabricated to study the structural evolution, coherent assembly progress and optical properties such as the critical angle, dispersion coefficient, index of refraction for HfN/VN multilayers with decreasing bilayer thickness.

  6. Biomimetic Cationic Nanoparticles Based on Silica: Optimizing Bilayer Deposition from Lipid Films

    Directory of Open Access Journals (Sweden)

    Rodrigo T. Ribeiro

    2017-10-01

    Full Text Available The optimization of bilayer coverage on particles is important for a variety of biomedical applications, such as drug, vaccine, and genetic material delivery. This work aims at optimizing the deposition of cationic bilayers on silica over a range of experimental conditions for the intervening medium and two different assemblies for the cationic lipid, namely, lipid films or pre-formed lipid bilayer fragments. The lipid adsorption on silica in situ over a range of added lipid concentrations was determined from elemental analysis of carbon, hydrogen, and nitrogen and related to the colloidal stability, sizing, zeta potential, and polydispersity of the silica/lipid nanoparticles. Superior bilayer deposition took place from lipid films, whereas adsorption from pre-formed bilayer fragments yielded limiting adsorption below the levels expected for bilayer adsorption.

  7. Self-folding graphene-polymer bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Tao [Institute of Microelectronics, Tsinghua University, Beijing 100084 (China); Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Yoon, ChangKyu [Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Jin, Qianru [Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Li, Mingen [Department of Physics, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Liu, Zewen [Institute of Microelectronics, Tsinghua University, Beijing 100084 (China); Gracias, David H., E-mail: dgracias@jhu.edu [Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States)

    2015-05-18

    In order to incorporate the extraordinary intrinsic thermal, electrical, mechanical, and optical properties of graphene with three dimensional (3D) flexible substrates, we introduce a solvent-driven self-folding approach using graphene-polymer bilayers. A polymer (SU-8) film was spin coated atop chemically vapor deposited graphene films on wafer substrates and graphene-polymer bilayers were patterned with or without metal electrodes using photolithography, thin film deposition, and etching. After patterning, the bilayers were released from the substrates and they self-folded to form fully integrated, curved, and folded structures. In contrast to planar graphene sensors on rigid substrates, we assembled curved and folded sensors that are flexible and they feature smaller form factors due to their 3D geometry and large surface areas due to their multiple rolled architectures. We believe that this approach could be used to assemble a range of high performance 3D electronic and optical devices of relevance to sensing, diagnostics, wearables, and energy harvesting.

  8. Formation of supported lipid bilayers containing phase-segregated domains and their interaction with gold nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Melby, Eric S.; Mensch, Arielle C.; Lohse, Samuel E.; Hu, Dehong; Orr, Galya; Murphy, Catherine J.; Hamers, Robert J.; Pedersen, Joel A.

    2016-01-01

    The cell membrane represents an important biological interface that nanoparticles may encounter after being released into the environment. Interaction of nanoparticles with cellular membranes may alter membrane structure and function, lead to their uptake into cells, and elicit adverse biological responses. Supported lipid bilayers have proven to be valuable ex vivo models for biological membranes, allowing investigation of their mechanisms of interaction with nanoparticles with a degree of control impossible in living cells. To date, the majority of research on nanoparticle interaction with supported lipid bilayers has employed membranes composed of single or binary mixtures of phospholipids. Cellular membranes contain a wide variety of lipids and exhibit lateral organization. Ordered membrane domains enriched in specific membrane components are referred to as lipid rafts and have not been explored with respect to their interaction with nanoparticles. Here we develop model lipid raft-containing membranes amenable to investigation by a variety of surface-sensitive analytical techniques and demonstrate that lipid rafts influence the extent of nanoparticle attachment to model membranes. We determined conditions that allow reliable formation of bilayers containing rafts enriched in sphingomyelin and cholesterol and confirmed their morphology by structured illumination and atomic force microscopies. We demonstrate that lipid rafts increase attachment of cationic gold nanoparticles to model membranes under near physiological ionic strength conditions (0.1 M NaCl) at pH 7.4. We anticipate that these results will serve as the foundation for and motivate further study of nanoparticle interaction with compositionally varied lipid rafts.

  9. Lipid Bilayer Composition Affects Transmembrane Protein Orientation and Function

    Directory of Open Access Journals (Sweden)

    Katie D. Hickey

    2011-01-01

    Full Text Available Sperm membranes change in structure and composition upon ejaculation to undergo capacitation, a molecular transformation which enables spermatozoa to undergo the acrosome reaction and be capable of fertilization. Changes to the membrane environment including lipid composition, specifically lipid microdomains, may be responsible for enabling capacitation. To study the effect of lipid environment on proteins, liposomes were created using lipids extracted from bull sperm membranes, with or without a protein (Na+ K+-ATPase or -amylase. Protein incorporation, function, and orientation were determined. Fluorescence resonance energy transfer (FRET confirmed protein inclusion in the lipid bilayer, and protein function was confirmed using a colourometric assay of phosphate production from ATP cleavage. In the native lipid liposomes, ATPase was oriented with the subunit facing the outer leaflet, while changing the lipid composition to 50% native lipids and 50% exogenous lipids significantly altered this orientation of Na+ K+-ATPase within the membranes.

  10. Nanoscale Cross-Point Resistive Switching Memory Comprising p-Type SnO Bilayers

    KAUST Repository

    Hota, Mrinal Kanti; Hedhili, Mohamed N.; Wang, Qingxiao; Melnikov, Vasily; Mohammed, Omar F.; Alshareef, Husam N.

    2015-01-01

    Reproducible low-voltage bipolar resistive switching is reported in bilayer structures of p-type SnO films. Specifically, a bilayer homojunction comprising SnOx (oxygen-rich) and SnOy (oxygen-deficient) in nanoscale cross-point (300 × 300 nm2

  11. The effect of calcium on the properties of charged phospholipid bilayers

    DEFF Research Database (Denmark)

    Pedersen, U.R.; Leidy, Chad; Westh, P.

    2006-01-01

    We have performed molecular dynamics simulations to investigate the structure and dynamics of charged bilayers as well as the distribution of counterions at the bilayer interface. For this, we have considered the negatively charged di-myristoyl-phosphatidyl-glycerol (DMPG) and di-myristoyl-phosph...

  12. Lipid bilayer-bound conformation of an integral membrane beta barrel protein by multidimensional MAS NMR

    International Nuclear Information System (INIS)

    Eddy, Matthew T.; Su, Yongchao; Silvers, Robert; Andreas, Loren; Clark, Lindsay; Wagner, Gerhard; Pintacuda, Guido; Emsley, Lyndon; Griffin, Robert G.

    2015-01-01

    The human voltage dependent anion channel 1 (VDAC) is a 32 kDa β-barrel integral membrane protein that controls the transport of ions across the outer mitochondrial membrane. Despite the determination of VDAC solution and diffraction structures, a structural basis for the mechanism of its function is not yet fully understood. Biophysical studies suggest VDAC requires a lipid bilayer to achieve full function, motivating the need for atomic resolution structural information of VDAC in a membrane environment. Here we report an essential step toward that goal: extensive assignments of backbone and side chain resonances for VDAC in DMPC lipid bilayers via magic angle spinning nuclear magnetic resonance (MAS NMR). VDAC reconstituted into DMPC lipid bilayers spontaneously forms two-dimensional lipid crystals, showing remarkable spectral resolution (0.5–0.3 ppm for 13 C line widths and <0.5 ppm 15 N line widths at 750 MHz). In addition to the benefits of working in a lipid bilayer, several distinct advantages are observed with the lipid crystalline preparation. First, the strong signals and sharp line widths facilitated extensive NMR resonance assignments for an integral membrane β-barrel protein in lipid bilayers by MAS NMR. Second, a large number of residues in loop regions were readily observed and assigned, which can be challenging in detergent-solubilized membrane proteins where loop regions are often not detected due to line broadening from conformational exchange. Third, complete backbone and side chain chemical shift assignments could be obtained for the first 25 residues, which comprise the functionally important N-terminus. The reported assignments allow us to compare predicted torsion angles for VDAC prepared in DMPC 2D lipid crystals, DMPC liposomes, and LDAO-solubilized samples to address the possible effects of the membrane mimetic environment on the conformation of the protein. Concluding, we discuss the strengths and weaknesses of the reported

  13. Accurate determination of interfacial protein secondary structure by combining interfacial-sensitive amide I and amide III spectral signals.

    Science.gov (United States)

    Ye, Shuji; Li, Hongchun; Yang, Weilai; Luo, Yi

    2014-01-29

    Accurate determination of protein structures at the interface is essential to understand the nature of interfacial protein interactions, but it can only be done with a few, very limited experimental methods. Here, we demonstrate for the first time that sum frequency generation vibrational spectroscopy can unambiguously differentiate the interfacial protein secondary structures by combining surface-sensitive amide I and amide III spectral signals. This combination offers a powerful tool to directly distinguish random-coil (disordered) and α-helical structures in proteins. From a systematic study on the interactions between several antimicrobial peptides (including LKα14, mastoparan X, cecropin P1, melittin, and pardaxin) and lipid bilayers, it is found that the spectral profiles of the random-coil and α-helical structures are well separated in the amide III spectra, appearing below and above 1260 cm(-1), respectively. For the peptides with a straight backbone chain, the strength ratio for the peaks of the random-coil and α-helical structures shows a distinct linear relationship with the fraction of the disordered structure deduced from independent NMR experiments reported in the literature. It is revealed that increasing the fraction of negatively charged lipids can induce a conformational change of pardaxin from random-coil to α-helical structures. This experimental protocol can be employed for determining the interfacial protein secondary structures and dynamics in situ and in real time without extraneous labels.

  14. Scattering Studies of Hydrophobic Monomers in Liposomal Bilayers: An Expanding Shell Model of Monomer Distribution

    International Nuclear Information System (INIS)

    Richter, Andrew; Dergunov, Sergey; Ganus, Bill; Thomas, Zachary; Pingali, Sai Venkatesh; Urban, Volker S.; Liu, Yun; Porcar, Lionel; Pinkhassik, Eugene

    2011-01-01

    Hydrophobic monomers partially phase separate from saturated lipids when loaded into lipid bilayers in amounts exceeding a 1:1 monomer/lipid molar ratio. This conclusion is based on the agreement between two independent methods of examining the structure of monomer-loaded bilayers. Complete phase separation of monomers from lipids would result in an increase in bilayer thickness and a slight increase in the diameter of liposomes. A homogeneous distribution of monomers within the bilayer would not change the bilayer thickness and would lead to an increase in the liposome diameter. The increase in bilayer thickness, measured by the combination of small-angle neutron scattering (SANS) and small-angle X-ray scattering (SAXS), was approximately half of what was predicted for complete phase separation. The increase in liposome diameter, measured by dynamic light scattering (DLS), was intermediate between values predicted for a homogeneous distribution and complete phase separation. Combined SANS, SAXS, and DLS data suggest that at a 1.2 monomer/lipid ratio approximately half of the monomers are located in an interstitial layer sandwiched between lipid sheets. These results expand our understanding of using self-assembled bilayers as scaffolds for the directed covalent assembly of organic nanomaterials. In particular, the partial phase separation of monomers from lipids corroborates the successful creation of nanothin polymer materials with uniform imprinted nanopores. Pore-forming templates do not need to span the lipid bilayer to create a pore in the bilayer-templated films.

  15. A systematic investigation and insight into the formation mechanism of bilayers of fatty acid/soap mixtures in aqueous solutions.

    Science.gov (United States)

    Xu, Wenlong; Song, Aixin; Dong, Shuli; Chen, Jingfei; Hao, Jingcheng

    2013-10-08

    Vesicles are the most common form of bilayer structures in fatty acid/soap mixtures in aqueous solutions; however, a peculiar bilayer structure called a "planar sheet" was found for the first time in the mixtures. In the past few decades, considerable research has focused on the formation theory of bilayers in fatty acid/soap mixtures. The hydrogen bond theory has been widely accepted by scientists to explain the formation of bilayers. However, except for the hydrogen bond, no other driving forces were proposed systematically. In this work, three kinds of weak interactions were investigated in detail, which could perfectly demonstrate the formation mechanism of bilayer structures in the fatty acid/soap mixtures in aqueous solutions. (i) The influence of hydrophobic interaction was detected by changing the chain length of fatty acid (C(n)H(2n+1)COOH), in which n = 10 to 18, the phase behavior was investigated, and the phase region was presented. With the help of cryogenic transmission electron microscopy (cryo-TEM) observations, deuterium nuclear magnetic resonance ((2)H NMR), and X-ray diffraction (XRD) measurements, the vesicles and planar sheets were determined. The chain length of C(n)H(2n+1)COOH has an important effect on the physical state of the hydrophobic chain, resulting in an obvious difference in the viscoelasticity of the solution samples. (ii) The existence of hydrogen bonds between fatty acids and their soaps in aqueous solutions was demonstrated by Fourier transform infrared (FT-IR) spectroscopy and molecule dynamical simulation. From the pH measurements, the pH ranges of the bilayer formation were at the pKa values of fatty acids, respectively. (iii) Counterions can be embedded in the stern layer of the bilayers and screen the electrostatic repulsion between the COO(-) anionic headgroups. FT-IR characterization demonstrated a bidentate bridging coordination mode between counterions and carboxylates. The conductivity measurements provided the degree

  16. Magnetically Assisted Bilayer Composites for Soft Bending Actuators

    Directory of Open Access Journals (Sweden)

    Sung-Hwan Jang

    2017-06-01

    Full Text Available This article presents a soft pneumatic bending actuator using a magnetically assisted bilayer composite composed of silicone polymer and ferromagnetic particles. Bilayer composites were fabricated by mixing ferromagnetic particles to a prepolymer state of silicone in a mold and asymmetrically distributed them by applying a strong non-uniform magnetic field to one side of the mold during the curing process. The biased magnetic field induces sedimentation of the ferromagnetic particles toward one side of the structure. The nonhomogeneous distribution of the particles induces bending of the structure when inflated, as a result of asymmetric stiffness of the composite. The bilayer composites were then characterized with a scanning electron microscopy and thermogravimetric analysis. The bending performance and the axial expansion of the actuator were discussed for manipulation applications in soft robotics and bioengineering. The magnetically assisted manufacturing process for the soft bending actuator is a promising technique for various applications in soft robotics.

  17. Magnetically Assisted Bilayer Composites for Soft Bending Actuators.

    Science.gov (United States)

    Jang, Sung-Hwan; Na, Seon-Hong; Park, Yong-Lae

    2017-06-12

    This article presents a soft pneumatic bending actuator using a magnetically assisted bilayer composite composed of silicone polymer and ferromagnetic particles. Bilayer composites were fabricated by mixing ferromagnetic particles to a prepolymer state of silicone in a mold and asymmetrically distributed them by applying a strong non-uniform magnetic field to one side of the mold during the curing process. The biased magnetic field induces sedimentation of the ferromagnetic particles toward one side of the structure. The nonhomogeneous distribution of the particles induces bending of the structure when inflated, as a result of asymmetric stiffness of the composite. The bilayer composites were then characterized with a scanning electron microscopy and thermogravimetric analysis. The bending performance and the axial expansion of the actuator were discussed for manipulation applications in soft robotics and bioengineering. The magnetically assisted manufacturing process for the soft bending actuator is a promising technique for various applications in soft robotics.

  18. Surface structure of Bi2Se3(111) determined by low-energy electron diffraction and surface x-ray diffraction

    DEFF Research Database (Denmark)

    dos Reis, Diogo Duarte; Barreto, Lucas; Bianchi, Marco

    2013-01-01

    The surface structure of the prototypical topological insulator Bi2Se3 is determined by low-energy electron diffraction and surface x-ray diffraction at room temperature. Both approaches show that the crystal is terminated by an intact quintuple layer. Specifically, an alternative termination by ...... by a bismuth bilayer is ruled out. Surface relaxations obtained by both techniques are in good agreement with each other and found to be small. This includes the relaxation of the van der Waals gap between the first two quintuple layers....

  19. Overcoming barriers to membrane protein structure determination.

    Science.gov (United States)

    Bill, Roslyn M; Henderson, Peter J F; Iwata, So; Kunji, Edmund R S; Michel, Hartmut; Neutze, Richard; Newstead, Simon; Poolman, Bert; Tate, Christopher G; Vogel, Horst

    2011-04-01

    After decades of slow progress, the pace of research on membrane protein structures is beginning to quicken thanks to various improvements in technology, including protein engineering and microfocus X-ray diffraction. Here we review these developments and, where possible, highlight generic new approaches to solving membrane protein structures based on recent technological advances. Rational approaches to overcoming the bottlenecks in the field are urgently required as membrane proteins, which typically comprise ~30% of the proteomes of organisms, are dramatically under-represented in the structural database of the Protein Data Bank.

  20. Magnetotransport of High Mobility Holes in Monolayer and Bilayer WSe2

    Science.gov (United States)

    Tutuc, Emanuel

    Transition metal dichalcogenides have attracted significant interest because of their two-dimensional crystal structure, large band-gap, and strong spin-orbit interaction which leads to spin-valley locking. Recent advances in sample fabrication have allowed the experimental study of low temperature magneto-transport of high mobility holes in WSe2. We review here the main results of these studies which reveal clear quantum Hall states in mono- and bilayer WSe2. The data allows the extraction of an effective hole mass of m* = 0.45me (me is the bare electron mass) in both mono and bilayer WSe2. A systematic study of the carrier distribution in bilayer WSe2 determined from a Fourier analysis of the Shubnikov-de Haas oscillations indicates that the two layers are weakly coupled. The individual layer density dependence on gate bias shows negative compressibility, a signature of strong electron-electron interaction in these materials associated with the large effective mass. We discuss the interplay between cyclotron and Zeeman splitting using the dependence of the quantum Hall state sequence on carrier density, and the angle between the magnetic field and the WSe2 plane. Work done in collaboration with B. Fallahazad, H. C. P. Movva, K. Kim, S. K. Banerjee, T. Taniguchi, and K. Watanabe. This work supported by the Nanoelectronics Research Initiative SWAN center, Intel Corp., and National Science Foundation.

  1. Phospholipid bilayer affinities and solvation characteristics by electrokinetic chromatography with a nanodisc pseudostationary phase.

    Science.gov (United States)

    Penny, William M; Steele, Harmen B; Ross, J B Alexander; Palmer, Christopher P

    2017-03-01

    Phospholipid bilayer nanodiscs composed of 1,2-dimyristoyl-sn-glycero-3-phosphocholine and synthetic maleic acid-styrene copolymer belts have been introduced as a pseudostationary phase (PSP) in electrokinetic chromatography and demonstrated good performance. The nanodiscs provide a suitable migration range and high theoretical plate counts. Using this nanodisc pseudostationary phase, the affinity of the bilayer structure for probe solutes was determined and characterized. Good correlation is observed between retention factors and octanol water partition coefficients for particular categories of solutes, but the general correlation is weak primarily because the nanodiscs show stronger affinity than octanol for hydrogen bond donors. This suggests that a more appropriate application of this technology is to measure and characterize interactions between solutes and lipid bilayers directly. Linear solvation energy relationship analysis of the nanodisc-solute interactions in this study demonstrates that the nanodiscs provide a solvation environment with low cohesivity and weak hydrogen bond donating ability, and provide relatively strong hydrogen bond acceptor strength. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Evaluation of Maltose-Induced Chemical Degradation at the Interface of Bilayer Tablets.

    Science.gov (United States)

    Matsuzaki, Naoya; Yamamoto, Yousuke; Murayama, Daisuke; Katakawa, Yoshifumi; Mimura, Hisashi; Kimura, Shin-Ichiro; Iwao, Yasunori; Itai, Shigeru

    2017-01-01

    Fixed dose combination tablets consisting of mirabegron (MB) and solifenacin succinate (SS) were developed and formulated into bilayer tablets in the current study. The results of a chemical stability study showed that the original formulation for the tablets led to a significant increase of unknown degradants in the SS layer. Two compatibility studies were conducted to simulate the interface between the MB and SS layers, and the results revealed that the degradants only formed in the presence of both active pharmaceutical ingredients (APIs), and that the presence of maltose in the SS layer was critical to inducing degradation. High resolution mass spectroscopy coupled with high performance liquid chromatography was used to determine the chemical structures of the degradants, which were identified to MB derivatives bearing one or two sugar units. These findings therefore suggested that the degradation of the API could be attributed to the addition of sugar units from maltose to MB under the acidic conditions caused by SS. With this in mind, we developed a new formulation by replacing maltose with hydroxypropyl cellulose as a polymer-type binder. The results showed that this formulation suppressed the formation of the degradants. The results of this study have shown that chemical degradation can occur at the interface of bilayer tablets and that an alternative strategy is available to formulate more stable MB/SS bilayer tablets.

  3. Kohn-Luttinger superconductivity in monolayer and bilayer semimetals with the Dirac spectrum

    International Nuclear Information System (INIS)

    Kagan, M. Yu.; Mitskan, V. A.; Korovushkin, M. M.

    2014-01-01

    The effect of Coulomb interaction in an ensemble of Dirac fermions on the formation of superconducting pairing in monolayer and bilayer doped graphene is studied using the Kohn-Luttinger mechanism disregarding the Van der Waals potential of the substrate and impurities. The electronic structure of graphene is described using the Shubin-Vonsovsky model taking into account the intratomic, interatomic, and interlayer (in the case of bilayer graphene) Coulomb interactions between electrons. The Cooper instability is determined by solving the Bethe-Saltpeter integral equation. The renormalized scattering amplitude is obtained with allowance for the Kohn-Luttinger polarization contributions up to the second order of perturbation theory in the Coulomb interaction. It plays the role of effective interaction in the Bethe-Salpeter integral equation. It is shown that the allowance for the Kohn-Luttinger renormalizations as well as intersite Coulomb interaction noticeably affects the competition between the superconducting phases with the f-wave and d + id-wave symmetries of the order parameter. It is demonstrated that the superconducting transition temperature for an idealized graphene bilayer with significant interlayer Coulomb interaction between electrons is noticeably higher than in the monolayer case

  4. Tunable electric properties of bilayer InSe with different interlayer distances and external electric field

    Science.gov (United States)

    Shang, Jimin; Pan, Longfei; Wang, Xiaoting; Li, Jingbo; Wei, Zhongming

    2018-03-01

    Using density functional theory we explore the band structure of bilayer Indium selenide (InSe), and we find that the van der Waals interaction has significant effects on the electric and optical properties. We then explore the tuning electronic properties by different interlayer distances and by an external vertical electric field. Our results demonstrate that the band gaps of bilayer InSe can be continuously tuned by different interlayer coupling. With decreasing interlayer distances, the tunable band gaps of bilayer decrease linearly, owing to the enhancement of the interlayer interaction. Additionally, the band structure of bilayer InSe under external vertical fields is discussed. The presence of a small external electric field can make a new spatial distribution of electron-hole pairs. A well separation based on the electrons and holes, localized in different layers can be obtained using this easy method. These properties of bilayer InSe indicates potential applications in designing new optoelectronic devices.

  5. determination of verticality of reservoir engineering structure

    African Journals Online (AJOL)

    user

    applications is 3D survey and management of oil and gas facilities and other engineering structures. This recent .... also affect ground water contamination. 2. VERTICALITY ...... The soil, water and concrete in a Reservoir at the foundation bed ...

  6. DETERMINANTS OF FINANCIAL STRUCTURE OF GREEK COMPANIES

    Directory of Open Access Journals (Sweden)

    Gargalis PANAGIOTIS

    2016-06-01

    Full Text Available Capital structure is essential for the survival, growth and performance of a firm. There has been a growing interest worldwide in identifying the factors associated with debt leverage. This article aims to investigate the factors affecting the capital structure of companies listed on the Athens Stock Exchange (ASE. The data set used is composed of indicators reflecting the financial position and performance of 40 firms listed on the ASE in 2014. Using a regression model we estimate in what extent the financial structure of companies is affected by performance indicators and other specific factors like the field of activity or the size of the firms. The results obtained show an important influence of share of tangible assets in total assets of the company on the financial leverage, as main variable selected in order to reflect the capital structure of Greek companies.

  7. Science achievement determinants: factorial structure of family ...

    African Journals Online (AJOL)

    The family plays an important role in determining the academic achievement ... parents' assistance, expectation, and encouragement in their children's mathematics ... suggested that cultural upbringing is a strong factor contributing to the.

  8. Ferroelectric properties of bilayer structured Pb(Zr0.52Ti0.48)O3/SrBi2Ta2O9 (PZT/SBT) thin films on Pt/TiO2/SiO2/Si substrates

    International Nuclear Information System (INIS)

    Zhang Wenqi; Li Aidong; Shao Qiyue; Xia Yidong; Wu Di; Liu Zhiguo; Ming Naiben

    2008-01-01

    Pb(Zr 0.52 Ti 0.48 )O 3 (PZT) thin films with large remanent polarization and SrBi 2 Ta 2 O 9 (SBT) thin films with excellent fatigue-resisting characteristic have been widely studied for non-volatile random access memories, respectively. To combine these two advantages , bilayered Pb(Zr 0.52 Ti 0.48 )O 3 /SrBi 2 Ta 2 O 9 (PZT/SBT) thin films were fabricated on Pt/TiO 2 /SiO 2 /Si substrates by chemical solution deposition method. X-ray diffraction patterns revealed that the diffraction peaks of PZT/SBT thin films were completely composed of PZT and SBT, and no other secondary phase was observed. The electrical properties of the bilayered structure PZT/SBT films have been investigated in comparison with pure PZT and SBT films. PZT/SBT bilayered thin films showed larger remanent polarization (2P r ) of 18.37 μC/cm 2 than pure SBT and less polarization fatigue up to 1 x 10 9 switching cycles than pure PZT. These results indicated that this bilayered structure of PZT/SBT is a promising material combination for ferroelectric memory applications

  9. Strain, stabilities and electronic properties of hexagonal BN bilayers

    Science.gov (United States)

    Fujimoto, Yoshitaka; Saito, Susumu

    Hexagonal boron nitride (h-BN) atomic layers have been regarded as fascinating materials both scientifically and technologically due to the sizable band gap. This sizable band-gap nature of the h-BN atomic layers would provide not only new physical properties but also novel nano- and/or opto-electronics applications. Here, we study the first-principles density-functional study that clarifies the biaxial strain effects on the energetics and the electronic properties of h-BN bilayers. We show that the band gaps of the h-BN bilayers are tunable by applying strains. Furthermore, we show that the biaxial strains can produce a transition from indirect to direct band gaps of the h-BN bilayer. We also discuss that both AA and AB stacking patterns of h-BN bilayer become feasible structures because h-BN bilayers possess two different directions in the stacking patterns. Supported by MEXT Elements Strategy Initiative to Form Core Research Center through Tokodai Institute for Element Strategy, JSPS KAKENHI Grant Numbers JP26390062 and JP25107005.

  10. Structure determination by X-ray crystallography

    CERN Document Server

    Ladd, M F C

    1995-01-01

    X-ray crystallography provides us with the most accurate picture we can get of atomic and molecular structures in crystals. It provides a hard bedrock of structural results in chemistry and in mineralogy. In biology, where the structures are not fully crystalline, it can still provide valuable results and, indeed, the impact here has been revolutionary. It is still an immense field for young workers, and no doubt will provide yet more striking develop­ ments of a major character. It does, however, require a wide range of intellectual application, and a considerable ability in many fields. This book will provide much help. It is a very straightforward and thorough guide to every aspect of the subject. The authors are experienced both as research workers themselves and as teachers of standing, and this is shown in their clarity of exposition. There are plenty of iliustrations and worked examples to aid the student to obtain a real grasp of the subject.

  11. Structural determinants in the bulk heterojunction.

    Science.gov (United States)

    Acocella, Angela; Höfinger, Siegfried; Haunschmid, Ernst; Pop, Sergiu C; Narumi, Tetsu; Yasuoka, Kenji; Yasui, Masato; Zerbetto, Francesco

    2018-02-21

    Photovoltaics is one of the key areas in renewable energy research with remarkable progress made every year. Here we consider the case of a photoactive material and study its structural composition and the resulting consequences for the fundamental processes driving solar energy conversion. A multiscale approach is used to characterize essential molecular properties of the light-absorbing layer. A selection of bulk-representative pairs of donor/acceptor molecules is extracted from the molecular dynamics simulation of the bulk heterojunction and analyzed at increasing levels of detail. Significantly increased ground state energies together with an array of additional structural characteristics are identified that all point towards an auxiliary role of the material's structural organization in mediating charge-transfer and -separation. Mechanistic studies of the type presented here can provide important insights into fundamental principles governing solar energy conversion in next-generation photovoltaic devices.

  12. Examining the origins of the hydration force between lipid bilayers using all-atom simulations.

    Science.gov (United States)

    Gentilcore, Anastasia N; Michaud-Agrawal, Naveen; Crozier, Paul S; Stevens, Mark J; Woolf, Thomas B

    2010-05-01

    Using 237 all-atom double bilayer simulations, we examined the thermodynamic and structural changes that occur as a phosphatidylcholine lipid bilayer stack is dehydrated. The simulated system represents a micropatch of lipid multilayer systems that are studied experimentally using surface force apparatus, atomic force microscopy and osmotic pressure studies. In these experiments, the hydration level of the system is varied, changing the separation between the bilayers, in order to understand the forces that the bilayers feel as they are brought together. These studies have found a curious, strongly repulsive force when the bilayers are very close to each other, which has been termed the "hydration force," though the origins of this force are not clearly understood. We computationally reproduce this repulsive, relatively free energy change as bilayers come together and make qualitative conclusions as to the enthalpic and entropic origins of the free energy change. This analysis is supported by data showing structural changes in the waters, lipids and salts that have also been seen in experimental work. Increases in solvent ordering as the bilayers are dehydrated are found to be essential in causing the repulsion as the bilayers come together.

  13. Quantitative Raman microspectroscopy for water permeability parameters at a droplet interface bilayer.

    Science.gov (United States)

    Braziel, S; Sullivan, K; Lee, S

    2018-01-29

    Using confocal Raman microspectroscopy, we derive parameters for bilayer water transport across an isolated nanoliter aqueous droplet pair. For a bilayer formed with two osmotically imbalanced and adherent nanoliter aqueous droplets in a surrounding oil solvent, a droplet interface bilayer (DIB), the water permeability coefficient across the lipid bilayer was determined from monitoring the Raman scattering from the C[triple bond, length as m-dash]N stretching mode of K 3 Fe(CN) 6 as a measure of water uptake into the swelling droplet of a DIB pair. We also derive passive diffusional permeability coefficient for D 2 O transport across a droplet bilayer using O-D Raman signal. This method provides a significant methodological advance in determining water permeability coefficients in a convenient and reliable way.

  14. Some structural determinants of melody recall.

    Science.gov (United States)

    Boltz, M

    1991-05-01

    Sophisticated musicians were asked to recall, using musical notation, a set of unfamiliar folk tunes that varied in rhythmic structure and referents of tonality. The results showed that memory was facilitated by tonic triad members marking phrase endings, but only when their presence was highlighted by a corresponding pattern of temporal accents. Conversely, recall significantly declined when tonal information was either absent or obscured by rhythmic structure. Error analyses further revealed that the retention of overall pitch contour and information at phrase ending points varied as a function of these manipulations. The results are discussed in terms of a framework that links the acts of perceiving and remembering to a common attentional scheme.

  15. Slaved diffusion in phospholipid bilayers

    Science.gov (United States)

    Zhang, Liangfang; Granick, Steve

    2005-01-01

    The translational diffusion of phospholipids in supported fluid bilayers splits into two populations when polyelectrolytes adsorb at incomplete surface coverage. Spatially resolved measurements using fluorescence correlation spectroscopy show that a slow mode, whose magnitude scales inversely with the degree of polymerization of the adsorbate, coexists with a fast mode characteristic of naked lipid diffusion. Inner and outer leaflets of the bilayer are affected nearly equally. Mobility may vary from spot to spot on the membrane surface, despite the lipid composition being the same. This work offers a mechanism to explain how nanosized domains with reduced mobility arise in lipid membranes. PMID:15967988

  16. Overcoming barriers to membrane protein structure determination

    NARCIS (Netherlands)

    Bill, Roslyn M.; Henderson, Peter J. F.; Iwata, So; Kunji, Edmund R. S.; Michel, Hartmut; Neutze, Richard; Newstead, Simon; Poolman, Bert; Tate, Christopher G.; Vogel, Horst

    After decades of slow progress, the pace of research on membrane protein structures is beginning to quicken thanks to various improvements in technology, including protein engineering and microfocus X-ray diffraction. Here we review these developments and, where possible, highlight generic new

  17. Structural determination and gynecological tumor diagnosis using ...

    African Journals Online (AJOL)

    covalent bonding patterns and branched structures. Studies have shown that changes in protein glycosylation at the cell surface during tumorigenesis are closely related to the occurrence and development of some cancers, including pancreatic cancer, mammary cancer, prostatic cancer, colon cancer, and gastric cancer [1].

  18. Determining the structure of Carbon-60

    International Nuclear Information System (INIS)

    Wif, D.

    1994-01-01

    Carbon-60 is the most stable and best known of the carbon cage structures known collectively as the fullerenes. It is a remarkable molecule that forms a fascinating solid. Although the molecular shape of C sub 6 sub 0 is familiar - it is simply the shape of a soccer ball with 12 pentagons and 20 hexagons - the manner in which it forms a crystal structure is by no means obvious. This talk will focus on the insights which neutron scattering at ISIS has brought to our understanding of solid C sub6 sub 0. At room temperature, the structure may be regarded as forming as essentially ideal cubic-close packed molecular b ubble-raft : each molecule is reorienting so rapidly that a time-averaged picture, over as little as a nanosecond, reveals a closely spherical shell of atomic density. At 260 K, a rather unusual structural transition occurs. The molecules order but still retain cubic symmetry. Although this may not appear to be a rather dramatic change, detailed considerations show that a profound transition has occurred that bears close similarities to a solid-liquid phase transition but in two dimensions. Below 260 K, reorientation still occurs but at a dramatically reduced rate as the temperature is lowered. Indeed at around 90 K, The reorientation is so slow that thermodynamic equilibrium cannot be achieved in a reasonable timescale an orientational glass transition occurs. Although the behaviour of solid C sub 6 sub 0 undergoes dramatic changes as a function of temperature, a coherent description has evolved in which neutron scattering plays a central role. Close analogies are to be found in the study of systems as diverse as solid H sub 2 and human-rhinovirus structures. These analogies and the central role played by neutron scattering at ISIS will be emphasised in this paper. 5 figs., 10 refs. (author)

  19. Neutron diffraction studies of amphipathic helices in phospholipid bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Bradshaw, J.P.; Gilchrist, P.J. [Univ. of Edinburgh (United Kingdom); Duff, K.C. [Univ. of Edinburgh Medical School (United Kingdom); Saxena, A.M. [Brookhaven National Laboratory, Upton, NY (United States)

    1994-12-31

    The structural feature which is thought to facilitate the interaction of many peptides with phospholipid bilayers is the ability to fold into an amphipathic helix. In most cases the exact location and orientation of this helix with respect to the membrane is not known, and may vary with factors such as pH and phospholipid content of the bilayer. The growing interest in this area is stimulated by indications that similar interactions can contribute to the binding of certain hormones to their cell-surface receptors. We have been using the techniques of neutron diffraction from stacked phospholipid bilayers in an attempt to investigate this phenomenon with a number of membrane-active peptides. Here we report some of our findings with three of these: the bee venom melittin; the hormone calcitonin; and a synthetic peptide representing the ion channel fragment of influenza A M2 protein.

  20. Tunneling Spectroscopy of Quantum Hall States in Bilayer Graphene

    Science.gov (United States)

    Wang, Ke; Harzheim, Achim; Watanabe, Kenji; Taniguchi, Takashi; Kim, Philip

    In the quantum Hall (QH) regime, ballistic conducting paths along the physical edges of a sample appear, leading to quantized Hall conductance and vanishing longitudinal magnetoconductance. These QH edge states are often described as ballistic compressible strips separated by insulating incompressible strips, the spatial profiles of which can be crucial in understanding the stability and emergence of interaction driven QH states. In this work, we present tunneling transport between two QH edge states in bilayer graphene. Employing locally gated device structure, we guide and control the separation between the QH edge states in bilayer graphene. Using resonant Landau level tunneling as a spectroscopy tool, we measure the energy gap in bilayer graphene as a function of displacement field and probe the emergence and evolution of incompressible strips.

  1. Neutron diffraction studies of amphipathic helices in phospholipid bilayers

    International Nuclear Information System (INIS)

    Bradshaw, J.P.; Gilchrist, P.J.; Duff, K.C.; Saxena, A.M.

    1994-01-01

    The structural feature which is thought to facilitate the interaction of many peptides with phospholipid bilayers is the ability to fold into an amphipathic helix. In most cases the exact location and orientation of this helix with respect to the membrane is not known, and may vary with factors such as pH and phospholipid content of the bilayer. The growing interest in this area is stimulated by indications that similar interactions can contribute to the binding of certain hormones to their cell-surface receptors. We have been using the techniques of neutron diffraction from stacked phospholipid bilayers in an attempt to investigate this phenomenon with a number of membrane-active peptides. Here we report some of our findings with three of these: the bee venom melittin; the hormone calcitonin; and a synthetic peptide representing the ion channel fragment of influenza A M2 protein

  2. Vascular structure determines pulmonary blood flow distribution

    Science.gov (United States)

    Hlastala, M. P.; Glenny, R. W.

    1999-01-01

    Scientific knowledge develops through the evolution of new concepts. This process is usually driven by new methodologies that provide observations not previously available. Understanding of pulmonary blood flow determinants advanced significantly in the 1960s and is now changing rapidly again, because of increased spatial resolution of regional pulmonary blood flow measurements.

  3. On the application of the MARTINI coarse-grained model to immersion of a protein in a phospholipid bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Mustafa, Ghulam, E-mail: Ghulam.Mustafa@h-its.org, E-mail: rebecca.wade@h-its.org; Nandekar, Prajwal P.; Yu, Xiaofeng [Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Schloß-Wolfsbrunnenweg 35, 69118 Heidelberg (Germany); Wade, Rebecca C., E-mail: Ghulam.Mustafa@h-its.org, E-mail: rebecca.wade@h-its.org [Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Schloß-Wolfsbrunnenweg 35, 69118 Heidelberg (Germany); Zentrum für Molekulare Biologie der Universität Heidelberg, DKFZ-ZMBH Alliance, INF 282, 69120 Heidelberg (Germany); Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, INF 368, 69120 Heidelberg (Germany)

    2015-12-28

    An important step in the simulation of a membrane protein in a phospholipid bilayer is the correct immersion of the protein in the bilayer. Crystal structures are determined without the bilayer. Particularly for proteins with monotopic domains, it can be unclear how deeply and in which orientation the protein is being inserted in the membrane. We have previously developed a procedure combining coarse-grain (CG) with all-atom (AA) molecular dynamics (MD) simulations to insert and simulate a cytochrome P450 (CYP) possessing an N-terminal transmembrane helix connected by a flexible linker region to a globular domain that dips into the membrane. The CG simulations provide a computationally efficient means to explore different orientations and conformations of the CYP in the membrane. Converged configurations obtained in the CG simulations are then refined in AA simulations. Here, we tested different variants of the MARTINI CG model, differing in the water model, the treatment of long-range non-bonded interactions, and the implementation (GROMACS 4.5.5 vs 5.0.4), for this purpose. We examined the behavior of the models for simulating a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayer in water and for the immersion of CYP3A4 in a POPC bilayer, and compared the CG-MD results with the previously reported experimental and simulation results. We also tested the methodology on a set of four other CYPs. Finally, we propose an optimized protocol for modeling such protein-membrane systems that provides the most plausible configurations and is computationally efficient; this incorporates the standard non-polar water model and the GROMACS 5.0.4 implementation with a reaction field treatment of long-range interactions.

  4. On the application of the MARTINI coarse-grained model to immersion of a protein in a phospholipid bilayer

    International Nuclear Information System (INIS)

    Mustafa, Ghulam; Nandekar, Prajwal P.; Yu, Xiaofeng; Wade, Rebecca C.

    2015-01-01

    An important step in the simulation of a membrane protein in a phospholipid bilayer is the correct immersion of the protein in the bilayer. Crystal structures are determined without the bilayer. Particularly for proteins with monotopic domains, it can be unclear how deeply and in which orientation the protein is being inserted in the membrane. We have previously developed a procedure combining coarse-grain (CG) with all-atom (AA) molecular dynamics (MD) simulations to insert and simulate a cytochrome P450 (CYP) possessing an N-terminal transmembrane helix connected by a flexible linker region to a globular domain that dips into the membrane. The CG simulations provide a computationally efficient means to explore different orientations and conformations of the CYP in the membrane. Converged configurations obtained in the CG simulations are then refined in AA simulations. Here, we tested different variants of the MARTINI CG model, differing in the water model, the treatment of long-range non-bonded interactions, and the implementation (GROMACS 4.5.5 vs 5.0.4), for this purpose. We examined the behavior of the models for simulating a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayer in water and for the immersion of CYP3A4 in a POPC bilayer, and compared the CG-MD results with the previously reported experimental and simulation results. We also tested the methodology on a set of four other CYPs. Finally, we propose an optimized protocol for modeling such protein-membrane systems that provides the most plausible configurations and is computationally efficient; this incorporates the standard non-polar water model and the GROMACS 5.0.4 implementation with a reaction field treatment of long-range interactions

  5. Adsorption of beryllium atoms and clusters both on graphene and in a bilayer of graphite investigated by DFT.

    Science.gov (United States)

    Ferro, Yves; Fernandez, Nicolas; Allouche, Alain; Linsmeier, Christian

    2013-01-09

    We herein investigate the interaction of beryllium with a graphene sheet and in a bilayer of graphite by means of periodic DFT calculations. In all cases, we find the beryllium atoms to be more weakly bonded on graphene than in the bilayer. Be(2) forms both magnetic and non-magnetic structures on graphene depending on the geometrical configuration of adsorption. We find that the stability of the Be/bilayer system increases with the size of the beryllium clusters inserted into the bilayer of graphite. We also find a charge transfer from beryllium to the graphite layers. All these results are analysed in terms of electronic structure.

  6. Theory of passive proton conductance in lipid bilayers.

    Science.gov (United States)

    Nagle, J F

    1987-10-01

    The large permeability of lipid bilayers to protons compared to other small ions calls for a special proton transport mechanism. At the present time, only mechanisms involving transient hydrogen-bonded chains of water can account for the experimental result that the conductance is nearly independent of pH. Three models involving transient hydrogen-bonded chains are discussed, including an outline of the kinetic calculations that lead to predictions of current versus voltage drop and current versus pH differences. These calculations can be compared to experiment to determine which, if any, of these models pertains to lipid bilayers.

  7. Power losses in bilayer inverted small molecule organic solar cells

    KAUST Repository

    Trinh, Cong; Bakke, Jonathan R.; Brennan, Thomas P.; Bent, Stacey F.; Navarro, Francisco; Bartynski, Andrew; Thompson, Mark E.

    2012-01-01

    Inverted bilayer organic solar cells using copper phthalocyanine (CuPc) as a donor and C60 as an acceptor with the structure: glass/indium tin oxide (ITO)/ZnO/C60/CuPc/MoO3/Al, in which the zinc oxide (ZnO) was deposited by atomic layer deposition

  8. Device model investigation of bilayer organic light emitting diodes

    International Nuclear Information System (INIS)

    Crone, B. K.; Davids, P. S.; Campbell, I. H.; Smith, D. L.

    2000-01-01

    Organic materials that have desirable luminescence properties, such as a favorable emission spectrum and high luminescence efficiency, are not necessarily suitable for single layer organic light-emitting diodes (LEDs) because the material may have unequal carrier mobilities or contact limited injection properties. As a result, single layer LEDs made from such organic materials are inefficient. In this article, we present device model calculations of single layer and bilayer organic LED characteristics that demonstrate the improvements in device performance that can occur in bilayer devices. We first consider an organic material where the mobilities of the electrons and holes are significantly different. The role of the bilayer structure in this case is to move the recombination away from the electrode that injects the low mobility carrier. We then consider an organic material with equal electron and hole mobilities but where it is not possible to make a good contact for one carrier type, say electrons. The role of a bilayer structure in this case is to prevent the holes from traversing the device without recombining. In both cases, single layer device limitations can be overcome by employing a two organic layer structure. The results are discussed using the calculated spatial variation of the carrier densities, electric field, and recombination rate density in the structures. (c) 2000 American Institute of Physics

  9. Poly(amidoamine) dendrimers on lipid bilayers II: Effects of bilayer phase and dendrimer termination.

    Science.gov (United States)

    Kelly, Christopher V; Leroueil, Pascale R; Orr, Bradford G; Banaszak Holl, Mark M; Andricioaei, Ioan

    2008-08-07

    The molecular structures and enthalpy release of poly(amidoamine) (PAMAM) dendrimers binding to 1,2-dimyristoyl- sn-glycero-3-phosphocholine (DMPC) bilayers were explored through atomistic molecular dynamics. Three PAMAM dendrimer terminations were examined: protonated primary amine, neutral acetamide, and deprotonated carboxylic acid. Fluid and gel lipid phases were examined to extract the effects of lipid tail mobility on the binding of generation-3 dendrimers, which are directly relevant to the nanoparticle interactions involving lipid rafts, endocytosis, lipid removal, and/or membrane pores. Upon binding to gel phase lipids, dendrimers remained spherical, had a constant radius of gyration, and approximately one-quarter of the terminal groups were in close proximity to the lipids. In contrast, upon binding to fluid phase bilayers, dendrimers flattened out with a large increase in their asphericity and radii of gyration. Although over twice as many dendrimer-lipid contacts were formed on fluid versus gel phase lipids, the dendrimer-lipid interaction energy was only 20% stronger. The greatest enthalpy release upon binding was between the charged dendrimers and the lipid bilayer. However, the stronger binding to fluid versus gel phase lipids was driven by the hydrophobic interactions between the inner dendrimer and lipid tails.

  10. Modeling the Effects of Lipid Composition on Stratum Corneum Bilayers Using Molecular Dynamics Simulations

    Science.gov (United States)

    Huzil, J. Torin; Sivaloganathan, Siv; Kohandel, Mohammad; Foldvari, Marianna

    2011-11-01

    The advancement of dermal and transdermal drug delivery requires the development of delivery systems that are suitable for large protein and nucleic acid-based therapeutic agents. However, a complete mechanistic understanding of the physical barrier properties associated with the epidermis, specifically the membrane structures within the stratum corneum, has yet to be developed. Here, we describe the assembly and computational modeling of stratum corneum lipid bilayers constructed from varying ratios of their constituent lipids (ceramide, free fatty acids and cholesterol) to determine if there is a difference in the physical properties of stratum corneum compositions.

  11. Growth and characterization of the ZnO/ZnS bilayer obtained by chemical spray pyrolysis

    International Nuclear Information System (INIS)

    Lopez, M.C.; Espinos, J.P.; Leinen, D.; Martin, F.; Centeno, S.P.; Romero, R.; Ramos-Barrado, J.R.

    2008-01-01

    ZnO/ZnS bilayer antireflection coatings have been prepared by spray pyrolysis using aqueous solutions of zinc acetate and thiourea or zinc chloride and thiourea. The structure, surface morphology, chemical composition and optical transmittance of the bilayer have been examined as a function of the composition of the initial solution. X-ray photoelectron spectroscopy analysis and Ar ion-beam sputter etching was carried out to obtain a depth profile of bilayer. Neither carbon nor other by-products, which could alter the optical transmittance of the bilayer were found in either the interface or bulk. The differences between the bilayers arise from the annealing of the ZnS underlayer, as well as the precursor used to prepare it.

  12. Intrinsic magnetism and spontaneous band gap opening in bilayer silicene and germanene.

    Science.gov (United States)

    Wang, Xinquan; Wu, Zhigang

    2017-01-18

    It has been long sought to create magnetism out of simple non-magnetic materials, such as silicon and germanium. Here we show that intrinsic magnetism exists in bilayer silicene and germanene with no need to cut, etch, or dope. Unlike bilayer graphene, strong covalent interlayer bonding formed in bilayer silicene and germanene breaks the original π-bonding network of each layer, leaving the unbonded electrons unpaired and localized to carry magnetic moments. These magnetic moments then couple ferromagnetically within each layer while antiferromagnetically across two layers, giving rise to an infinite magnetic sheet with structural integrity and magnetic homogeneity. Furthermore, this unique magnetic ordering results in fundamental band gaps of 0.55 eV and 0.32 eV for bilayer silicene and germanene, respectively. The integration of intrinsic magnetism and spontaneous band gap opening makes bilayer silicene and germanene attractive for future nanoelectronics as well as spin-based computation and data storage.

  13. Three-Dimensional Structure Determination of Botulinum Toxin

    National Research Council Canada - National Science Library

    Stevens, Ray

    1997-01-01

    ...) Based on the structure of the neurotoxin, understand the toxins mechanism of action. We have accomplished the first goal of determining the three-dimensional structure of the 150 kD botulinum neurotoxin serotype...

  14. Three-Dimensional Structure Determination of Botulinum Toxin

    National Research Council Canada - National Science Library

    Stevens, Ray

    1998-01-01

    ...) Based on the structure of the neurotoxin, understand the toxins mechanism of action. We have accomplished the first goal of determining the three-dimensional structure of the 150 kD botulinum neurotoxin serotype...

  15. Self-assembled PCBM bilayers on graphene and HOPG examined by AFM and STM

    Science.gov (United States)

    Li, Yanlong; Chen, Chuanhui; Burton, John; Park, Kyungwha; Heflin, James R.; Tao, Chenggang

    2018-05-01

    In this work we report fabrication and characterization of phenyl-C61-butyric acid methyl ester (PCBM) bilayer structures on graphene and highly oriented pyrolytic graphite (HOPG). Through careful control of the PCBM solution concentration (from 0.1 to 2 mg ml-1) and the deposition conditions, we demonstrate that PCBM molecules self-assemble into bilayer structures on graphene and HOPG substrates. Interestingly, the PCBM bilayers are formed with two distinct heights on HOPG, but only one unique representative height on graphene. At elevated annealing temperatures, edge diffusion allows neighboring vacancies to merge into a more ordered structure. This is, to the best of our knowledge, the first experimental realization of PCBM bilayer structures on graphene. This work could provide valuable insight into fabrication of new hybrid, ordered structures for applications to organic solar cells.

  16. The determinants of capital structure: evidence from Dutch panel data

    OpenAIRE

    Chen, Linda H.; Lensink, Robert; Sterken, Elmer

    1999-01-01

    This paper studies the determinants of capital structure choice of Dutch firms. Our main objective is to investigate whether and to what extent the main capital structure theories can explain capital structure choice of Dutch firms. A better understanding of the capital structure determinants in a rela-tively small yet open industrialized economy is essential not only for enrich-ing empirical studies in this field, but also for the purpose of cross country asset evaluation. By estimating a pa...

  17. How structure determines correlations in neuronal networks.

    Directory of Open Access Journals (Sweden)

    Volker Pernice

    2011-05-01

    Full Text Available Networks are becoming a ubiquitous metaphor for the understanding of complex biological systems, spanning the range between molecular signalling pathways, neural networks in the brain, and interacting species in a food web. In many models, we face an intricate interplay between the topology of the network and the dynamics of the system, which is generally very hard to disentangle. A dynamical feature that has been subject of intense research in various fields are correlations between the noisy activity of nodes in a network. We consider a class of systems, where discrete signals are sent along the links of the network. Such systems are of particular relevance in neuroscience, because they provide models for networks of neurons that use action potentials for communication. We study correlations in dynamic networks with arbitrary topology, assuming linear pulse coupling. With our novel approach, we are able to understand in detail how specific structural motifs affect pairwise correlations. Based on a power series decomposition of the covariance matrix, we describe the conditions under which very indirect interactions will have a pronounced effect on correlations and population dynamics. In random networks, we find that indirect interactions may lead to a broad distribution of activation levels with low average but highly variable correlations. This phenomenon is even more pronounced in networks with distance dependent connectivity. In contrast, networks with highly connected hubs or patchy connections often exhibit strong average correlations. Our results are particularly relevant in view of new experimental techniques that enable the parallel recording of spiking activity from a large number of neurons, an appropriate interpretation of which is hampered by the currently limited understanding of structure-dynamics relations in complex networks.

  18. Membrane docking geometry of GRP1 PH domain bound to a target lipid bilayer: an EPR site-directed spin-labeling and relaxation study.

    Directory of Open Access Journals (Sweden)

    Huai-Chun Chen

    Full Text Available The second messenger lipid PIP(3 (phosphatidylinositol-3,4,5-trisphosphate is generated by the lipid kinase PI3K (phosphoinositide-3-kinase in the inner leaflet of the plasma membrane, where it regulates a broad array of cell processes by recruiting multiple signaling proteins containing PIP(3-specific pleckstrin homology (PH domains to the membrane surface. Despite the broad importance of PIP(3-specific PH domains, the membrane docking geometry of a PH domain bound to its target PIP(3 lipid on a bilayer surface has not yet been experimentally determined. The present study employs EPR site-directed spin labeling and relaxation methods to elucidate the membrane docking geometry of GRP1 PH domain bound to bilayer-embedded PIP(3. The model target bilayer contains the neutral background lipid PC and both essential targeting lipids: (i PIP(3 target lipid that provides specificity and affinity, and (ii PS facilitator lipid that enhances the PIP(3 on-rate via an electrostatic search mechanism. The EPR approach measures membrane depth parameters for 18 function-retaining spin labels coupled to the PH domain, and for calibration spin labels coupled to phospholipids. The resulting depth parameters, together with the known high resolution structure of the co-complex between GRP1 PH domain and the PIP(3 headgroup, provide sufficient constraints to define an optimized, self-consistent membrane docking geometry. In this optimized geometry the PH domain engulfs the PIP(3 headgroup with minimal bilayer penetration, yielding the shallowest membrane position yet described for a lipid binding domain. This binding interaction displaces the PIP(3 headgroup from its lowest energy position and orientation in the bilayer, but the headgroup remains within its energetically accessible depth and angular ranges. Finally, the optimized docking geometry explains previous biophysical findings including mutations observed to disrupt membrane binding, and the rapid lateral

  19. Modification of glassy carbon electrode with a bilayer of multiwalled carbon nanotube/tiron-doped polypyrrole: Application to sensitive voltammetric determination of acyclovir

    Energy Technology Data Exchange (ETDEWEB)

    Shahrokhian, Saeed, E-mail: shahrokhian@sharif.edu [Department of Chemistry, Sharif University of Technology, Tehran 11155-3516 (Iran, Islamic Republic of); Institute for Nanoscience and Technology, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Azimzadeh, Mahnaz [Department of Chemistry, Sharif University of Technology, Tehran 11155-3516 (Iran, Islamic Republic of); Amini, Mohammad K. [Department of Chemistry, Isfahan University, Isfahan (Iran, Islamic Republic of)

    2015-08-01

    A novel voltammetric sensor based on glassy carbon electrode (GCE) modified with a thin film of multi-walled carbon nanotubes (MWCNTs) coated with an electropolymerized layer of tiron-doped polypyrrole was developed and the resulting electrode was applied for the determination of acyclovir (ACV). The surface morphology and property of the modified electrode were characterized by field emission scanning electron microscopy and electrochemical impedance spectroscopy techniques. The electrochemical performance of the modified electrode was investigated by means of linear sweep voltammetry (LSV). The effect of several experimental variables, such as pH of the supporting electrolyte, drop size of the cast MWCNTssuspension, number of electropolymerization cycles and accumulation time was optimized by monitoring the LSV response of the modified electrode toward ACV. The best response was observed at pH 7.0 after accumulation at open circuit for 160 s. Under the optimized conditions, a significant electrochemical improvement was observed toward the electrooxidation of ACV on the modified electrode surface relative to the bare GCE, resulting in a wide linear dynamic range (0.03–10.0 μM) and a low detection limit (10.0 nM) for ACV. Besides high sensitivity, the sensor represented high stability and good reproducibility for ACV analysis, and provided satisfactory results for the determination of this compound in pharmaceutical and clinical preparations. - Highlights: • A simple method was employed to construct a thin film modified electrode. • Tiron-doped polypyrrole was electropolymerized on MWCNT precast glassy carbon electrode. • Electrode surface characterization was performed by microscopic and spectroscopic techniques. • The modified electrode showed nano-molar detection limit for acyclovir. • The modified electrode was applied for the detection of ACV in pharmaceutical and clinical preparations.

  20. Probing interfacial characteristics of rubrene/pentacene and pentacene/rubrene bilayers with soft X-ray spectroscopy.

    Science.gov (United States)

    Seo, J H; Pedersen, T M; Chang, G S; Moewes, A; Yoo, K-H; Cho, S J; Whang, C N

    2007-08-16

    The electronic structure of rubrene/pentacene and pentacene/rubrene bilayers has been investigated using soft X-ray absorption spectroscopy, resonant X-ray emission spectroscopy, and density-functional theory calculations. X-ray absorption and emission measurements reveal that it has been possible to alter the lowest unoccupied and the highest occupied molecular orbital states of rubrene in rubrene/pentacene bilayer. In the reverse case, one gets p* molecular orbital states originating from the pentacene layer. Resonant X-ray emission spectra suggest a reduction in the hole-transition probabilities for the pentacene/rubrene bilayer in comparison to reference pentacene layer. For the rubrenepentacene structure, the hole-transition probability shows an increase in comparison to the rubrene reference. We also determined the energy level alignment of the pentacene-rubrene interface by using X-ray and ultraviolet photoelectron spectroscopy. From these comparisons, it is found that the electronic structure of the pentacene-rubrene interface has a strong dependence on interface characteristics which depends on the order of the layers used.

  1. Determining building interior structures using compressive sensing

    Science.gov (United States)

    Lagunas, Eva; Amin, Moeness G.; Ahmad, Fauzia; Nájar, Montse

    2013-04-01

    We consider imaging of the building interior structures using compressive sensing (CS) with applications to through-the-wall imaging and urban sensing. We consider a monostatic synthetic aperture radar imaging system employing stepped frequency waveform. The proposed approach exploits prior information of building construction practices to form an appropriate sparse representation of the building interior layout. We devise a dictionary of possible wall locations, which is consistent with the fact that interior walls are typically parallel or perpendicular to the front wall. The dictionary accounts for the dominant normal angle reflections from exterior and interior walls for the monostatic imaging system. CS is applied to a reduced set of observations to recover the true positions of the walls. Additional information about interior walls can be obtained using a dictionary of possible corner reflectors, which is the response of the junction of two walls. Supporting results based on simulation and laboratory experiments are provided. It is shown that the proposed sparsifying basis outperforms the conventional through-the-wall CS model, the wavelet sparsifying basis, and the block sparse model for building interior layout detection.

  2. Language structure is partly determined by social structure.

    Directory of Open Access Journals (Sweden)

    Gary Lupyan

    Full Text Available BACKGROUND: Languages differ greatly both in their syntactic and morphological systems and in the social environments in which they exist. We challenge the view that language grammars are unrelated to social environments in which they are learned and used. METHODOLOGY/PRINCIPAL FINDINGS: We conducted a statistical analysis of >2,000 languages using a combination of demographic sources and the World Atlas of Language Structures--a database of structural language properties. We found strong relationships between linguistic factors related to morphological complexity, and demographic/socio-historical factors such as the number of language users, geographic spread, and degree of language contact. The analyses suggest that languages spoken by large groups have simpler inflectional morphology than languages spoken by smaller groups as measured on a variety of factors such as case systems and complexity of conjugations. Additionally, languages spoken by large groups are much more likely to use lexical strategies in place of inflectional morphology to encode evidentiality, negation, aspect, and possession. Our findings indicate that just as biological organisms are shaped by ecological niches, language structures appear to adapt to the environment (niche in which they are being learned and used. As adults learn a language, features that are difficult for them to acquire, are less likely to be passed on to subsequent learners. Languages used for communication in large groups that include adult learners appear to have been subjected to such selection. Conversely, the morphological complexity common to languages used in small groups increases redundancy which may facilitate language learning by infants. CONCLUSIONS/SIGNIFICANCE: We hypothesize that language structures are subjected to different evolutionary pressures in different social environments. Just as biological organisms are shaped by ecological niches, language structures appear to adapt to the

  3. Microwave Determination of the Structure of Pyridine

    Energy Technology Data Exchange (ETDEWEB)

    Bak, B.; Hansen, L.; Rastrup-Andersen, J. [Chemical Laboratory of the University of Copenhagen, Copenhagen (Denmark)

    1954-12-15

    2‐, 3‐, and 4‐mono‐deutero‐pyridine have been prepared and the microwave spectra recorded. For each of the isotopic species 11—12 transitions (Q‐ and R‐branch lines) were localized, a number of which could be identified by their Stark effect. For all three species rotational constants of high precision were calculated. The material so provided in connection with known rotational constants for ordinary pyridine is insufficient for a complete determination of the ten geometrical parameters of the molecule. Seven models with a choice of C – H distances close to the correct value (1.075‐1.085 A) were considered one of which was shown to be consistent with electron‐diffraction work and current valence theory. In this model d(N – C(2)) = 1.340±0.005; d(C(2) – C(3)) = 1.390±0.005; d(C(3) – C(4)) = 1.400±0.005 A. The valence angles in the aromatic ring (starting with the C(6) – N – C(2) angle) are: 116° 42′; 124° 00′; 118° 36′; 118° 06′.

  4. Double trigonal warping and the anomalous quantum Hall step in bilayer graphene with Rashba spin-orbit coupling

    International Nuclear Information System (INIS)

    Wang Bo; Ma Zhongshui; Zhang, C

    2012-01-01

    We demonstrate that the trigonal warping observed in bilayer graphene is doubled in the presence of Rashba spin-orbit (RSO) coupling, i.e. the Dirac points along the three-fold symmetry axis are doubled. There are now seven Dirac points. Furthermore, the RSO interaction breaks the electron-hole symmetry of the magnetic band structure. The most intriguing feature is that the step of the quantum Hall plateau at zero energy is four times that at finite energy. The number of Dirac points and the zero energy Hall step are only determined by the existence of RSO coupling, but are independent of the strength of the coupling. The robustness of these phenomena suggests equivalence between the RSO coupling and the topological effect in bilayer coupling.

  5. The hemifusion structure induced by influenza virus haemagglutinin is determined by physical properties of the target membranes.

    Science.gov (United States)

    Chlanda, Petr; Mekhedov, Elena; Waters, Hang; Schwartz, Cindi L; Fischer, Elizabeth R; Ryham, Rolf J; Cohen, Fredric S; Blank, Paul S; Zimmerberg, Joshua

    2016-04-18

    Influenza A virus haemagglutinin conformational change drives the membrane fusion of viral and endosomal membranes at low pH. Membrane fusion proceeds through an intermediate called hemifusion(1,2). For viral fusion, the hemifusion structures are not determined(3). Here, influenza virus-like particles(4) carrying wild-type haemagglutinin or haemagglutinin hemifusion mutant G1S(5) and liposome mixtures were studied at low pH by Volta phase plate cryo-electron tomography, which improves the signal-to-noise ratio close to focus. We determined two distinct hemifusion structures: a hemifusion diaphragm and a novel structure termed a 'lipidic junction'. Liposomes with lipidic junctions were ruptured with membrane edges stabilized by haemagglutinin. The rupture frequency and hemifusion diaphragm diameter were not affected by G1S mutation, but decreased when the cholesterol level in the liposomes was close to physiological concentrations. We propose that haemagglutinin induces a merger between the viral and target membranes by one of two independent pathways: a rupture-insertion pathway leading to the lipidic junction and a hemifusion-stalk pathway leading to a fusion pore. The latter is relevant under the conditions of influenza virus infection of cells. Cholesterol concentration functions as a pathway switch because of its negative spontaneous curvature in the target bilayer, as determined by continuum analysis.

  6. Spontaneous bending of pre-stretched bilayers.

    Science.gov (United States)

    DeSimone, Antonio

    2018-01-01

    We discuss spontaneously bent configurations of pre-stretched bilayer sheets that can be obtained by tuning the pre-stretches in the two layers. The two-dimensional nonlinear plate model we use for this purpose is an adaptation of the one recently obtained for thin sheets of nematic elastomers, by means of a rigorous dimensional reduction argument based on the theory of Gamma-convergence (Agostiniani and DeSimone in Meccanica. doi:10.1007/s11012-017-0630-4, 2017, Math Mech Solids. doi:10.1177/1081286517699991, arXiv:1509.07003, 2017). We argue that pre-stretched bilayer sheets provide us with an interesting model system to study shape programming and morphing of surfaces in other, more complex systems, where spontaneous deformations are induced by swelling due to the absorption of a liquid, phase transformations, thermal or electro-magnetic stimuli. These include bio-mimetic structures inspired by biological systems from both the plant and the animal kingdoms.

  7. Determination of atomic cluster structure with cluster fusion algorithm

    DEFF Research Database (Denmark)

    Obolensky, Oleg I.; Solov'yov, Ilia; Solov'yov, Andrey V.

    2005-01-01

    We report an efficient scheme of global optimization, called cluster fusion algorithm, which has proved its reliability and high efficiency in determination of the structure of various atomic clusters.......We report an efficient scheme of global optimization, called cluster fusion algorithm, which has proved its reliability and high efficiency in determination of the structure of various atomic clusters....

  8. Twisted Bilayer Graphene. Interlayer configuration and magnetotransport signatures

    Energy Technology Data Exchange (ETDEWEB)

    Rode, Johannes C.; Smirnov, Dmitri; Belke, Christopher; Schmidt, Hennrik; Haug, Rolf J. [Institut fuer Festkoerperphysik, Hannover (Germany)

    2017-11-15

    Twisted Bilayer Graphene may be viewed as very first representative of the now booming class of artificially layered 2D materials. Consisting of two sheets from the same structure and atomic composition, its decisive degree of freedom lies in the rotation between crystallographic axes in the individual graphene monolayers. Geometrical consideration finds angle-dependent Moire patterns as well as commensurate superlattices of opposite sublattice exchange symmetry. Beyond the approach of rigidly interposed lattices, this review takes focus on the evolving topic of lattice corrugation and distortion in response to spatially varying lattice registry. The experimental approach to twisted bilayers requires a basic control over preparation techniques; important methods are summarized and extended on in the case of bilayers folded from monolayer graphene via AFM nanomachining. Central morphological parameters to the twisted bilayer, rotational mismatch and interlayer separation are studied in a broader base of samples. Finally, experimental evidence for a number of theoretically predicted, controversial electronic scenarios are reviewed; magnetotransport signatures are discussed in terms of Fermi velocity, van Hove singularities and Berry phase and assessed with respect to the underlying experimental conditions, thereby referring back to the initially considered variations in relaxed lattice structure. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Structure of catalase determined by MicroED

    Science.gov (United States)

    Nannenga, Brent L; Shi, Dan; Hattne, Johan; Reyes, Francis E; Gonen, Tamir

    2014-01-01

    MicroED is a recently developed method that uses electron diffraction for structure determination from very small three-dimensional crystals of biological material. Previously we used a series of still diffraction patterns to determine the structure of lysozyme at 2.9 Å resolution with MicroED (Shi et al., 2013). Here we present the structure of bovine liver catalase determined from a single crystal at 3.2 Å resolution by MicroED. The data were collected by continuous rotation of the sample under constant exposure and were processed and refined using standard programs for X-ray crystallography. The ability of MicroED to determine the structure of bovine liver catalase, a protein that has long resisted atomic analysis by traditional electron crystallography, demonstrates the potential of this method for structure determination. DOI: http://dx.doi.org/10.7554/eLife.03600.001 PMID:25303172

  10. Asymmetric intermixing in Co/Ti bilayer

    International Nuclear Information System (INIS)

    Suele, P.; Kotis, L.; Toth, L.; Menyhard, M.; Egelhoff, W.F.

    2008-01-01

    Recently we have studied the ion mixing of mass-anisotropic bilayer and found strong asymmetry depending on the succession of the layers [P. Suele, M. Menyhard, L. Kotis, J. Labar, W.F. Egelhoff Jr., J. Appl. Phys. 101 (2007) 043502]. The finding was explained by the mass difference of the constituents. To check the validity of explanation we studied the interface broadening of Co/Ti and Ti/Co bilayers due to low-energy ion bombardment. We have applied Auger electron spectroscopy depth profiling and molecular dynamics simulation to determine the intermixing. Since the Co/Ti system is nearly mass isotropic the ballistic intermixing mechanism can be ruled out and no asymmetry is expected. In contrary to the expectation both methods showed asymmetry of intermixing at bombardment of 2 keV ion energy. The asymmetry vanishes progressively with decreasing ion energy. We suggest that atomic size-anisotropy could play some role in the enhancement of interdiffusion of Co in Ti

  11. The Influence of Cholesterol on Fast Dynamics Inside of Vesicle and Planar Phospholipid Bilayers Measured with 2D IR Spectroscopy.

    Science.gov (United States)

    Kel, Oksana; Tamimi, Amr; Fayer, Michael D

    2015-07-23

    Phospholipid bilayers are frequently used as models for cell membranes. Here the influence of cholesterol on the structural dynamics in the interior of 1,2-dilauroyl-sn-glycero-3-phosphocholine (dilauroylphosphatidylcholine, DLPC) vesicles and DLPC planar bilayers are investigated as a function of cholesterol concentration. 2D IR vibrational echo spectroscopy was performed on the antisymmetric CO stretch of the vibrational probe molecule tungsten hexacarbonyl, which is located in the interior alkyl regions of the bilayers. The 2D IR experiments measure spectral diffusion, which is caused by the structural fluctuations of the bilayers. The 2D IR measurements show that the bilayer interior alkyl region dynamics occur on time scales ranging from a few picoseconds to many tens of picoseconds. These are the time scales of the bilayers' structural dynamics, which act as the dynamic solvent bath for chemical processes of membrane biomolecules. The results suggest that at least a significant fraction of the dynamics arise from density fluctuations. Samples are studied in which the cholesterol concentration is varied from 0% to 40% in both the vesicles (72 nm diameter) and fully hydrated planar bilayers in the form of aligned multibilayers. At all cholesterol concentrations, the structural dynamics are faster in the curved vesicle bilayers than in the planar bilayers. As the cholesterol concentration is increased, at a certain concentration there is a sudden change in the dynamics, that is, the dynamics abruptly slow down. However, this change occurs at a lower concentration in the vesicles (between 10% and 15% cholesterol) than in the planar bilayers (between 25% and 30% cholesterol). The sudden change in the dynamics, in addition to other IR observables, indicates a structural transition. However, the results show that the cholesterol concentration at which the transition occurs is influenced by the curvature of the bilayers.

  12. Phase diagram of classical electronic bilayers

    International Nuclear Information System (INIS)

    Ranganathan, S; Johnson, R E

    2006-01-01

    Extensive molecular dynamics calculations have been performed on classical, symmetric electronic bilayers at various values of the coupling strength Γ and interlayer separation d to delineate its phase diagram in the Γ-d plane. We studied the diffusion, the amplitude of the main peak of the intralayer static structure factor and the peak positions of the intralayer pair correlation function with the aim of defining equivalent signatures of freezing and constructing the resulting phase diagram. It is found that for Γ greater than 75, crystalline structures exist for a certain range of interlayer separations, while liquid phases are favoured at smaller and larger d. It is seen that there is good agreement between our phase diagram and previously published ones

  13. Phase diagram of classical electronic bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Ranganathan, S [Department of Physics, Royal Military College of Canada, Kingston, Ontario K7K 7B4 (Canada); Johnson, R E [Department of Mathematics and Computer Science, Royal Military College of Canada, Kingston, Ontario K7K 7B4 (Canada)

    2006-04-28

    Extensive molecular dynamics calculations have been performed on classical, symmetric electronic bilayers at various values of the coupling strength {gamma} and interlayer separation d to delineate its phase diagram in the {gamma}-d plane. We studied the diffusion, the amplitude of the main peak of the intralayer static structure factor and the peak positions of the intralayer pair correlation function with the aim of defining equivalent signatures of freezing and constructing the resulting phase diagram. It is found that for {gamma} greater than 75, crystalline structures exist for a certain range of interlayer separations, while liquid phases are favoured at smaller and larger d. It is seen that there is good agreement between our phase diagram and previously published ones.

  14. Focused-ion-beam induced interfacial intermixing of magnetic bilayers for nanoscale control of magnetic properties

    International Nuclear Information System (INIS)

    Burn, D M; Atkinson, D; Hase, T P A

    2014-01-01

    Modification of the magnetic properties in a thin-film ferromagnetic/non-magnetic bilayer system by low-dose focused ion-beam (FIB) induced intermixing is demonstrated. The highly localized capability of FIB may be used to locally control magnetic behaviour at the nanoscale. The magnetic, electronic and structural properties of NiFe/Au bilayers were investigated as a function of the interfacial structure that was actively modified using focused Ga + ion irradiation. Experimental work used MOKE, SQUID, XMCD as well as magnetoresistance measurements to determine the magnetic behavior and grazing incidence x-ray reflectivity to elucidate the interfacial structure. Interfacial intermixing, induced by low-dose irradiation, is shown to lead to complex changes in the magnetic behavior that are associated with monotonic structural evolution of the interface. This behavior may be explained by changes in the local atomic environment within the interface region resulting in a combination of processes including the loss of moment on Ni and Fe, an induced moment on Au and modifications to the spin-orbit coupling between Au and NiFe. (paper)

  15. Neutrons in studies of phospholipid bilayers and bilayer–drug interaction. I. Basic principles and neutron diffraction

    Directory of Open Access Journals (Sweden)

    Belička M.

    2014-12-01

    Full Text Available In our paper, we demonstrate several possibilities of using neutrons in pharmaceutical research with the help of examples of scientific results achieved at our University. In this first part, basic properties of neutrons and elementary principles of elastic scattering of thermal neutrons are described. Results of contrast variation neutron diffraction on oriented phospholipid bilayers with intercalated local anaesthetic or cholesterol demonstrate the potential of this method at determination of their position in bilayers. Diffraction experiments with alkan-1-ols located in the bilayers revealed their influence on bilayer thickness as a function of their alkyl chain length.

  16. Probing topology and dynamics of the second transmembrane domain (M2δ) of the acetyl choline receptor using magnetically aligned lipid bilayers (bicelles) and EPR spectroscopy.

    Science.gov (United States)

    Sahu, Indra D; Mayo, Daniel J; Subbaraman, Nidhi; Inbaraj, Johnson J; McCarrick, Robert M; Lorigan, Gary A

    2017-08-01

    Characterizing membrane protein structure and dynamics in the lipid bilayer membrane is very important but experimentally challenging. EPR spectroscopy offers a unique set of techniques to investigate a membrane protein structure, dynamics, topology, and distance constraints in lipid bilayers. Previously our lab demonstrated the use of magnetically aligned phospholipid bilayers (bicelles) for probing topology and dynamics of the membrane peptide M2δ of the acetyl choline receptor (AchR) as a proof of concept. In this study, magnetically aligned phospholipid bilayers and rigid spin labels were further utilized to provide improved dynamic information and topology of M2δ peptide. Seven TOAC-labeled AchR M2δ peptides were synthesized to demonstrate the utility of a multi-labeling amino acid substitution alignment strategy. Our data revealed the helical tilts to be 11°, 17°, 9°, 17°, 16°, 11°, 9°±4° for residues I7TOAC, Q13TOAC, A14TOAC, V15TOAC, C16TOAC, L17TOAC, and L18TOAC, respectively. The average helical tilt of the M2δ peptide was determined to be ∼13°. This study also revealed that the TOAC labels were attached to the M2δ peptide with different dynamics suggesting that the sites towards the C-terminal end are more rigid when compared to the sites towards the N-terminus. The dynamics of the TOAC labeled sites were more resolved in the aligned samples when compared to the randomly disordered samples. This study highlights the use of magnetically aligned lipid bilayer EPR technique to determine a more accurate helical tilt and more resolved local dynamics of AchR M2δ peptide. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Lepromatous leprosy patients produce antibodies that recognise non-bilayer lipid arrangements containing mycolic acids

    Directory of Open Access Journals (Sweden)

    Isabel Baeza

    2012-12-01

    Full Text Available Non-bilayer phospholipid arrangements are three-dimensional structures that form when anionic phospholipids with an intermediate structure of the tubular hexagonal phase II are present in a bilayer of lipids. Antibodies that recognise these arrangements have been described in patients with antiphospholipid syndrome and/or systemic lupus erythematosus and in those with preeclampsia; these antibodies have also been documented in an experimental murine model of lupus, in which they are associated with immunopathology. Here, we demonstrate the presence of antibodies against non-bilayer phospholipid arrangements containing mycolic acids in the sera of lepromatous leprosy (LL patients, but not those of healthy volunteers. The presence of antibodies that recognise these non-bilayer lipid arrangements may contribute to the hypergammaglobulinaemia observed in LL patients. We also found IgM and IgG anti-cardiolipin antibodies in 77% of the patients. This positive correlation between the anti-mycolic-non-bilayer arrangements and anti-cardiolipin antibodies suggests that both types of antibodies are produced by a common mechanism, as was demonstrated in the experimental murine model of lupus, in which there was a correlation between the anti-non-bilayer phospholipid arrangements and anti-cardiolipin antibodies. Antibodies to non-bilayer lipid arrangements may represent a previously unrecognised pathogenic mechanism in LL and the detection of these antibodies may be a tool for the early diagnosis of LL patients.

  18. Multi-Stacked Supported Lipid Bilayer Micropatterning through Polymer Stencil Lift-Off

    Directory of Open Access Journals (Sweden)

    Yujie Zhu

    2015-08-01

    Full Text Available Complex multi-lamellar structures play a critical role in biological systems, where they are present as lamellar bodies, and as part of biological assemblies that control energy transduction processes. Multi-lamellar lipid layers not only provide interesting systems for fundamental research on membrane structure and bilayer-associated polypeptides, but can also serve as components in bioinspired materials or devices. Although the ability to pattern stacked lipid bilayers at the micron scale is of importance for these purposes, limited work has been done in developing such patterning techniques. Here, we present a simple and direct approach to pattern stacked supported lipid bilayers (SLBs using polymer stencil lift-off and the electrostatic interactions between cationic and anionic lipids. Both homogeneous and phase-segregated stacked SLB patterns were produced, demonstrating that the stacked lipid bilayers retain lateral diffusivity. We demonstrate patterned SLB stacks of up to four bilayers, where fluorescence resonance energy transfer (FRET and quenching was used to probe the interactions between lipid bilayers. Furthermore, the study of lipid phase behaviour showed that gel phase domains align between adjacent layers. The proposed stacked SLB pattern platform provides a robust model for studying lipid behaviour with a controlled number of bilayers, and an attractive means towards building functional bioinspired materials or devices.

  19. Electronic transport in bilayer graphene

    International Nuclear Information System (INIS)

    Koshino, Mikito

    2009-01-01

    We present theoretical studies on the transport properties and localization effects of bilayer graphene. We calculate the conductivity by using the effective mass model with the self-consistent Born approximation, in the presence and absence of an energy gap opened by the interlayer asymmetry. We find that, in the absence of the gap, the minimum conductivity approaches the universal value by increasing the disorder potential, and the value is robust in the strong disorder regime where mixing with high-energy states is considerable. The gap-opening suppresses the conductivity over a wide energy range, even in the region away from the gap.We also study the localization effects in the vicinity of zero energy in bilayer graphene. We find that the states are all localized in the absence of the gap, while the gap-opening causes a phase transition analogous to the quantum Hall transition, which is accompanied by electron delocalization.

  20. Cyclotron resonance in bilayer graphene.

    Science.gov (United States)

    Henriksen, E A; Jiang, Z; Tung, L-C; Schwartz, M E; Takita, M; Wang, Y-J; Kim, P; Stormer, H L

    2008-02-29

    We present the first measurements of cyclotron resonance of electrons and holes in bilayer graphene. In magnetic fields up to B=18 T, we observe four distinct intraband transitions in both the conduction and valence bands. The transition energies are roughly linear in B between the lowest Landau levels, whereas they follow square root[B] for the higher transitions. This highly unusual behavior represents a change from a parabolic to a linear energy dispersion. The density of states derived from our data generally agrees with the existing lowest order tight binding calculation for bilayer graphene. However, in comparing data to theory, a single set of fitting parameters fails to describe the experimental results.

  1. Proton permeation of lipid bilayers.

    Science.gov (United States)

    Deamer, D W

    1987-10-01

    Proton permeation of the lipid bilayer barrier has two unique features. First, permeability coefficients measured at neutral pH ranges are six to seven orders of magnitude greater than expected from knowledge of other monovalent cations. Second, proton conductance across planar lipid bilayers varies at most by a factor of 10 when pH is varied from near 1 to near 11. Two mechanisms have been proposed to account for this anomalous behavior: proton conductance related to contaminants of lipid bilayers, and proton translocation along transient hydrogen-bonded chains (tHBC) of associated water molecules in the membrane. The weight of evidence suggests that trace contaminants may contribute to proton conductance across planar lipid membranes at certain pH ranges, but cannot account for the anomalous proton flux in liposome systems. Two new results will be reported here which were designed to test the tHBC model. These include measurements of relative proton/potassium permeability in the gramicidin channel, and plots of proton flux against the magnitude of pH gradients. (1) The relative permeabilities of protons and potassium through the gramicidin channel, which contains a single strand of hydrogen-bonded water molecules, were found to differ by at least four orders of magnitude when measured at neutral pH ranges. This result demonstrates that a hydrogen-bonded chain of water molecules can provide substantial discrimination between protons and other cations. It was also possible to calculate that if approximately 7% of bilayer water was present in a transient configuration similar to that of the gramicidin channel, it could account for the measured proton flux. (2) The plot of proton conductance against pH gradient across liposome membranes was superlinear, a result that is consistent with one of three alternative tHBC models for proton conductance described by Nagle elsewhere in this volume.

  2. Rapid and reliable protein structure determination via chemical shift threading.

    Science.gov (United States)

    Hafsa, Noor E; Berjanskii, Mark V; Arndt, David; Wishart, David S

    2018-01-01

    Protein structure determination using nuclear magnetic resonance (NMR) spectroscopy can be both time-consuming and labor intensive. Here we demonstrate how chemical shift threading can permit rapid, robust, and accurate protein structure determination using only chemical shift data. Threading is a relatively old bioinformatics technique that uses a combination of sequence information and predicted (or experimentally acquired) low-resolution structural data to generate high-resolution 3D protein structures. The key motivations behind using NMR chemical shifts for protein threading lie in the fact that they are easy to measure, they are available prior to 3D structure determination, and they contain vital structural information. The method we have developed uses not only sequence and chemical shift similarity but also chemical shift-derived secondary structure, shift-derived super-secondary structure, and shift-derived accessible surface area to generate a high quality protein structure regardless of the sequence similarity (or lack thereof) to a known structure already in the PDB. The method (called E-Thrifty) was found to be very fast (often chemical shift refinement, these results suggest that protein structure determination, using only NMR chemical shifts, is becoming increasingly practical and reliable. E-Thrifty is available as a web server at http://ethrifty.ca .

  3. The interaction of new piroxicam analogues with lipid bilayers--a calorimetric and fluorescence spectroscopic study.

    Science.gov (United States)

    Maniewska, Jadwiga; Szczęśniak-Sięga, Berenika; Poła, Andrzej; Sroda-Pomianek, Kamila; Malinka, Wiesław; Michalak, Krystyna

    2014-01-01

    The purpose of the present paper was to assess the ability of new piroxicam analogues to interact with the lipid bilayers. The results of calorimetric and fluorescence spectroscopic experiments of two new synthesized analogues of piroxicam, named PR17 and PR18 on the phase behavior of phospholipid bilayers and fluorescence quenching of fluorescent probes (Laurdan and Prodan), which molecular location within membranes is known with certainty, are shown in present work. The presented results revealed that, depending on the details of chemical structure, the studied compounds penetrated the lipid bilayers.

  4. Controlled release from bilayer-decorated magnetoliposomes via electromagnetic heating.

    Science.gov (United States)

    Chen, Yanjing; Bose, Arijit; Bothun, Geoffrey D

    2010-06-22

    Nanoscale assemblies that can be activated and controlled through external stimuli represent a next stage in multifunctional therapeutics. We report the formation, characterization, and release properties of bilayer-decorated magnetoliposomes (dMLs) that were prepared by embedding small hydrophobic SPIO nanoparticles at different lipid molecule to nanoparticle ratios within dipalmitoylphosphatidylcholine (DPPC) bilayers. The dML structure was examined by cryogenic transmission electron microscopy and differential scanning calorimetry, and release was examined by carboxyfluorescein leakage. Nanoparticle heating using alternating current electromagnetic fields (EMFs) operating at radio frequencies provided selective release of the encapsulated molecule at low nanoparticle concentrations and under physiologically acceptable EMF conditions. Without radio frequency heating, spontaneous leakage from the dMLs decreased with increasing nanoparticle loading, consistent with greater bilayer stability and a decrease in the effective dML surface area due to aggregation. With radio frequency heating, the initial rate and extent of leakage increased significantly as a function of nanoparticle loading and electromagnetic field strength. The mechanism of release is attributed to a combination of bilayer permeabilization and partial dML rupture.

  5. Inducing morphological changes in lipid bilayer membranes with microfabricated substrates

    Science.gov (United States)

    Liu, Fangjie; Collins, Liam F.; Ashkar, Rana; Heberle, Frederick A.; Srijanto, Bernadeta R.; Collier, C. Patrick

    2016-11-01

    Lateral organization of lipids and proteins into distinct domains and anchoring to a cytoskeleton are two important strategies employed by biological membranes to carry out many cellular functions. However, these interactions are difficult to emulate with model systems. Here we use the physical architecture of substrates consisting of arrays of micropillars to systematically control the behavior of supported lipid bilayers - an important step in engineering model lipid membrane systems with well-defined functionalities. Competition between attractive interactions of supported lipid bilayers with the underlying substrate versus the energy cost associated with membrane bending at pillar edges can be systematically investigated as functions of pillar height and pitch, chemical functionalization of the microstructured substrate, and the type of unilamellar vesicles used for assembling the supported bilayer. Confocal fluorescent imaging and AFM measurements highlight correlations that exist between topological and mechanical properties of lipid bilayers and lateral lipid mobility in these confined environments. This study provides a baseline for future investigations into lipid domain reorganization on structured solid surfaces and scaffolds for cell growth.

  6. De novo protein structure determination using sparse NMR data

    International Nuclear Information System (INIS)

    Bowers, Peter M.; Strauss, Charlie E.M.; Baker, David

    2000-01-01

    We describe a method for generating moderate to high-resolution protein structures using limited NMR data combined with the ab initio protein structure prediction method Rosetta. Peptide fragments are selected from proteins of known structure based on sequence similarity and consistency with chemical shift and NOE data. Models are built from these fragments by minimizing an energy function that favors hydrophobic burial, strand pairing, and satisfaction of NOE constraints. Models generated using this procedure with ∼1 NOE constraint per residue are in some cases closer to the corresponding X-ray structures than the published NMR solution structures. The method requires only the sparse constraints available during initial stages of NMR structure determination, and thus holds promise for increasing the speed with which protein solution structures can be determined

  7. Cryo-EM Structure Determination Using Segmented Helical Image Reconstruction.

    Science.gov (United States)

    Fromm, S A; Sachse, C

    2016-01-01

    Treating helices as single-particle-like segments followed by helical image reconstruction has become the method of choice for high-resolution structure determination of well-ordered helical viruses as well as flexible filaments. In this review, we will illustrate how the combination of latest hardware developments with optimized image processing routines have led to a series of near-atomic resolution structures of helical assemblies. Originally, the treatment of helices as a sequence of segments followed by Fourier-Bessel reconstruction revealed the potential to determine near-atomic resolution structures from helical specimens. In the meantime, real-space image processing of helices in a stack of single particles was developed and enabled the structure determination of specimens that resisted classical Fourier helical reconstruction and also facilitated high-resolution structure determination. Despite the progress in real-space analysis, the combination of Fourier and real-space processing is still commonly used to better estimate the symmetry parameters as the imposition of the correct helical symmetry is essential for high-resolution structure determination. Recent hardware advancement by the introduction of direct electron detectors has significantly enhanced the image quality and together with improved image processing procedures has made segmented helical reconstruction a very productive cryo-EM structure determination method. © 2016 Elsevier Inc. All rights reserved.

  8. Energy spectrums of bilayer triangular phosphorene quantum dots and antidots

    Directory of Open Access Journals (Sweden)

    Z. T. Jiang

    2017-04-01

    Full Text Available We theoretically investigate the confined states of the bilayer triangular phosphorene dots and antidots by means of the tight-binding approach. The dependence of the energy levels on the size, the type of the boundary edges, and the orientation of the dots and antidots, and the influences of the electric and magnetic fields on the energy levels, are all completely analyzed. It is found that the energy level numbers of the bilayer dots and antidots are determined by the energy levels in two layers. The external electric field can effectively tune the energy levels of the edge states in both layers to move in opposite directions. With the increase of the magnetic field, the magnetic energy levels can approach the Landau levels of the phosphorene monolayer, the phosphorene bilayer, or both, depending on the specific geometry of the monolayer-bilayer hybrid phosphorene quantum dots. This research should be helpful for the overall understanding of the electronic properties of the multilayer hybrid phosphorene nanostructures and designing the corresponding phosphorene devices.

  9. Coexistence of a two-states organization for a cell-penetrating peptide in lipid bilayer.

    Science.gov (United States)

    Plénat, Thomas; Boichot, Sylvie; Dosset, Patrice; Milhiet, Pierre-Emmanuel; Le Grimellec, Christian

    2005-12-01

    Primary amphipathic cell-penetrating peptides transport cargoes across cell membranes with high efficiency and low lytic activity. These primary amphipathic peptides were previously shown to form aggregates or supramolecular structures in mixed lipid-peptide monolayers, but their behavior in lipid bilayers remains to be characterized. Using atomic force microscopy, we have examined the interactions of P(alpha), a primary amphipathic cell-penetrating peptide which remains alpha-helical whatever the environment, with dipalmitoylphosphatidylcholine (DPPC) bilayers. Addition of P(alpha) at concentrations up to 5 mol % markedly modified the supported bilayers topography. Long and thin filaments lying flat at the membrane surface coexisted with deeply embedded peptides which induced a local thinning of the bilayer. On the other hand, addition of P(alpha) only exerted very limited effects on the corresponding liposome's bilayer physical state, as estimated from differential scanning calorimetry and diphenylhexatriene fluorescence anisotropy experiments. The use of a gel-fluid phase separated supported bilayers made of a dioleoylphosphatidylcholine/dipalmitoylphosphatidylcholine mixture confirmed both the existence of long filaments, which at low peptide concentration were preferentially localized in the fluid phase domains and the membrane disorganizing effects of 5 mol % P(alpha). The simultaneous two-states organization of P(alpha), at the membrane surface and deeply embedded in the bilayer, may be involved in the transmembrane carrier function of this primary amphipathic peptide.

  10. Assessment of bilayer silicene to probe as quantum spin and valley Hall effect

    Science.gov (United States)

    Rehman, Majeed Ur; Qiao, Zhenhua

    2018-02-01

    Silicene takes precedence over graphene due to its buckling type structure and strong spin orbit coupling. Motivated by these properties, we study the silicene bilayer in the presence of applied perpendicular electric field and intrinsic spin orbit coupling to probe as quantum spin/valley Hall effect. Using analytical approach, we calculate the spin Chern-number of bilayer silicene and then compare it with monolayer silicene. We reveal that bilayer silicene hosts double spin Chern-number as compared to single layer silicene and therefore accordingly has twice as many edge states in contrast to single layer silicene. In addition, we investigate the combined effect of intrinsic spin orbit coupling and the external electric field, we find that bilayer silicene, likewise single layer silicene, goes through a phase transitions from a quantum spin Hall state to a quantum valley Hall state when the strength of the applied electric field exceeds the intrinsic spin orbit coupling strength. We believe that the results and outcomes obtained for bilayer silicene are experimentally more accessible as compared to bilayer graphene, because of strong SO coupling in bilayer silicene.

  11. SFG studies on interactions between antimicrobial peptides and supported lipid bilayers.

    Science.gov (United States)

    Chen, Xiaoyun; Chen, Zhan

    2006-09-01

    The mode of action of antimicrobial peptides (AMPs) in disrupting cell membrane bilayers is of fundamental importance in understanding the efficiency of different AMPs, which is crucial to design antibiotics with improved properties. Recent developments in the field of sum frequency generation (SFG) vibrational spectroscopy have made it a powerful and unique biophysical technique in investigating the interactions between AMPs and a single substrate supported planar lipid bilayer. We will review some of the recent progress in applying SFG to study membrane lipid bilayers and discuss how SFG can provide novel information such as real-time bilayer structure change and AMP orientation during AMP-lipid bilayer interactions in a very biologically relevant manner. Several examples of applying SFG to monitor such interactions between AMPs and a dipalmitoyl phosphatidylglycerol (DPPG) bilayer are presented. Different modes of actions are observed for melittin, tachyplesin I, d-magainin 2, MSI-843, and a synthetic antibacterial oligomer, demonstrating that SFG is very effective in the study of AMPs and AMP-lipid bilayer interactions.

  12. Subterahertz Longitudinal Phonon Modes Propagating in a Lipid Bilayer Immersed in an Aqueous Medium

    Science.gov (United States)

    Zakhvataev, V. E.

    2018-04-01

    The properties of subterahertz longitudinal acoustic phonon modes in the hydrophobic region of a lipid bilayer immersed in a compressible viscous aqueous medium are investigated theoretically. An approximate expression is obtained for the Mandelstam-Brillouin components of the dynamic structure factor of a bilayer. The analysis is based on a generalized hydrodynamic model of the "two-dimensional lipid bilayer + three-dimensional fluid medium" system, as well as on known sharp estimates for the frequencies and lifetimes of long-wavelength longitudinal acoustic phonons in a free hydrated lipid bilayer and in water, obtained from inelastic X-ray scattering experiments and molecular dynamics simulations. It is shown that, for characteristic values of the parameters of the membrane system, subterahertz longitudinal phonon-like excitations in the hydrophobic part of the bilayer are underdamped. In this case, the contribution of the viscous flow of the aqueous medium to the damping of a longitudinal membrane mode is small compared with the contribution of the lipid bilayer. Quantitative estimates of the damping ratio agree well with the experimental results for the vibration mode of the enzyme lysozyme in aqueous solution [1]. It is also shown that a coupling between longitudinal phonon modes of the bilayer and relaxation processes in its fluid environment gives rise to an additional peak in the scattering spectrum, which corresponds to a non-propagating mode.

  13. Cholesterol effect on water permeability through DPPC and PSM lipid bilayers: a molecular dynamics study.

    Science.gov (United States)

    Saito, Hiroaki; Shinoda, Wataru

    2011-12-29

    Water permeability of two different lipid bilayers of dipalmitoylphosphatidylcholine (DPPC) and palmitoylsphingomyelin (PSM) in the absence and presence of cholesterol (0-50 mol %) have been studied by molecular dynamics simulations to elucidate the molecular mechanism of the reduction in water leakage across the membranes by the addition of cholesterol. An enhanced free energy barrier was observed in these membranes with increased cholesterol concentration, and this was explained by the reduced cavity density around the cholesterol in the hydrophobic membrane core. There was an increase of trans conformers in the hydrophobic lipid chains adjacent to the cholesterol, which reduced the cavity density. The enhanced free energy barrier was found to be the main reason to reduce the water permeability with increased cholesterol concentration. At low cholesterol concentrations the PSM bilayer exhibited a higher free energy barrier than the DPPC bilayer for water permeation, while at greater than 30 mol % of cholesterol the difference became minor. This tendency for the PSM and DPPC bilayers to resemble each other at higher cholesterol concentrations was similar to commonly observed trends in several structural properties, such as order parameters, cross-sectional area per molecule, and cavity density profiles in the hydrophobic regions of bilayer membranes. These results demonstrate that DPPC and PSM bilayers with high cholesterol contents possess similar physical properties, which suggests that the solubility of cholesterol in these lipid bilayers has importance for an understanding of multicomponent lipid membranes with cholesterol. © 2011 American Chemical Society

  14. Band engineering in twisted molybdenum disulfide bilayers

    Science.gov (United States)

    Zhao, Yipeng; Liao, Chengwei; Ouyang, Gang

    2018-05-01

    In order to explore the theoretical relationship between interlayer spacing, interaction and band offset at the atomic level in vertically stacked two-dimensional (2D) van der Waals (vdW) structures, we propose an analytical model to address the evolution of interlayer vdW coupling with random stacking configurations in MoS2 bilayers based on the atomic-bond-relaxation correlation mechanism. We found that interlayer spacing changes substantially with respect to the orientations, and the bandgap increases from 1.53 eV (AB stacking) to 1.68 eV (AA stacking). Our results reveal that the evolution of interlayer vdW coupling originates from the interlayer interaction, leading to interlayer separations and electronic properties changing with stacking configurations. Our predictions constitute a demonstration of twist engineering the band shift in the emergent class of 2D crystals, transition-metal dichalcogenides.

  15. Determinants of capital structure and financial crisis impact: evidence

    OpenAIRE

    Proença, Pedro Miguel Correia

    2012-01-01

    Mestrado em contabilidade The objectives of this empirical work are to investigate the determinants of Portuguese SMEs capital structure, evaluate whether and how the impacts of those determinants affect the debt ratios and examine the effects of financial crisis and industry on Portuguese SMEs capital structure. The sample used considers the period 2007-2010, resulting in 12.857 Portugues e SMEs per year observations. R...

  16. A Neutron View of Proteins in Lipid Bilayers

    Science.gov (United States)

    White, Stephen

    2012-02-01

    Despite the growing number of atomic-resolution membrane protein structures, direct structural information about proteins in their native membrane environment is scarce. This problem is particularly relevant in the case of the highly-charged S1-S4 voltage- sensing domains responsible for nerve impulses, where interactions with the lipid bilayer are critical for the function of voltage-activated potassium channels. We have used neutron diffraction, solid-state nuclear magnetic resonance spectroscopy, and molecular dynamics simulations to investigate the structure and hydration of bilayer membranes containing S1-S4 voltage-sensing domains. Our results show that voltage sensors adopt transmembrane orientations, cause a modest reshaping of the surrounding lipid bilayer, and that water molecules intimately interact with the protein within the membrane. These structural findings reveal that voltage sensors have evolved to interact with the lipid membrane while keeping the energetic and structural perturbations to a minimum, and that water penetrates into the membrane to hydrate charged residues and shape the transmembrane electric field.

  17. Transaction cost determinants of credit governance structures of ...

    African Journals Online (AJOL)

    This paper explores transaction cost determinants of credit governance structures (CGS) of commercial banks in Tanzania. Descriptive statistics, linear regression model, binary and multinomial logistic regression models were employed for analysis. Findings revealed four modes of credit governance structures that are ...

  18. Evaluation of the performance characteristics of bilayer tablets: Part II. Impact of environmental conditions on the strength of bilayer tablets.

    Science.gov (United States)

    Kottala, Niranjan; Abebe, Admassu; Sprockel, Omar; Bergum, James; Nikfar, Faranak; Cuitiño, Alberto M

    2012-12-01

    Ambient air humidity and temperature are known to influence the mechanical strength of tablets. The objective of this work is to understand the influence of processing parameters and environmental conditions (humidity and temperature) on the strength of bilayer tablets. As part of this study, bilayer tablets were compressed with different layer ratios, dwell times, layer sequences, material properties (plastic and brittle), first and second layer forces, and lubricant concentrations. Compressed tablets were stored in stability chambers controlled at predetermined conditions (40C/45%RH, 40C/75%RH) for 1, 3, and 5 days. The axial strength of the stored tablets was measured and a statistical model was developed to determine the effects of the aforementioned factors on the strength of bilayer tablets. As part of this endeavor, a full 3 × 2(4) factorial design was executed. Responses of the experiments were analyzed using PROC GLM of SAS (SAS Institute Inc, Cary, North Carolina, USA). A model was fit using all the responses to determine the significant interactions (p < 0.05). Results of this study indicated that storage conditions and storage time have significant impact on the strength of bilayer tablets. For Avicel-lactose and lactose-Avicel tablets, tablet strength decreased with the increasing humidity and storage time. But for lactose-lactose tablets, due to the formation of solid bridges upon storage, an increase in tablet strength was observed. Significant interactions were observed between processing parameters and storage conditions on the strength of bilayer tablets.

  19. The Determinants of Capital Structure: Some Evidence from Banks

    OpenAIRE

    Heider, Florian; Gropp, Reint

    2008-01-01

    This paper documents that standard cross-sectional determinants of firm leverage also apply to the capital structure of large banks in the United States and Europe. We find a remarkable consistency in sign, significance and economic magnitude. Like non-financial firms, banks appear to have stable capital structures at levels that are specific to each individual bank. The results suggest that capital requirements may only be of second-order importance for banks’ capital structures and confirm ...

  20. Regulation of membrane protein function by lipid bilayer elasticity-a single molecule technology to measure the bilayer properties experienced by an embedded protein

    International Nuclear Information System (INIS)

    Lundbaek, Jens August

    2006-01-01

    Membrane protein function is generally regulated by the molecular composition of the host lipid bilayer. The underlying mechanisms have long remained enigmatic. Some cases involve specific molecular interactions, but very often lipids and other amphiphiles, which are adsorbed to lipid bilayers, regulate a number of structurally unrelated proteins in an apparently non-specific manner. It is well known that changes in the physical properties of a lipid bilayer (e.g., thickness or monolayer spontaneous curvature) can affect the function of an embedded protein. However, the role of such changes, in the general regulation of membrane protein function, is unclear. This is to a large extent due to lack of a generally accepted framework in which to understand the many observations. The present review summarizes studies which have demonstrated that the hydrophobic interactions between a membrane protein and the host lipid bilayer provide an energetic coupling, whereby protein function can be regulated by the bilayer elasticity. The feasibility of this 'hydrophobic coupling mechanism' has been demonstrated using the gramicidin channel, a model membrane protein, in planar lipid bilayers. Using voltage-dependent sodium channels, N-type calcium channels and GABA A receptors, it has been shown that membrane protein function in living cells can be regulated by amphiphile induced changes in bilayer elasticity. Using the gramicidin channel as a molecular force transducer, a nanotechnology to measure the elastic properties experienced by an embedded protein has been developed. A theoretical and technological framework, to study the regulation of membrane protein function by lipid bilayer elasticity, has been established

  1. Labor Market Structure and Salary Determination among Professional Basketball Players.

    Science.gov (United States)

    Wallace, Michael

    1988-01-01

    The author investigates the labor market structure and determinants of salaries for professional basketball players. An expanded version of the resource perspective is used. A three-tiered model of labor market segmentation is revealed for professional basketball players, but other variables also are important in salary determination. (Author/CH)

  2. Denotational, Causal, and Operational Determinism in Event Structures

    NARCIS (Netherlands)

    Rensink, Arend; Kirchner, H.

    1996-01-01

    Determinism of labelled transition systems and trees is a concept of theoretical and practical importance. We study its generalisation to event structures. It turns out that the result depends on what characterising property of tree determinism one sets out to generalise. We present three distinct

  3. Denotational, Causal, and Operational Determinism in Event Structures

    NARCIS (Netherlands)

    Rensink, Arend

    Determinism is a theoretically and practically important concept in labelled transition systems and trees. We study its generalisation to event structures. It turns out that the result depends on what characterising property of tree determinism one sets out to generalise. We present three distinct

  4. Integral membrane protein structure determination using pseudocontact shifts

    Energy Technology Data Exchange (ETDEWEB)

    Crick, Duncan J.; Wang, Jue X. [University of Cambridge, Department of Biochemistry (United Kingdom); Graham, Bim; Swarbrick, James D. [Monash University, Monash Institute of Pharmaceutical Sciences (Australia); Mott, Helen R.; Nietlispach, Daniel, E-mail: dn206@cam.ac.uk [University of Cambridge, Department of Biochemistry (United Kingdom)

    2015-04-15

    Obtaining enough experimental restraints can be a limiting factor in the NMR structure determination of larger proteins. This is particularly the case for large assemblies such as membrane proteins that have been solubilized in a membrane-mimicking environment. Whilst in such cases extensive deuteration strategies are regularly utilised with the aim to improve the spectral quality, these schemes often limit the number of NOEs obtainable, making complementary strategies highly beneficial for successful structure elucidation. Recently, lanthanide-induced pseudocontact shifts (PCSs) have been established as a structural tool for globular proteins. Here, we demonstrate that a PCS-based approach can be successfully applied for the structure determination of integral membrane proteins. Using the 7TM α-helical microbial receptor pSRII, we show that PCS-derived restraints from lanthanide binding tags attached to four different positions of the protein facilitate the backbone structure determination when combined with a limited set of NOEs. In contrast, the same set of NOEs fails to determine the correct 3D fold. The latter situation is frequently encountered in polytopical α-helical membrane proteins and a PCS approach is thus suitable even for this particularly challenging class of membrane proteins. The ease of measuring PCSs makes this an attractive route for structure determination of large membrane proteins in general.

  5. Structural determination of intact proteins using mass spectrometry

    Science.gov (United States)

    Kruppa, Gary [San Francisco, CA; Schoeniger, Joseph S [Oakland, CA; Young, Malin M [Livermore, CA

    2008-05-06

    The present invention relates to novel methods of determining the sequence and structure of proteins. Specifically, the present invention allows for the analysis of intact proteins within a mass spectrometer. Therefore, preparatory separations need not be performed prior to introducing a protein sample into the mass spectrometer. Also disclosed herein are new instrumental developments for enhancing the signal from the desired modified proteins, methods for producing controlled protein fragments in the mass spectrometer, eliminating complex microseparations, and protein preparatory chemical steps necessary for cross-linking based protein structure determination.Additionally, the preferred method of the present invention involves the determination of protein structures utilizing a top-down analysis of protein structures to search for covalent modifications. In the preferred method, intact proteins are ionized and fragmented within the mass spectrometer.

  6. BIRTHDAY CAKE ACTIVITY STRUCTURED ARRANGEMENT FOR HELPING CHILDREN DETERMINING QUANTITIES

    Directory of Open Access Journals (Sweden)

    Neni Mariana

    2010-07-01

    Full Text Available Few researches have been concerned about relation between children’s spatialthinking and number sense. Narrowing for this small research, we focused onone component of spatial thinking, that is structuring objects, and onecomponent of number senses, that is cardinality by determining quantities. Thisstudy focused on a design research that was conducted in Indonesia in which weinvestigated pre-school children’s (between 2 and 3.5 years old ability inmaking structured arrangement and their ability to determine the quantities bylooking at the arrangements. The result shows us that some of the children wereable to make such arrangement. However, the children found difficulties eitherto determine quantities from those arrangements or to compare some structuresto easily recognize number of objects.Keywords: structures, structured arrangement, cardinality DOI: http://dx.doi.org/10.22342/jme.1.1.790.53-70

  7. Energy group structure determination using particle swarm optimization

    International Nuclear Information System (INIS)

    Yi, Ce; Sjoden, Glenn

    2013-01-01

    Highlights: ► Particle swarm optimization is applied to determine broad group structure. ► A graph representation of the broad group structure problem is introduced. ► The approach is tested on a fuel-pin model. - Abstract: Multi-group theory is widely applied for the energy domain discretization when solving the Linear Boltzmann Equation. To reduce the computational cost, fine group cross libraries are often down-sampled into broad group cross section libraries. Cross section data collapsing generally involves two steps: Firstly, the broad group structure has to be determined; secondly, a weighting scheme is used to evaluate the broad cross section library based on the fine group cross section data and the broad group structure. A common scheme is to average the fine group cross section weighted by the fine group flux. Cross section collapsing techniques have been intensively researched. However, most studies use a pre-determined group structure, open based on experience, to divide the neutron energy spectrum into thermal, epi-thermal, fast, etc. energy range. In this paper, a swarm intelligence algorithm, particle swarm optimization (PSO), is applied to optimize the broad group structure. A graph representation of the broad group structure determination problem is introduced. And the swarm intelligence algorithm is used to solve the graph model. The effectiveness of the approach is demonstrated using a fuel-pin model

  8. Cholesterol Perturbs Lipid Bilayers Nonuniversally

    International Nuclear Information System (INIS)

    Pan Jianjun; Mills, Thalia T.; Tristram-Nagle, Stephanie; Nagle, John F.

    2008-01-01

    Cholesterol is well known to modulate the physical properties of biomembranes. Using modern x-ray scattering methods, we have studied the effects of cholesterol on the bending modulus K C , the thickness D HH , and the orientational order parameter S xray of lipid bilayers. We find that the effects are different for at least three classes of phospholipids characterized by different numbers of saturated hydrocarbon chains. Most strikingly, cholesterol strongly increases K C when both chains of the phospholipid are fully saturated but not at all when there are two monounsaturated chains

  9. Fragmented state of lipid bilayers in water

    DEFF Research Database (Denmark)

    Helfrich, W.; Thimmel, J.; Klösgen, Beate Maria

    1999-01-01

    The bilayers of some typical biological membrane lipids such as PC and DGDG disintegrate in a large excess of water to form an optically invisible dispersive bilayer phase. `Dark bodies' can be reversibly precipitated from it by raising the temperature. The dispersive phase probably consists...

  10. DNA nanotechnology: Bringing lipid bilayers into shape

    Science.gov (United States)

    Howorka, Stefan

    2017-07-01

    Lipid bilayers form the thin and floppy membranes that define the boundary of compartments such as cells. Now, a method to control the shape and size of bilayers using DNA nanoscaffolds has been developed. Such designer materials advance synthetic biology and could find use in membrane research.

  11. Development of XAFS Into a Structure Determination Technique

    Science.gov (United States)

    Stern, E. A.

    After the detection of diffraction of x-rays by M. Laue in 1912, the technique was soon applied to structure determination by Bragg within a year. On the other hand, although the edge steps in X-Ray absorption were discovered even earlier by Barkla and both the near edge (XANES) and extended X-Ray fine structure (EXAFS) past the edge were detected by 1929, it still took over 40 years to realize the structure information contained in this X-Ray absorption fine structure (XAFS). To understand this delay a brief historical review of the development of the scientific ideas that transformed XAFS into the premiere technique for local structure determination is given. The development includes both advances in theoretical understanding and calculational capabilities, and in experimental facilities, especially synchrotron radiation sources. The present state of the XAFS technique and its capabilities are summarized.

  12. Band-gap tunability and dynamical instability in strained monolayer and bilayer phosphorenes

    International Nuclear Information System (INIS)

    Huang, G Q; Xing, Z W

    2015-01-01

    Very recently, field-effect transistors based on few-layer phosphorene crystals with a thickness of down to a few nanometres were successfully fabricated, triggering interest in this new functional two-dimensional material. In this work, we apply first-principles calculations to studying the evolution of electronic and phononic structures with out-of-plane strain for monolayer and bilayer phosphorenes. It is found that the vertical stress can be used to tune the band gap of a semiconducting phosphorene in a wide range. On the other hand, the vertical stress can make the phosphorene lattice become dynamically unstable and surface reconstruction or structural phase transition may occur. Due to the interlayer van der Waals coupling, the dynamically stable range of bilayer phosphorene under vertical stress is wider than that of monolayer phosphorene. It is proposed whether or not a semiconductor-semimetal transition occurring in a strained phosphorene is determined not only by its band gap closing, but also by its lattice stability against strain. This information is essential for the strain engineering of phosphorene and future device fabrication. (paper)

  13. Strain-induced recovery of electronic anisotropy in 90°-twisted bilayer phosphorene

    Science.gov (United States)

    Xie, Jiafeng; Luo, Qiangjun; Jia, Lei; Zhang, Z. Y.; Shi, H. G.; Yang, D. Z.; Si, M. S.

    2018-01-01

    It is well known that anisotropy determines the preferred transport direction of carriers. To manipulate the anisotropy is an exciting topic in two-dimensional materials, where the carriers are confined within individual layers. In this work, it is found that uniaxial strain can tune the electronic anisotropy of the 90°-twisted bilayer phosphorene. In this unique bilayer structure, the zigzag direction of one layer corresponds to the armchair one of the other layer and vice versa. Owing to this complementary structure, the directional (zigzag or armchair) deformation response to strain of one layer is opposite to that of the other layer, where the in-plane positive Poisson's ratio plays a key role. As a result, the doubly degenerate highest valence bands split, followed by a recovery of anisotropy. More interestingly, such an anisotropy, namely, the ratio of the effective mass along the Γ \\text- X direction to that along the Γ \\text- Y direction, reaches as high as 6 under a small strain of 1%, and keeps nearly unchanged up to a strain of 3%. In addition, high anisotropy only holds for hole carriers as the conduction band is insensitive to strain. These findings should shed new light on the design of semiconducting devices, where the hole acts as the transport carrier.

  14. Electric field-triggered metal-insulator transition resistive switching of bilayered multiphasic VOx

    Science.gov (United States)

    Won, Seokjae; Lee, Sang Yeon; Hwang, Jungyeon; Park, Jucheol; Seo, Hyungtak

    2018-01-01

    Electric field-triggered Mott transition of VO2 for next-generation memory devices with sharp and fast resistance-switching response is considered to be ideal but the formation of single-phase VO2 by common deposition techniques is very challenging. Here, VOx films with a VO2-dominant phase for a Mott transition-based metal-insulator transition (MIT) switching device were successfully fabricated by the combined process of RF magnetron sputtering of V metal and subsequent O2 annealing to form. By performing various material characterizations, including scanning transmission electron microscopy-electron energy loss spectroscopy, the film is determined to have a bilayer structure consisting of a VO2-rich bottom layer acting as the Mott transition switching layer and a V2O5/V2O3 mixed top layer acting as a control layer that suppresses any stray leakage current and improves cyclic performance. This bilayer structure enables excellent electric field-triggered Mott transition-based resistive switching of Pt-VOx-Pt metal-insulator-metal devices with a set/reset current ratio reaching 200, set/reset voltage of less than 2.5 V, and very stable DC cyclic switching upto 120 cycles with a great set/reset current and voltage distribution less than 5% of standard deviation at room temperature, which are specifications applicable for neuromorphic or memory device applications. [Figure not available: see fulltext.

  15. Neutron reflectivity studies of single lipid bilayers supported on planar substrates

    Energy Technology Data Exchange (ETDEWEB)

    Krueger, S.; Orts, W.J.; Berk, N.F.; Majkrzak, C.F. [National Inst. of Standards and Technology, Gaithersburg, MD (United States); Koenig, B.W. [National Inst. of Health, Bethesda, MD (United States)

    1994-12-31

    Neutron reflectivity was used to probe the structure of single phosphatidylcholine (PC) lipid bilayers adsorbed onto a planar silicon surface in an aqueous environment. Fluctuations in the neutron scattering length density profiles perpendicular to the silicon/water interface were determined for different lipids as a function of the hydrocarbon chain length. The lipids were studied in both the gel and liquid crystalline phases by monitoring changes in the specularly-reflected neutron intensity as a function of temperature. Contrast variation of the neutron scattering length density was applied to both the lipid and the solvent. Scattering length density profiles were determined using both model-independent and model-dependent fitting methods. During the reflectivity measurements, a novel experimental set-up was implemented to decrease the incoherent background scattering due to the solvent. Thus, the reflectivity was measured to Q {approx} 0.3{Angstrom}{sup -1}, covering up to seven orders of magnitude in reflected intensity, for PC bilayers in D{sub 2}O and silicon-matched (38% D{sub 2}O/62% H{sub 2}O) water. The kinetics of lipid adsorption at the silicon/water interface were also explored by observing changes in the reflectivity at low Q values under silicon-matched water conditions.

  16. Neutron reflectivity studies of single lipid bilayers supported on planar substrates

    International Nuclear Information System (INIS)

    Krueger, S.; Orts, W.J.; Berk, N.F.; Majkrzak, C.F.; Koenig, B.W.

    1994-01-01

    Neutron reflectivity was used to probe the structure of single phosphatidylcholine (PC) lipid bilayers adsorbed onto a planar silicon surface in an aqueous environment. Fluctuations in the neutron scattering length density profiles perpendicular to the silicon/water interface were determined for different lipids as a function of the hydrocarbon chain length. The lipids were studied in both the gel and liquid crystalline phases by monitoring changes in the specularly-reflected neutron intensity as a function of temperature. Contrast variation of the neutron scattering length density was applied to both the lipid and the solvent. Scattering length density profiles were determined using both model-independent and model-dependent fitting methods. During the reflectivity measurements, a novel experimental set-up was implemented to decrease the incoherent background scattering due to the solvent. Thus, the reflectivity was measured to Q ∼ 0.3 Angstrom -1 , covering up to seven orders of magnitude in reflected intensity, for PC bilayers in D 2 O and silicon-matched (38% D 2 O/62% H 2 O) water. The kinetics of lipid adsorption at the silicon/water interface were also explored by observing changes in the reflectivity at low Q values under silicon-matched water conditions

  17. Modeling and simulation of thermally actuated bilayer plates

    Science.gov (United States)

    Bartels, Sören; Bonito, Andrea; Muliana, Anastasia H.; Nochetto, Ricardo H.

    2018-02-01

    We present a mathematical model of polymer bilayers that undergo large bending deformations when actuated by non-mechanical stimuli such as thermal effects. The simple model captures a large class of nonlinear bending effects and can be discretized with standard plate elements. We devise a fully practical iterative scheme and apply it to the simulation of folding of several practically useful compliant structures comprising of thin elastic layers.

  18. Capital Structure Determinants of Small and Medium Enterprises in Croatia

    Directory of Open Access Journals (Sweden)

    Nataša Šarlija

    2016-09-01

    Full Text Available Most of the research about capital structure is focused towards two theories: trade off theory (TOT and pecking order theory (POT. The idea is to explore which theory works better in certain conditions and identify the key determinants that affect the capital structure of the company. However, in different countries different determinants with opposite relation to the leverage are found to be significant. Besides, most of the previous researches are oriented on listed companies. The aim of this paper is to analyse the capital structure of small and medium enterprises in Croatia through the analysis of the fundamental determinants of the capital structure. The research was conducted on a data sample of 500 SMEs in Croatia in the period of 2005–2011. On the unbalanced panel data set a linear regression is applied. Influence of determinants on leverage is estimated by a static panel model with random effect and with fixed effect estimation. Four capital structure determinants are analysed: growth, size, profitability and tangible assets. The results of this research support the pecking order theory confirming that SMEs in Croatia are primarily financed frominternally generated funds that affect profitability, growth, tangible assets and enterprise size.

  19. Performance Enhancement of Small Molecular Solar Cells by Bilayer Cathode Buffer.

    Science.gov (United States)

    Sun, Qinjun; Zhao, Huanbin; Zhou, Miao; Gao, Liyan; Hao, Yuying

    2016-04-01

    An effective composite bilayer cathode buffer structure is proposed for use in small molecular solar cells. CsF was doped in Alq3 to form the first cathode buffer, leading to small serial resistances. BCP was used as the second cathode buffer to block the holes to the electrode. The optimized bilayer cathode buffer significantly increased the short circuit and fill factor of devices. By integrating this bilayer cathode buffer, the CuPc/C60 small molecular heterojunction cell exhibited a power conversion efficiency of up to 0.8%, which was an improvement of 56% compared to a device with only the Alq3 cathode buffer. Meanwhile, the bilayer cathode buffer still has a good protective effect on the performance of the device.

  20. Surface functionalization of a polymeric lipid bilayer for coupling a model biological membrane with molecules, cells, and microstructures.

    Science.gov (United States)

    Morigaki, Kenichi; Mizutani, Kazuyuki; Saito, Makoto; Okazaki, Takashi; Nakajima, Yoshihiro; Tatsu, Yoshiro; Imaishi, Hiromasa

    2013-02-26

    We describe a stable and functional model biological membrane based on a polymerized lipid bilayer with a chemically modified surface. A polymerized lipid bilayer was formed from a mixture of two diacetylene-containing phospholipids, 1,2-bis(10,12-tricosadiynoyl)-sn-glycero-3-phosphocholine (DiynePC) and 1,2-bis(10,12-tricosadiynoyl)-sn-glycero-3-phosphoethanolamine (DiynePE). DiynePC formed a stable bilayer structure, whereas the ethanolamine headgroup of DiynePE enabled functional molecules to be grafted onto the membrane surface. Copolymerization of DiynePC and DiynePE resulted in a robust bilayer. Functionalization of the polymeric bilayer provided a route to a robust and biomimetic surface that can be linked with biomolecules, cells, and three-dimensional (3D) microstructures. Biotin and peptides were grafted onto the polymeric bilayer for attaching streptavidin and cultured mammalian cells by molecular recognition, respectively. Nonspecific adsorption of proteins and cells on polymeric bilayers was minimum. DiynePE was also used to attach a microstructure made of an elastomer (polydimethylsiloxan: PDMS) onto the membrane, forming a confined aqueous solution between the two surfaces. The microcompartment enabled us to assay the activity of a membrane-bound enzyme (cyochrome P450). Natural (fluid) lipid bilayers were incorporated together with membrane-bound proteins by lithographically polymerizing DiynePC/DiynePE bilayers. The hybrid membrane of functionalized polymeric bilayers and fluid bilayers offers a novel platform for a wide range of biomedical applications including biosensor, bioassay, cell culture, and cell-based assay.

  1. Data including GROMACS input files for atomistic molecular dynamics simulations of mixed, asymmetric bilayers including molecular topologies, equilibrated structures, and force field for lipids compatible with OPLS-AA parameters

    DEFF Research Database (Denmark)

    Róg, Tomasz; Orłowski, Adam; Llorente, Alicia

    2016-01-01

    -oleoyl-sn-glycero-3-phosphatidylserine (SOPS), N-palmitoyl-. D-erythro-sphingosyl-phosphatidylcholine (SM16), and N-lignoceroyl-. D-erythro-sphingosyl-phosphatidylcholine (SM24). The bilayers[U+05F3] compositions are based on lipidomic studies of PC-3 prostate cancer cells and exosomes discussed...

  2. Membrane-lipid therapy: A historical perspective of membrane-targeted therapies - From lipid bilayer structure to the pathophysiological regulation of cells.

    Science.gov (United States)

    Escribá, Pablo V

    2017-09-01

    Our current understanding of membrane lipid composition, structure and functions has led to the investigation of their role in cell signaling, both in healthy and pathological cells. As a consequence, therapies based on the regulation of membrane lipid composition and structure have been recently developed. This novel field, known as Membrane Lipid Therapy, is growing and evolving rapidly, providing treatments that are now in use or that are being studied for their application to oncological disorders, Alzheimer's disease, spinal cord injury, stroke, diabetes, obesity, and neuropathic pain. This field has arisen from relevant discoveries on the behavior of membranes in recent decades, and it paves the way to adopt new approaches in modern pharmacology and nutrition. This innovative area will promote further investigation into membranes and the development of new therapies with molecules that target the cell membrane. Due to the prominent roles of membranes in the cells' physiology and the paucity of therapeutic approaches based on the regulation of the lipids they contain, it is expected that membrane lipid therapy will provide new treatments for numerous pathologies. The first on-purpose rationally designed molecule in this field, minerval, is currently being tested in clinical trials and it is expected to enter the market around 2020. However, it seems feasible that during the next few decades other membrane regulators will also be marketed for the treatment of human pathologies. This article is part of a Special Issue entitled: Membrane Lipid Therapy: Drugs Targeting Biomembranes edited by Pablo V. Escribá. Copyright © 2017. Published by Elsevier B.V.

  3. In cellulo structure determination of a novel cypovirus polyhedrin

    International Nuclear Information System (INIS)

    Axford, Danny; Ji, Xiaoyun; Stuart, David I.; Sutton, Geoff

    2014-01-01

    The crystal structure of a previously unsolved type of cypovirus polyhedrin has been determined from data collected directly from frozen live insect cells. This work demonstrates that with the use of a microfocus synchrotron beam the structure of a novel viral polyhedrin could be successfully determined from microcrystals within cells, removing the preparatory step of sample isolation and maintaining a favourable biological environment. The data obtained are of high quality, comparable to that obtained from isolated crystals, and enabled a facile structure determination. A small but significant difference is observed between the unit-cell parameters and the mosaic spread of in cellulo and isolated crystals, suggesting that even these robust crystals are adversely affected by removal from the cell

  4. Birthday Cake Activity Structured Arrangement for Helping Children Determining Quantities

    Directory of Open Access Journals (Sweden)

    Neni Mariana

    2010-07-01

    Full Text Available Few researches have been concerned about relation between children’s spatial thinking and number sense. Narrowing for this small research, we focused on one component of spatial thinking, that is structuring objects, and one component of number senses, that is cardinality by determining quantities. This study focused on a design research that was conducted in Indonesia in which we investigated pre-school children’s (between 2 and 3.5 years old ability in making structured arrangement and their ability to determine the quantities by looking at the arrangements. The result shows us that some of the children were able to make such arrangement. However, the children found difficulties either to determine quantities from those arrangements or to compare some structures to easily recognize number of objects.

  5. Mechanical properties of electrospun bilayer fibrous membranes as potential scaffolds for tissue engineering.

    Science.gov (United States)

    Pu, Juan; Komvopoulos, Kyriakos

    2014-06-01

    Bilayer fibrous membranes of poly(l-lactic acid) (PLLA) were fabricated by electrospinning, using a parallel-disk mandrel configuration that resulted in the sequential deposition of a layer with fibers aligned across the two parallel disks and a layer with randomly oriented fibers, both layers deposited in a single process step. Membrane structure and fiber alignment were characterized by scanning electron microscopy and two-dimensional fast Fourier transform. Because of the intricacies of the generated electric field, bilayer membranes exhibited higher porosity than single-layer membranes consisting of randomly oriented fibers fabricated with a solid-drum collector. However, despite their higher porosity, bilayer membranes demonstrated generally higher elastic modulus, yield strength and toughness than single-layer membranes with random fibers. Bilayer membrane deformation at relatively high strain rates comprised multiple abrupt microfracture events characterized by discontinuous fiber breakage. Bilayer membrane elongation yielded excessive necking of the layer with random fibers and remarkable fiber stretching (on the order of 400%) in the layer with fibers aligned in the stress direction. In addition, fibers in both layers exhibited multiple localized necking, attributed to the nonuniform distribution of crystalline phases in the fibrillar structure. The high membrane porosity, good mechanical properties, and good biocompatibility and biodegradability of PLLA (demonstrated in previous studies) make the present bilayer membranes good scaffold candidates for a wide range of tissue engineering applications. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  6. Nucleic acid helix structure determination from NMR proton chemical shifts

    Energy Technology Data Exchange (ETDEWEB)

    Werf, Ramon M. van der; Tessari, Marco; Wijmenga, Sybren S., E-mail: S.Wijmenga@science.ru.nl [Radboud University Nijmegen, Department of Biophysical Chemistry, Institute of Molecules and Materials (Netherlands)

    2013-06-15

    We present a method for de novo derivation of the three-dimensional helix structure of nucleic acids using non-exchangeable proton chemical shifts as sole source of experimental restraints. The method is called chemical shift de novo structure derivation protocol employing singular value decomposition (CHEOPS) and uses iterative singular value decomposition to optimize the structure in helix parameter space. The correct performance of CHEOPS and its range of application are established via an extensive set of structure derivations using either simulated or experimental chemical shifts as input. The simulated input data are used to assess in a defined manner the effect of errors or limitations in the input data on the derived structures. We find that the RNA helix parameters can be determined with high accuracy. We finally demonstrate via three deposited RNA structures that experimental proton chemical shifts suffice to derive RNA helix structures with high precision and accuracy. CHEOPS provides, subject to further development, new directions for high-resolution NMR structure determination of nucleic acids.

  7. Enhanced sensitivity of a microfabricated resonator using a graphene-polystyrene bilayer membrane

    Energy Technology Data Exchange (ETDEWEB)

    Yun, Minhyuk; Lee, Eunho; Cho, Kilwon; Jeon, Sangmin, E-mail: jeons@postech.ac.kr [Department of Chemical Engineering, Pohang University of Science and Technology (POSTECH), Pohang (Korea, Republic of)

    2014-08-18

    A graphene layer was synthesized using chemical vapor deposition methods and a polystyrene solution was spin-cast onto the graphene film. The graphene-polystyrene bilayer membrane was attached between the two tines of a microfabricated quartz tuning fork (QTF). The modulus of the graphene-polystyrene bilayer was measured to be twice that of a pristine polystyrene membrane. Exposure of the membrane-coated QTF to ethanol vapor decreased the resonance frequency of the microresonator. The bilayer membrane-coated QTF produced a frequency change that was three times the change obtained using a polystyrene membrane-coated QTF, with a lower degree of degradation in the Q factor. The limit of detection of the bilayer membrane-coated QTF to ethanol vapor was determined to be 20 ppm.

  8. Determinants of Capital Structure in Non-Financial Companies

    OpenAIRE

    Kühnhausen, Fabian; Stieber, Harald W.

    2014-01-01

    In this paper, we evaluate firm-, industry- and country-specific factors determining a firm's capital structure. The empirical validity of several capital structure theories has been ambiguous so far. We shed light on the main drivers of leverage and depict differences in industry and country characteristics. Using a short panel data set with a large cross-section, we are able to show that firm size, industry leverage, industry growth and tax shield positively affect leverage ratios, while pr...

  9. A study on determinants of capital structure in India

    Directory of Open Access Journals (Sweden)

    Anshu Handoo

    2014-09-01

    Full Text Available The paper identifies the most important determinants of capital structure of 870 listed Indian firms comprising both private sector companies and government companies for the period 2001–2010. Ten independent variables and three dependent variables have been tested using regression analysis. It has been concluded that factors such as profitability, growth, asset tangibility, size, cost of debt, tax rate, and debt serving capacity have significant impact on the leverage structure chosen by firms in the Indian context.

  10. Sulfated oligosaccharide structures, as determined by NMR techniques

    International Nuclear Information System (INIS)

    Noseda, M.D.; Duarte, M.E.R.; Tischer, C.A.; Gorin, P.A.J.; Cerezo, A.S.

    1997-01-01

    Carrageenans are sulfated polysaccharides, produced by red seaweeds (Rhodophyta), that have important biological and physico-chemical properties. Using partial autohydrolysis, we obtained sulfated oligosaccharides from a λ-carrageenan (Noseda and Cerezo, 1993). These oligosaccharides are valuable not only for the study of the structures of the parent carrageenans but also for their possible biological activities. In this work we determined the chemical structure of one of the sulfated oligosaccharides using 1D and 2D NMR techniques. (author)

  11. Determinants of Market Structure and the Airline Industry

    Science.gov (United States)

    Raduchel, W.

    1972-01-01

    The general economic determinants of market structure are outlined with special reference to the airline industry. Included are the following facets: absolute size of firms; distributions of firms by size; concentration; entry barriers; product and service differentiation; diversification; degrees of competition; vertical integration; market boundaries; and economies of scale. Also examined are the static and dynamic properties of market structure in terms of mergers, government policies, and economic growth conditions.

  12. Generative probabilistic models extend the scope of inferential structure determination

    DEFF Research Database (Denmark)

    Olsson, Simon; Boomsma, Wouter; Frellsen, Jes

    2011-01-01

    demonstrate that the use of generative probabilistic models instead of physical forcefields in the Bayesian formalism is not only conceptually attractive, but also improves precision and efficiency. Our results open new vistas for the use of sophisticated probabilistic models of biomolecular structure......Conventional methods for protein structure determination from NMR data rely on the ad hoc combination of physical forcefields and experimental data, along with heuristic determination of free parameters such as weight of experimental data relative to a physical forcefield. Recently, a theoretically...

  13. Rotational characterization of methyl methacrylate: Internal dynamics and structure determination

    Science.gov (United States)

    Herbers, Sven; Wachsmuth, Dennis; Obenchain, Daniel A.; Grabow, Jens-Uwe

    2018-01-01

    Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the two most stable conformers of methyl methacrylate were retrieved from the microwave spectrum. Splittings of rotational energy levels were caused by two non equivalent methyl tops. Constraining the centrifugal distortion coefficients and internal rotation parameters to the values of the main isotopologues, the rotational constants of all single substituted 13C and 18O isotopologues were determined. From these rotational constants the substitution structures and semi-empirical zero point structures of both conformers were precisely determined.

  14. Organizational Structure as a Determinant of Job Burnout.

    Science.gov (United States)

    Bilal, Atif; Ahmed, Hafiz Mushtaq

    2017-03-01

    This exploratory study determined the impact of organizational structure, particularly participation in decision making, instrumental communication, formalization, integration, and promotional opportunity, on burnout among Pakistani pediatric nurses. Data were collected from pediatric nurses working for Punjab's largest state-run hospital. The findings revealed that participation in decision making, instrumental communication, and promotional opportunity prevented burnout. Formalization contributed to burnout but integration was not related to burnout. Quite interestingly, except for supervisory status, most control variables for this study were not significantly related to emotional burnout. Hence, the hypothesis that organizational structure is a determinant of job burnout was accepted.

  15. Electron paramagnetic resonance (EPR spectral components of spin-labeled lipids in saturated phospholipid bilayers: effect of cholesterol

    Directory of Open Access Journals (Sweden)

    Heverton Silva Camargos

    2013-01-01

    Full Text Available Electron paramagnetic resonance (EPR spectroscopy was used to study the main structural accommodations of spin labels in bilayers of saturated phosphatidylcholines with acyl chain lengths ranging from 16 to 22 carbon atoms. EPR spectra allowed the identification of two distinct spectral components in thermodynamic equilibrium at temperatures below and above the main phase transition. An accurate analysis of EPR spectra, using two fitting programs, enabled determination of the thermodynamic profile for these major probe accommodations. Focusing the analysis on two-component EPR spectra of a spin-labeled lipid, the influence of 40 mol % cholesterol in DPPC was studied.

  16. A fast, high-endurance and scalable non-volatile memory device made from asymmetric Ta2O5-x/TaO2-x bilayer structures

    Science.gov (United States)

    Lee, Myoung-Jae; Lee, Chang Bum; Lee, Dongsoo; Lee, Seung Ryul; Chang, Man; Hur, Ji Hyun; Kim, Young-Bae; Kim, Chang-Jung; Seo, David H.; Seo, Sunae; Chung, U.-In; Yoo, In-Kyeong; Kim, Kinam

    2011-08-01

    Numerous candidates attempting to replace Si-based flash memory have failed for a variety of reasons over the years. Oxide-based resistance memory and the related memristor have succeeded in surpassing the specifications for a number of device requirements. However, a material or device structure that satisfies high-density, switching-speed, endurance, retention and most importantly power-consumption criteria has yet to be announced. In this work we demonstrate a TaOx-based asymmetric passive switching device with which we were able to localize resistance switching and satisfy all aforementioned requirements. In particular, the reduction of switching current drastically reduces power consumption and results in extreme cycling endurances of over 1012. Along with the 10 ns switching times, this allows for possible applications to the working-memory space as well. Furthermore, by combining two such devices each with an intrinsic Schottky barrier we eliminate any need for a discrete transistor or diode in solving issues of stray leakage current paths in high-density crossbar arrays.

  17. High-throughput determination of RNA structure by proximity ligation.

    Science.gov (United States)

    Ramani, Vijay; Qiu, Ruolan; Shendure, Jay

    2015-09-01

    We present an unbiased method to globally resolve RNA structures through pairwise contact measurements between interacting regions. RNA proximity ligation (RPL) uses proximity ligation of native RNA followed by deep sequencing to yield chimeric reads with ligation junctions in the vicinity of structurally proximate bases. We apply RPL in both baker's yeast (Saccharomyces cerevisiae) and human cells and generate contact probability maps for ribosomal and other abundant RNAs, including yeast snoRNAs, the RNA subunit of the signal recognition particle and the yeast U2 spliceosomal RNA homolog. RPL measurements correlate with established secondary structures for these RNA molecules, including stem-loop structures and long-range pseudoknots. We anticipate that RPL will complement the current repertoire of computational and experimental approaches in enabling the high-throughput determination of secondary and tertiary RNA structures.

  18. Mobility gap and quantum transport in a functionalized graphene bilayer

    Science.gov (United States)

    Missaoui, Ahmed; Jemaa Khabthani, Jouda; Jaidane, Nejm-Eddine; Mayou, Didier; Trambly de Laissardière, Guy

    2018-05-01

    In a Bernal graphene bilayer, carbon atoms belong to two inequivalent sublattices A and B, with atoms that are coupled to the other layer by bonds belonging to sublattice A and the other atoms belonging to sublattice B. We analyze the density of states and the conductivity of Bernal graphene bilayers when atoms of sublattice A or B only are randomly functionalized. We find that for a selective functionalization on sublattice B only, a mobility gap of the order of 0.5 eV is formed close to the Dirac energy at concentration of adatoms . In addition, at some other energies conductivity presents anomalous behaviors. We show that these properties are related to the bipartite structure of the graphene layer.

  19. Physisorbed Polymer-Tethered Lipid Bilayer with Lipopolymer Gradient

    Directory of Open Access Journals (Sweden)

    Christoph A. Naumann

    2012-11-01

    Full Text Available Physisorbed polymer-tethered lipid bilayers consisting of phospholipids and lipopolymers represent an attractive planar model membrane platform, in which bilayer fluidity and membrane elastic properties can be regulated through lipopolymer molar concentration. Herein we report a method for the fabrication of such a planar model membrane system with a lateral gradient of lipopolymer density. In addition, a procedure is described, which leads to a sharp boundary between regions of low and high lipopolymer molar concentrations. Resulting gradients and sharp boundaries are visualized on the basis of membrane buckling structures at elevated lipopolymer concentrations using epifluorescence microscopy and atomic force microscopy. Furthermore, results from spot photobleaching experiments are presented, which provide insight into the lipid lateral fluidity in these model membrane architectures. The presented experimental data highlight a planar, solid-supported membrane characterized by fascinating length scale-dependent dynamics and elastic properties with remarkable parallels to those observed in cellular membranes.

  20. Direct electron crystallographic determination of zeolite zonal structures

    International Nuclear Information System (INIS)

    Dorset, Douglas L.; Gilmore, Christopher J.; Jorda, Jose Luis; Nicolopoulos, Stavros

    2007-01-01

    The prospect for improving the success of ab initio zeolite structure investigations with electron diffraction data is evaluated. First of all, the quality of intensities obtained by precession electron diffraction at small hollow cone illumination angles is evaluated for seven representative materials: ITQ-1, ITQ-7, ITQ-29, ZSM-5, ZSM-10, mordenite, and MCM-68. It is clear that, for most examples, an appreciable fraction of a secondary scattering perturbation is removed by precession at small angles. In one case, ZSM-10, it can also be argued that precession diffraction produces a dramatically improved 'kinematical' data set. There seems to no real support for application of a Lorentz correction to these data and there is no reason to expect for any of these samples that a two-beam dynamical scattering relationship between structure factor amplitude and observed intensity should be valid. Removal of secondary scattering by the precession mode appears to facilitate ab initio structure analysis. Most zeolite structures investigated could be solved by maximum entropy and likelihood phasing via error-correcting codes when precession data were used. Examples include the projected structure of mordenite that could not be determined from selected area data alone. One anomaly is the case of ZSM-5, where the best structure determination in projection is made from selected area diffraction data. In a control study, the zonal structure of SSZ-48 could be determined from selected area diffraction data by either maximum entropy and likelihood or traditional direct methods. While the maximum entropy and likelihood approach enjoys some advantages over traditional direct methods (non-dependence on predicted phase invariant sums), some effort must be made to improve the figures of merit used to identify potential structure solutions

  1. Document boundary determination using structural and lexical analysis

    Science.gov (United States)

    Taghva, Kazem; Cartright, Marc-Allen

    2009-01-01

    The document boundary determination problem is the process of identifying individual documents in a stack of papers. In this paper, we report on a classification system for automation of this process. The system employs features based on document structure and lexical content. We also report on experimental results to support the effectiveness of this system.

  2. New method to determine structures in thermonuclear plasmas

    International Nuclear Information System (INIS)

    Tanzi, C.P.

    1998-01-01

    The information from tomographic methods is not always sufficient to determine fast changing structures, e.g. very hot plasmas. A new method has been developed by means of which, among other things, physical mechanisms of plasma instability can be disentangled. 4 refs

  3. Dynamic Capital Structure: Dynamics, Determinants and Speed of Adjustment

    NARCIS (Netherlands)

    Tamirat, A.S.; Trujillo Barrera, A.A.; Pennings, J.M.E.

    2017-01-01

    The corporate finance literature has focused on explaining the determinants of firms target capital structure and speed of adjustment using the well-established theories such as pecking order, signaling and trade-off theories. However, less attention has been paid to understanding the financing

  4. Farm Target Capital Structure: Dynamics, Determinants and Speed of Adjustment

    NARCIS (Netherlands)

    Tamirat, A.S.; Trujillo Barrera, A.A.; Pennings, J.M.E.

    2017-01-01

    The corporate finance literature has focused on explaining the determinants of firms target capital structure and speed of adjustment using the well-established theories such as pecking order, signaling and trade-off theories. However, less attention has been paid to understanding the financing

  5. A Laboratory Exercise in the Determination of Carbohydrate Structures.

    Science.gov (United States)

    White, Bernard J.; Robyt, John F.

    1988-01-01

    Describes an experiment in which students are given a naturally occurring oligosaccharide as an unknown and are asked to determine both its monosaccharide composition and its structure. Discusses methods and experimental techniques including thin layer chromatography and the use of enzymes. (CW)

  6. Determining modulus of elasticity of ancient structural timber

    Science.gov (United States)

    Houjiang Zhang; Lei Zhu; Yanliang Sun; Xiping Wang; Haicheng Yan

    2011-01-01

    During maintenance of ancient timber architectures, it is important to determine mechanical properties of the wood component materials non-destructively and effectively, so that degraded members may be replaced or repaired to avoid structural failure. Experimental materials are four larch (Larix principis-rupprechtii Mayr.) components, which were taken down from the...

  7. Birthday Cake Activity Structured Arrangement for Helping Children Determining Quantities

    Science.gov (United States)

    Mariana, Neni

    2010-01-01

    Few researches have been concerned about relation between children's spatial thinking and number sense. Narrowing for this small research, we focused on one component of spatial thinking, that is structuring objects, and one component of number senses, that is cardinality by determining quantities. This study focused on a design research that was…

  8. Macromolecular structure determination in the post-genome era

    International Nuclear Information System (INIS)

    Kuhn, P.; Soltis, S.M.

    2001-01-01

    Recent advances in genetics, molecular biology and crystallographic instrumentation and methodology have led to a revolution in the field of Structural Molecular Biology (SMB). These combined advances have paved the way to a more complete and detailed understanding of the biological macromolecules that make up an organism, both in terms of their individual functions and also the interactions between them. In this paper we describe a large-scale, genomic approach to the three-dimensional structure determination of macromolecules and their complexes, using high-throughput methodology to streamline all aspects of the process. This task requires the development of automated high-intensity synchrotron beam lines for X-ray diffraction data collection from single crystal samples. Furthermore, these beam lines must be operated within a sophisticated software and hardware environment, which is capable of delivering a completely automated structure determination pipeline. The SMB resource at SSRL is developing a system for the structure determination steps of this process, starting with the initial characterization of the frozen sample, followed by data collection, data reduction, phase determination, and model building. This paper focuses on the data collection elements of this high-throughput system

  9. From bacterial to human dihydrouridine synthase: automated structure determination

    Energy Technology Data Exchange (ETDEWEB)

    Whelan, Fiona, E-mail: fiona.whelan@york.ac.uk; Jenkins, Huw T., E-mail: fiona.whelan@york.ac.uk [The University of York, Heslington, York YO10 5DD (United Kingdom); Griffiths, Samuel C. [University of Oxford, Headington, Oxford OX3 7BN (United Kingdom); Byrne, Robert T. [Ludwig-Maximilians-University Munich, Feodor-Lynen-Strasse 25, 81377 Munich (Germany); Dodson, Eleanor J.; Antson, Alfred A., E-mail: fiona.whelan@york.ac.uk [The University of York, Heslington, York YO10 5DD (United Kingdom)

    2015-06-30

    The crystal structure of a human dihydrouridine synthase, an enzyme associated with lung cancer, with 18% sequence identity to a T. maritima enzyme, has been determined at 1.9 Å resolution by molecular replacement after extensive molecular remodelling of the template. The reduction of uridine to dihydrouridine at specific positions in tRNA is catalysed by dihydrouridine synthase (Dus) enzymes. Increased expression of human dihydrouridine synthase 2 (hDus2) has been linked to pulmonary carcinogenesis, while its knockdown decreased cancer cell line viability, suggesting that it may serve as a valuable target for therapeutic intervention. Here, the X-ray crystal structure of a construct of hDus2 encompassing the catalytic and tRNA-recognition domains (residues 1–340) determined at 1.9 Å resolution is presented. It is shown that the structure can be determined automatically by phenix.mr-rosetta starting from a bacterial Dus enzyme with only 18% sequence identity and a significantly divergent structure. The overall fold of the human Dus2 is similar to that of bacterial enzymes, but has a larger recognition domain and a unique three-stranded antiparallel β-sheet insertion into the catalytic domain that packs next to the recognition domain, contributing to domain–domain interactions. The structure may inform the development of novel therapeutic approaches in the fight against lung cancer.

  10. From bacterial to human dihydrouridine synthase: automated structure determination

    International Nuclear Information System (INIS)

    Whelan, Fiona; Jenkins, Huw T.; Griffiths, Samuel C.; Byrne, Robert T.; Dodson, Eleanor J.; Antson, Alfred A.

    2015-01-01

    The crystal structure of a human dihydrouridine synthase, an enzyme associated with lung cancer, with 18% sequence identity to a T. maritima enzyme, has been determined at 1.9 Å resolution by molecular replacement after extensive molecular remodelling of the template. The reduction of uridine to dihydrouridine at specific positions in tRNA is catalysed by dihydrouridine synthase (Dus) enzymes. Increased expression of human dihydrouridine synthase 2 (hDus2) has been linked to pulmonary carcinogenesis, while its knockdown decreased cancer cell line viability, suggesting that it may serve as a valuable target for therapeutic intervention. Here, the X-ray crystal structure of a construct of hDus2 encompassing the catalytic and tRNA-recognition domains (residues 1–340) determined at 1.9 Å resolution is presented. It is shown that the structure can be determined automatically by phenix.mr-rosetta starting from a bacterial Dus enzyme with only 18% sequence identity and a significantly divergent structure. The overall fold of the human Dus2 is similar to that of bacterial enzymes, but has a larger recognition domain and a unique three-stranded antiparallel β-sheet insertion into the catalytic domain that packs next to the recognition domain, contributing to domain–domain interactions. The structure may inform the development of novel therapeutic approaches in the fight against lung cancer

  11. Using photoelectron diffraction to determine complex molecular adsorption structures

    International Nuclear Information System (INIS)

    Woodruff, D P

    2010-01-01

    Backscattering photoelectron diffraction, particularly in the energy-scan mode, is now an established technique for determining in a quantitative fashion the local structure of adsorbates on surfaces, and has been used successfully for ∼100 adsorbate phases. The elemental and chemical-state specificity afforded by the characteristic core level photoelectron binding energies means that it has particular advantages for molecular adsorbates, as the local geometry of inequivalent atoms in the molecule can be determined in a largely independent fashion. On the other hand, polyatomic molecules present a general problem for all methods of surface structure determination in that a mismatch of intramolecular distances with interatomic distances on the substrate surface means that the atoms in the adsorbed molecule are generally in low-symmetry sites. The quantities measured experimentally then represent an incoherent sum of the properties of each structural domain that is inequivalent with respect to the substrate point group symmetry. This typically leads to greater ambiguity or precision in the structural solutions. The basic principles of the method are described and illustrated with a simple example involving molecule/substrate bonding through only one constituent atom (TiO 2 -(110)/H 2 O). This example demonstrates the importance of obtaining quantitative local structural information. Further examples illustrate both the successes and the problems of this approach when applied to somewhat more complex molecular adsorbates.

  12. Texture of lipid bilayer domains

    DEFF Research Database (Denmark)

    Jensen, Uffe Bernchou; Brewer, Jonathan R.; Midtiby, Henrik Skov

    2009-01-01

    We investigate the texture of gel (g) domains in binary lipid membranes composed of the phospholipids DPPC and DOPC. Lateral organization of lipid bilayer membranes is a topic of fundamental and biological importance. Whereas questions related to size and composition of fluid membrane domain...... are well studied, the possibility of texture in gel domains has so far not been examined. When using polarized light for two-photon excitation of the fluorescent lipid probe Laurdan, the emission intensity is highly sensitive to the angle between the polarization and the tilt orientation of lipid acyl...... chains. By imaging the intensity variations as a function of the polarization angle, we map the lateral variations of the lipid tilt within domains. Results reveal that gel domains are composed of subdomains with different lipid tilt directions. We have applied a Fourier decomposition method...

  13. Macromolecular structure determination in the post-genome era

    CERN Document Server

    Kuhn, P

    2001-01-01

    Recent advances in genetics, molecular biology and crystallographic instrumentation and methodology have led to a revolution in the field of Structural Molecular Biology (SMB). These combined advances have paved the way to a more complete and detailed understanding of the biological macromolecules that make up an organism, both in terms of their individual functions and also the interactions between them. In this paper we describe a large-scale, genomic approach to the three-dimensional structure determination of macromolecules and their complexes, using high-throughput methodology to streamline all aspects of the process. This task requires the development of automated high-intensity synchrotron beam lines for X-ray diffraction data collection from single crystal samples. Furthermore, these beam lines must be operated within a sophisticated software and hardware environment, which is capable of delivering a completely automated structure determination pipeline. The SMB resource at SSRL is developing a system...

  14. Sum frequency generation (SFG) vibrational spectroscopy of planar phosphatidylethanolamine hybrid bilayer membranes under water.

    Science.gov (United States)

    Kett, Peter J N; Casford, Michael T L; Davies, Paul B

    2010-06-15

    Sum frequency generation (SFG) spectroscopy has been used to study the structure of phosphatidylethanolamine hybrid bilayer membranes (HBMs) under water at ambient temperatures. The HBMs were formed using a modified Langmuir-Schaefer technique and consisted of a layer of dipalmitoyl phosphatidylethanolamine (DPPE) physisorbed onto an octadecanethiol (ODT) self-assembled monolayer (SAM) at a series of surface pressures from 1 to 40 mN m(-1). The DPPE and ODT were selectively deuterated so that the contributions to the SFG spectra from the two layers could be determined separately. SFG spectra in both the C-H and C-D stretching regions confirmed that a monolayer of DPPE had been adsorbed to the ODT SAM and that there were gauche defects within the alkyl chains of the phospholipid. On adsorption of a layer of DPPE, methylene modes from the ODT SAM were detected, indicating that the phospholipid had partially disordered the alkanethiol monolayer. SFG spectra recorded in air indicated that removal of water from the surface of the HBM resulted in disruption of the DPPE layer and the formation of phospholipid bilayers.

  15. Direct measurement of discrete valley and orbital quantum numbers in bilayer graphene.

    Science.gov (United States)

    Hunt, B M; Li, J I A; Zibrov, A A; Wang, L; Taniguchi, T; Watanabe, K; Hone, J; Dean, C R; Zaletel, M; Ashoori, R C; Young, A F

    2017-10-16

    The high magnetic field electronic structure of bilayer graphene is enhanced by the spin, valley isospin, and an accidental orbital degeneracy, leading to a complex phase diagram of broken symmetry states. Here, we present a technique for measuring the layer-resolved charge density, from which we directly determine the valley and orbital polarization within the zero energy Landau level. Layer polarization evolves in discrete steps across 32 electric field-tuned phase transitions between states of different valley, spin, and orbital order, including previously unobserved orbitally polarized states stabilized by skew interlayer hopping. We fit our data to a model that captures both single-particle and interaction-induced anisotropies, providing a complete picture of this correlated electron system. The resulting roadmap to symmetry breaking paves the way for deterministic engineering of fractional quantum Hall states, while our layer-resolved technique is readily extendable to other two-dimensional materials where layer polarization maps to the valley or spin quantum numbers.The phase diagram of bilayer graphene at high magnetic fields has been an outstanding question, with orders possibly between multiple internal quantum degrees of freedom. Here, Hunt et al. report the measurement of the valley and orbital order, allowing them to directly reconstruct the phase diagram.

  16. Direct experimental determination of the atomic structure at internal interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Browning, N.D. [Oak Ridge National Lab., TN (United States)]|[Illinois Univ., Chicago, IL (United States); Pennycook, S.J. [Oak Ridge National Lab., TN (United States)

    1995-07-01

    A crucial first step in understanding the effect that internal interfaces have on the properties of materials is the ability to determine the atomic structure at the interface. As interfaces can contain atomic disorder, dislocations, segregated impurities and interphases, sensitivity to all of these features is essential for complete experimental characterization. By combining Z-contrast imaging and electron energy loss spectroscopy (EELS) in a dedicated scanning transmission electron microscope (STEM), the ability to probe the structure, bonding and composition at interfaces with the necessary atomic resolution has been obtained. Experimental conditions can be controlled to provide, simultaneously, both incoherent imaging and spectroscopy. This enables interface structures observed in the image to be interpreted intuitively and the bonding in a specified atomic column to be probed directly by EELS. The bonding and structure information can then be correlated using bond-valence sum analysis to produce structural models. This technique is demonstrated for 25{degrees}, 36{degrees} and 67{degrees} symmetric and 45{degrees} and 25{degrees} asymmetric [001] tilt grain boundaries in SrTiO{sub 3} The structures of both types of boundary were found to contain partially occupied columns in the boundary plane. From these experimental results, a series of structural units were identified which could be combined, using continuity of gain boundary structure principles, to construct all [001] tilt boundaries in SrTiO{sub 3}. Using these models, the ability of this technique to address the issues of vacancies and dopant segregation at grain boundaries in electroceramics is discussed.

  17. Global search in photoelectron diffraction structure determination using genetic algorithms

    Energy Technology Data Exchange (ETDEWEB)

    Viana, M L [Departamento de Fisica, Icex, UFMG, Belo Horizonte, Minas Gerais (Brazil); Muino, R Diez [Donostia International Physics Center DIPC, Paseo Manuel de Lardizabal 4, 20018 San Sebastian (Spain); Soares, E A [Departamento de Fisica, Icex, UFMG, Belo Horizonte, Minas Gerais (Brazil); Hove, M A Van [Department of Physics and Materials Science, City University of Hong Kong, Hong Kong (China); Carvalho, V E de [Departamento de Fisica, Icex, UFMG, Belo Horizonte, Minas Gerais (Brazil)

    2007-11-07

    Photoelectron diffraction (PED) is an experimental technique widely used to perform structural determinations of solid surfaces. Similarly to low-energy electron diffraction (LEED), structural determination by PED requires a fitting procedure between the experimental intensities and theoretical results obtained through simulations. Multiple scattering has been shown to be an effective approach for making such simulations. The quality of the fit can be quantified through the so-called R-factor. Therefore, the fitting procedure is, indeed, an R-factor minimization problem. However, the topography of the R-factor as a function of the structural and non-structural surface parameters to be determined is complex, and the task of finding the global minimum becomes tough, particularly for complex structures in which many parameters have to be adjusted. In this work we investigate the applicability of the genetic algorithm (GA) global optimization method to this problem. The GA is based on the evolution of species, and makes use of concepts such as crossover, elitism and mutation to perform the search. We show results of its application in the structural determination of three different systems: the Cu(111) surface through the use of energy-scanned experimental curves; the Ag(110)-c(2 x 2)-Sb system, in which a theory-theory fit was performed; and the Ag(111) surface for which angle-scanned experimental curves were used. We conclude that the GA is a highly efficient method to search for global minima in the optimization of the parameters that best fit the experimental photoelectron diffraction intensities to the theoretical ones.

  18. CAPITAL STRUCTURE DETERMINANTS: EVIDENCE FROM PALESTINE AND EGYPT STOCK EXCHANGES

    Directory of Open Access Journals (Sweden)

    Abdul Razak Abdul Hadi

    2017-04-01

    Full Text Available Abstract -This study is driven by the motivation to examine the capital structure determinants for Palestine Stock Exchange (PEX and Egypt Stock Exchange (EGX. Within the framework of capital structure theories, this study uses Generalized Method of Moments (GMM,1982 as an estimation model employing quarterly panel data analysis during the observed period from 2008 till 2012. The test results from GMM indicate that all the examined determinants have significant relationship with leverage. It has a negative value with liquidity, non-debt tax shield, profitability, size and growth. The Egyptian firms have some uniqueness in its trend. Current assets, debt ratio and liquidity behave positively with leverage except for growth. The other tested determinants in Egyptian companies are found to be not significant.

  19. Interaction of Cecropin B with Zwitterionic and Negatively Charged Lipid Bilayers Immobilized at Gold Electrode Surface

    International Nuclear Information System (INIS)

    Juhaniewicz, Joanna; Szyk-Warszyńska, Lilianna; Warszyński, Piotr; Sęk, Sławomir

    2016-01-01

    Membranolytic properties of cationic antimicrobial peptide cecropin B were investigated using electrochemical techniques, atomic force microscopy and quartz crystal microbalance with dissipation monitoring. Two types of artificial lipid bilayers supported on gold electrode were used as model systems composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) and cholesterol (Chol) at 7:3 molar ratio and L-α-phosphatidylethanolamine (E. coli) (PE), L-α-phosphatidylglycerol sodium salt (E. coli) (PG) at 8:2 molar ratio. Thus the lipid content was intended to represent either mammalian or bacterial membrane respectively. Model bilayers were exposed to cecropin B at 1 μM concentration and the changes in bilayer structure, permeability and morphology were monitored as a function of time. We have found that cecropin B does not show any pronounced effect on POPC/Chol bilayer, while PE/PG system was strongly affected in the presence of the peptide. This observation suggests that cecropin B shows some selectivity with respect to lipid composition of the membrane. In case of PE/PG membrane, we have observed that peptide action involves electrostatically driven adsorption of the cecropin B at the top of the bilayer with simultaneous fluidization and swelling of the membrane. The latter may facilitate the rearrangement and insertion of the molecules into the core of the lipid bilayer, which leads to further rupture and degradation of the film through formation of mixed peptide-lipid aggregates.

  20. Mechanical and electronic properties of monolayer and bilayer phosphorene under uniaxial and isotropic strains.

    Science.gov (United States)

    Hu, Ting; Han, Yang; Dong, Jinming

    2014-11-14

    The mechanical and electronic properties of both the monolayer and bilayer phosphorenes under either isotropic or uniaxial strain have been systematically investigated using first-principles calculations. It is interesting to find that: 1) Under a large enough isotropic tensile strain, the monolayer phosphorene would lose its pucker structure and transform into a flat hexagonal plane, while two inner sublayers of the bilayer phosphorene could be bonded due to its interlayer distance contraction. 2) Under the uniaxial tensile strain along a zigzag direction, the pucker distance of each layer in the bilayer phosphorene can exhibit a specific negative Poisson's ratio. 3) The electronic properties of both the monolayer and bilayer phosphorenes are sensitive to the magnitude and direction of the applied strains. Their band gaps decrease more rapidly under isotropic compressive strain than under uniaxial strain. Also, their direct-indirect band gap transitions happen at the larger isotropic tensile strains compared with that under uniaxial strain. 4) Under the isotropic compressive strain, the bilayer phosphorene exhibits a transition from a direct-gap semiconductor to a metal. In contrast, the monolayer phosphorene initially has the direct-indirect transition and then transitions to a metal. However, under isotropic tensile strain, both the bilayer and monolayer phosphorene show the direct-indirect transition and, finally, the transition to a metal. Our numerical results may open new potential applications of phosphorene in nanoelectronics and nanomechanical devices by external isotropic strain or uniaxial strain along different directions.

  1. Molecular Interaction of a New Antibacterial Polymer with a Supported Lipid Bilayer Measured by an in situ Label-Free Optical Technique

    Directory of Open Access Journals (Sweden)

    Robert Horvath

    2013-05-01

    Full Text Available The interaction of the antibacterial polymer–branched poly(ethylene imine substituted with quaternary ammonium groups, PEO and alkyl chains, PEI25QI5J5A815–with a solid supported lipid bilayer was investigated using surface sensitive optical waveguide spectroscopy. The analysis of the optogeometrical parameters was extended developing a new composite layer model in which the structural and optical anisotropy of the molecular layers was taken into consideration. Following in situ the change of optical birefringence we were able to determine the composition of the lipid/polymer surface layer as well as the displacement of lipid bilayer by the antibacterial polymer without using additional labeling. Comparative assessment of the data of layer thickness and optical anisotropy helps to reveal the molecular mechanism of antibacterial effect of the polymer investigated.

  2. Simulated microgravity impacts the plant plasmalemma lipid bilayer

    Science.gov (United States)

    Nedukha, Olena; Berkovich, Yuliy A.; Vorobyeva, Tamara; Grakhov, Volodimir; Klimenko, Elena; Zhupanov, Ivan; Jadko, Sergiy

    Biological membranes, especially the plasmalemma, and their properties and functions can be considered one of the most sensitive indicators of gravity interaction or alteration of gravity, respectively. Studies on the molecular basis of cellular signal perception and transduction are very important in order to understand signal responses at the cellular and organism level. The plasmalemma lipid bilayer is the boundary between the cell internal and external environment and mediates communication between them. Therefore, we studied the content and composition of lipids, saturated and unsaturated fatty acids, sterols, and microviscosity in the plasmalemma isolated from pea seedling roots and epicotyls grown in the stationary conditions and under slow horizontal clinorotation. In addition, lipid peroxidation intensity of intact roots was also identified. The plasmalemma fraction was isolated by the two-phase aquatic-polymer system optimized for pea using a centrifuge Optima L-90K. Lipid bilayer components were determined by using highly effective liquid chromatography with a system Angilent 1100 (Germany). Spontaneous chemiluminescence intensity was measured with a chemiluminometer ChLMTS-01. The obtained data showed that plasmalemma investigated parameters are sensitive to clinorotation, namely: increasing or decreasing the different lipids content, among which, phospho- and glycolipids were dominated, as well as changes in the content of saturated and unsaturated fatty acids and sterols. A degree of plasmalemma sensitivity to clinorotation was higher for the root plasmalemma than epicocotyl ones. This distinguish may be naturally explained by the differences in the structure, cell types, growth, and specific functions of a root and an epicotyl, those are the most complicated in roots. An index of unsaturation under clinorotation was similar to that in the stationary conditions as a result of the certain balance between changes in the content of saturated and

  3. Functional liposomes and supported lipid bilayers: towards the complexity of biological archetypes.

    Science.gov (United States)

    Berti, Debora; Caminati, Gabriella; Baglioni, Piero

    2011-05-21

    This perspective paper provides some illustrative examples on the interplay between information gathered on planar supported lipid bilayers (SLB) and unilamellar lipid vesicles (ULV) to get an integrated description of phenomena occurring at the nanoscale that involve locally bilayered structures. Similarities and differences are underlined and critically compared in terms of biomimetic fidelity and instrumental accessibility to structural and dynamical parameters, focusing on some recent reports that either explicitly address this comparison or introducing some studies that separately investigate the same process in SLB and lipid vesicles. Despite the structural similarity on the nanoscale, the different topology implies radically different characterization techniques that have evolved in sectorial and separated approaches. The quest for increasing levels of compositional complexity for bilayered systems should not result in a loss of structural and dynamical control: this is the central challenge of future research in this area, where the integrated approach highlighted in this contribution would enable improved levels of understanding. © The Owner Societies 2011

  4. Effect of free cholesterol on incorporation of triolein in phospholipid bilayers

    International Nuclear Information System (INIS)

    Spooner, P.J.R.; Small, D.M.

    1987-01-01

    Triacylglycerols are the major substrates for lipolytic enzymes that act at the surface of emulsion-like particles such as triglyceride-rich lipoproteins, chylomicrons, and intracellular lipid droplets. This study examines the effect of cholesterol on the solubility of a triacylglycerol, triolein, in phospholipid surfaces. Solubilities of [carbonyl- 13 C] triolein in phospholipid bilayer vesicles containing between 0 and 50 mol % free cholesterol, prepared by cosonication, were measured by 13 C NMR. The carbonyl resonances from bilayer-incorporated triglyceride were shifted downfield in the 13 C NMR spectra from those corresponding to excess, nonincorporated material. This enabled solubilities to be determined directly from carbonyl peak intensities at most cholesterol concentration. The bilayer solubility of triolein was inversely proportional to the cholesterol/phospholipid mole ratio. In pure phospholipid vesicles the triolein solubility was 2.2 mol %. The triglyceride incorporation decreased to 1.1 mol % at a cholesterol/phospholipid mole ratio of 0.5, and at a mole ratio of 1.0 for the bilayer lipids, the triolein solubility was reduced to just 0.15 mol %. The effects of free cholesterol were more pronounced and progressive than observed previously on the bilayer solubility of cholestery oleate. As with cholesteryl oleate, they suggest that cholesterol also displaces solubilized triglyceride to deeper regions of the bilayer

  5. X-ray structure determination and deuteration of nattokinase

    International Nuclear Information System (INIS)

    Yanagisawa, Yasuhide; Chatake, Toshiyuki; Naito, Sawa; Ohsugi, Tadanori; Yatagai, Chieko; Sumi, Hiroyuki; Kawaguchi, Akio; Chiba-Kamosida, Kaori; Ogawa, Megumi; Adachi, Tatsumi; Morimoto, Yukio

    2013-01-01

    X-ray structure determination and deuteration of nattokinase were performed to facilitate neutron crystallographic analysis. Nattokinase (NK) is a strong fibrinolytic enzyme, which is produced in abundance by Bacillus subtilis natto. Although NK is a member of the subtilisin family, it displays different substrate specificity when compared with other subtilisins. The results of molecular simulations predict that hydrogen arrangements around Ser221 at the active site probably account for the substrate specificity of NK. Therefore, neutron crystallographic analysis should provide valuable information that reveals the enzymatic mechanism of NK. In this report, the X-ray structure of the non-hydrogen form of undeuterated NK was determined, and the preparation of deuterated NK was successfully achieved. The non-hydrogen NK structure was determined at 1.74 Å resolution. The three-dimensional structures of NK and subtilisin E from Bacillus subtilis DB104 are near identical. Deuteration of NK was carried out by cultivating Bacillus subtilis natto in deuterated medium. The D 2 O resistant strain of Bacillus subtilis natto was obtained by successive cultivation rounds, in which the concentration of D 2 O in the medium was gradually increased. NK was purified from the culture medium and its activity was confirmed by the fibrin plate method. The results lay the framework for neutron protein crystallography analysis

  6. X-ray structure determination and deuteration of nattokinase

    Energy Technology Data Exchange (ETDEWEB)

    Yanagisawa, Yasuhide [Chiba Institute of Science, 15-8 Shiomi-cho, Cho-shi, Chiba 288-025 (Japan); Chatake, Toshiyuki [Kyoto University, Asashironishi 2, Kumatori, Osaka 590-0494 (Japan); Naito, Sawa; Ohsugi, Tadanori; Yatagai, Chieko; Sumi, Hiroyuki [Kurashiki University of Science and the Arts, 2640 Nishinoura, Tsurajima-cho, Kurashiki, Okayama 712-8505 (Japan); Kawaguchi, Akio [Kyoto University, Asashironishi 2, Kumatori, Osaka 590-0494 (Japan); Chiba-Kamosida, Kaori [Nippon Advanced Technology Co. Ltd, J-PARC, 2-4 Shirane Shirakata, Tokai, Ibaraki 319-1195 (Japan); Ogawa, Megumi; Adachi, Tatsumi [Chiba Institute of Science, 15-8 Shiomi-cho, Cho-shi, Chiba 288-025 (Japan); Morimoto, Yukio [Kyoto University, Asashironishi 2, Kumatori, Osaka 590-0494 (Japan)

    2013-11-01

    X-ray structure determination and deuteration of nattokinase were performed to facilitate neutron crystallographic analysis. Nattokinase (NK) is a strong fibrinolytic enzyme, which is produced in abundance by Bacillus subtilis natto. Although NK is a member of the subtilisin family, it displays different substrate specificity when compared with other subtilisins. The results of molecular simulations predict that hydrogen arrangements around Ser221 at the active site probably account for the substrate specificity of NK. Therefore, neutron crystallographic analysis should provide valuable information that reveals the enzymatic mechanism of NK. In this report, the X-ray structure of the non-hydrogen form of undeuterated NK was determined, and the preparation of deuterated NK was successfully achieved. The non-hydrogen NK structure was determined at 1.74 Å resolution. The three-dimensional structures of NK and subtilisin E from Bacillus subtilis DB104 are near identical. Deuteration of NK was carried out by cultivating Bacillus subtilis natto in deuterated medium. The D{sub 2}O resistant strain of Bacillus subtilis natto was obtained by successive cultivation rounds, in which the concentration of D{sub 2}O in the medium was gradually increased. NK was purified from the culture medium and its activity was confirmed by the fibrin plate method. The results lay the framework for neutron protein crystallography analysis.

  7. Overconfidence, Managerial Optimism, and the Determinants of Capital Structure

    Directory of Open Access Journals (Sweden)

    Alexandre di Miceli da Silveira

    2008-12-01

    Full Text Available This research examines the determinants of the capital structure of firms introducing a behavioral perspective that has received little attention in corporate finance literature. The following central hypothesis emerges from a set of recently developed theories: firms managed by optimistic and/or overconfident people will choose more levered financing structures than others, ceteris paribus. We propose different proxies for optimism/overconfidence, based on the manager’s status as an entrepreneur or non-entrepreneur, an idea that is supported by theories and solid empirical evidence, as well as on the pattern of ownership of the firm’s shares by its manager. The study also includes potential determinants of capital structure used in earlier research. We use a sample of Brazilian firms listed in the Sao Paulo Stock Exchange (Bovespa in the years 1998 to 2003. The empirical analysis suggests that the proxies for the referred cognitive biases are important determinants of capital structure. We also found as relevant explanatory variables: profitability, size, dividend payment and tangibility, as well as some indicators that capture the firms’ corporate governance standards. These results suggest that behavioral approaches based on human psychology research can offer relevant contributions to the understanding of corporate decision making.

  8. Bi-layer plate-type acoustic metamaterials with Willis coupling

    Science.gov (United States)

    Ma, Fuyin; Huang, Meng; Xu, Yicai; Wu, Jiu Hui

    2018-01-01

    Dynamic effective negative parameters are principal to the representation of the physical properties of metamaterials. In this paper, a bi-layer plate-type unit was proposed with both a negative mass density and a negative bulk modulus; moreover, through analysis of these bi-layer structures, some important problems about acoustic metamaterials were studied. First, dynamic effective mass densities and the bulk modulus of the bi-layer plate-type acoustic structure were clarified through both the direct and the retrieval methods, and, in addition, the intrinsic relationship between the sound transmission (absorption) characteristics and the effective parameters was analyzed. Furthermore, the properties of dynamic effective parameters for an asymmetric bi-layer acoustic structure were further considered through an analysis of experimental data, and the modified effective parameters were then obtained through consideration of the Willis coupling in the asymmetric passive system. In addition, by taking both the clamped and the periodic boundary conditions into consideration in the bi-layer plate-type acoustic system, new perspectives were presented for study on the effective parameters and sound insulation properties in the range below the cut-off frequency. The special acoustic properties established by these effective parameters could enrich our knowledge and provide guidance for the design and installation of acoustic metamaterial structures in future sound engineering practice.

  9. Conductive polymer/superconductor bilayer structures

    International Nuclear Information System (INIS)

    McDevitt, J.T.; Haupt, S.G.; Riley, D.R.; Zhao, J.; Grassi, J.; Lo, R.K.; Jones, C.

    1994-01-01

    The preparation of a hybrid conducting polymer/high-temperature superconductor device consisting of a polypyrrole-coated YBa 2 Cu 3 O 7-∂ microbridge is reported. Electrochemical techniques are exploited to alter the oxidation state of the polymer and, in doing so, it is found for the first time that superconductivity can be modulated in a controllable and reproducible fashion by a polymer layer. Whereas the neutral (insulating) polypyrrole only slightly influences the electrical properties of the underlying YBa 2 Cu 3 O 7-∂ film, the oxidized (conductive) polymer depresses Tc by up to 50K. In a similar fashion, the oxidation state of the polymer is found to modulate reversibly the magnitude of J c , the superconducting critical current. Thus, a new type of molecular switch for controlling superconductivity is demonstrated. Electrochemical, resistance vs. temperature, conact resistance, atomic force microscopy and scanning electron microscopy measurements are utilized to explore the polymer/superconductor interactions

  10. Computer Simulations of Lipid Bilayers and Proteins

    DEFF Research Database (Denmark)

    Sonne, Jacob

    2006-01-01

    The importance of computer simulations in lipid bilayer research has become more prominent for the last couple of decades and as computers get even faster, simulations will play an increasingly important part of understanding the processes that take place in and across cell membranes. This thesis...... entitled Computer simulations of lipid bilayers and proteins describes two molecular dynamics (MD) simulation studies of pure lipid bilayers as well as a study of a transmembrane protein embedded in a lipid bilayer matrix. Below follows a brief overview of the thesis. Chapter 1. This chapter is a short...... in the succeeding chapters is presented. Details on system setups, simulation parameters and other technicalities can be found in the relevant chapters. Chapter 3, DPPC lipid parameters: The quality of MD simulations is intimately dependent on the empirical potential energy function and its parameters, i...

  11. Interaction of elaiophylin with model bilayer membrane

    Science.gov (United States)

    Genova, J.; Dencheva-Zarkova, M.

    2017-01-01

    Elaiophylin is a new macrodiolide antibiotic, which is produced by the Streptomyces strains [1]. It displays biological activities against Gram-positive bacteria and fungi. The mode of action of this antibiotic has been attributed to an alteration of the membrane permeability. When this antibiotic is inserted into the bilayer membranes destabilization of the membrane and formation of ion-penetrable channels is observed. The macrodiolide antibiotic forms stable cation selective ion channels in synthetic lipid bilayer membranes. The aim of this work was to study the interactions of Elaiophylin with model bilayer membranes and to get information on the mechanical properties of lipid bilayers in presence of this antibiotic. Patch-clamp technique [2] were used in the study

  12. Supramolecular protein immobilization on lipid bilayers

    NARCIS (Netherlands)

    Bosmans, R.P.G.; Hendriksen, W.E.; Verheijden, Mark Lloyd; Eelkema, R.; Jonkheijm, Pascal; van Esch, J.H.; Brunsveld, Luc

    2015-01-01

    Protein immobilization on surfaces, and on lipid bilayers specifically, has great potential in biomolecular and biotechnological research. Of current special interest is the immobilization of proteins using supramolecular noncovalent interactions. This allows for a reversible immobilization and

  13. Experimental determination of the structure of H3+

    International Nuclear Information System (INIS)

    Gaillard, M.J.; Gemmell, D.S.; Goldring, G.; Levine, I.; Pietsch, W.J.; Poizat, J.C.; Ratkowski, A.J.; Remillieux, J.; Vager, Z.; Zabransky, B.J.

    1978-01-01

    Three different measurements on the structure of the H 3 + molecular ion are reported. The measurements all make use of a new technique: the foil-induced dissociation of a fast molecular-ion beam. It is shown that the structure is equilaterally triangular in shape. The most probable length of side of the triangle is determined by the three measurements to be 0.97 +- 0.03 A, 0.95 +- 0.06 A, and 1.2 +- 0.2 A, respectively

  14. Sulfated oligosaccharide structures, as determined by NMR techniques

    Energy Technology Data Exchange (ETDEWEB)

    Noseda, M.D.; Duarte, M.E.R.; Tischer, C.A.; Gorin, P.A.J. [Parana Univ., Curitiba, PR (Brazil). Dept. De Bioquimica; Cerezo, A.S. [Buenos Aires Univ. Nacional (Argentina). Dept. de Quimica Organica

    1997-12-31

    Carrageenans are sulfated polysaccharides, produced by red seaweeds (Rhodophyta), that have important biological and physico-chemical properties. Using partial autohydrolysis, we obtained sulfated oligosaccharides from a {lambda}-carrageenan (Noseda and Cerezo, 1993). These oligosaccharides are valuable not only for the study of the structures of the parent carrageenans but also for their possible biological activities. In this work we determined the chemical structure of one of the sulfated oligosaccharides using 1D and 2D NMR techniques. (author) 4 refs., 8 figs., 1 tabs.

  15. Taking MAD to the extreme: ultrafast protein structure determination

    International Nuclear Information System (INIS)

    Walsh, M.A.; Dementieva, I.; Evans, G.; Sanishvili, R.; Joachimiak, A.

    1999-01-01

    Multiwavelength anomalous diffraction data were measured in 23 min from a 16 kDa selenomethionyl-substituted protein, producing experimental phases to 2.25 (angstrom) resolution. The data were collected on a mosaic 3 x 3 charge-coupled device using undulator radiation from the Structural Biology Center 19ID beamline at the Argonne National Laboratory's Advanced Photon Source. The phases were independently obtained semiautomatically by two crystallographic program suites, CCP4 and CNS. The quality and speed of this data acquisition exemplify the opportunities at third-generation synchrotron sources for high-throughput protein crystal structure determination

  16. Implantation measurements to determine tritium permeation in first wall structures

    International Nuclear Information System (INIS)

    Holland, D.F.; Causey, R.A.

    1983-01-01

    A principal safety concern for a D-T burning fusion reactor is release of tritium during routine operation. Tritium implantation into first wall structures, and subsequent permeation into coolants, is potentially an important source of tritium loss. This paper reports on an experiment in which an ion accelerator was used to implant deuterium atoms in a stainless steel disk to simulate tritium implantation in first wall structures. The permeation rate was measured under various operating conditions. These results were used in the TMAP computer code to determine potential tritium loss rates for fusion reactors

  17. DETERMINANT FACTORS OF THE CAPITAL STRUCTURE OF BRAZILIAN TECHNOLOGY COMPANIES

    Directory of Open Access Journals (Sweden)

    Camila Freitas Sant´Ana

    2015-12-01

    Full Text Available The purpose of this study is to identify determinant factors of the capital structure of Brazilian technology companies. The research was characterized as descriptive, document and quantitative, consisting of 21 companies in the communications, telecommunications and digital industry, according to the Exame magazine ranking. The analysis was established from 2009 to 2013 using panel data regression. The results indicate that the growth rate of capital and control type have a positive relationship with the general and long-term debt. However, it was found that company size, profitability and type of capital point to a negative relationship with the capital structure.

  18. Enhanced electrical properties in bilayered ferroelectric thin films

    Science.gov (United States)

    Zhang, Hao; Long, WeiJie; Chen, YaQing; Guo, DongJie

    2013-03-01

    Sr2Bi4Ti5O18 (SBTi) single layered and Sr2Bi4Ti5O18/Pb(Zr0.53Ti0.47)O3 (SBTi/PZT) bilayered thin films have been prepared on Pt/TiO2/SiO2/Si substrates by pulsed-laser deposition (PLD). The related structural characterizations and electrical properties have been comparatively investigated. X-ray diffraction reveals that both films have crystallized into perovskite phases and scanning electron microscopy shows the sharp interfaces. Both films show well-saturated ferroelectric hysteresis loops, however, compared with the single layered SBTi films, the SBTi/PZT bilayered films have significantly increased remnant polarization ( P r) and decreased coercive field ( E c), with the applied field of 260 kV/cm. The measured P r and E c of SBTi and SBTi/PZT films were 7.9 μC/cm2, 88.1 kV/cm and 13.0 μC/cm2, 51.2 kV/cm, respectively. In addition, both films showed good fatigue-free characteristics, the switchable polarization decreased by 9% and 11% of the initial values after 2.2×109 switching cycles for the SBTi single layered films and the SBTi/PZT bilayered films, respectively. Our results may provide some guidelines for further optimization of multilayered ferroelectric thin films.

  19. Hybrid bilayer plasmonic metasurface efficiently manipulates visible light

    Science.gov (United States)

    Qin, Fei; Ding, Lu; Zhang, Lei; Monticone, Francesco; Chum, Chan Choy; Deng, Jie; Mei, Shengtao; Li, Ying; Teng, Jinghua; Hong, Minghui; Zhang, Shuang; Alù, Andrea; Qiu, Cheng-Wei

    2016-01-01

    Metasurfaces operating in the cross-polarization scheme have shown an interesting degree of control over the wavefront of transmitted light. Nevertheless, their inherently low efficiency in visible light raises certain concerns for practical applications. Without sacrificing the ultrathin flat design, we propose a bilayer plasmonic metasurface operating at visible frequencies, obtained by coupling a nanoantenna-based metasurface with its complementary Babinet-inverted copy. By breaking the radiation symmetry because of the finite, yet small, thickness of the proposed structure and benefitting from properly tailored intra- and interlayer couplings, such coupled bilayer metasurface experimentally yields a conversion efficiency of 17%, significantly larger than that of earlier single-layer designs, as well as an extinction ratio larger than 0 dB, meaning that anomalous refraction dominates the transmission response. Our finding shows that metallic metasurface can counterintuitively manipulate the visible light as efficiently as dielectric metasurface (~20% in conversion efficiency in Lin et al.’s study), although the metal’s ohmic loss is much higher than dielectrics. Our hybrid bilayer design, still being ultrathin (~λ/6), is found to obey generalized Snell’s law even in the presence of strong couplings. It is capable of efficiently manipulating visible light over a broad bandwidth and can be realized with a facile one-step nanofabrication process. PMID:26767195

  20. Chiral Tunnelling in Twisted Graphene Bilayer

    OpenAIRE

    He, Wen-Yu; Chu, Zhao-Dong; He, Lin

    2013-01-01

    The perfect transmission in graphene monolayer and the perfect reflection in Bernal graphene bilayer for electrons incident in the normal direction of a potential barrier are viewed as two incarnations of the Klein paradox. Here we show a new and unique incarnation of the Klein paradox. Owing to the different chiralities of the quasiparticles involved, the chiral fermions in twisted graphene bilayer shows adjustable probability of chiral tunnelling for normal incidence: they can be changed fr...

  1. Reactions of radicals with lecithin bilayers

    International Nuclear Information System (INIS)

    Barber, D.J.W.; Thomas, J.K.

    1978-01-01

    The kinetics of reaction of .OH and e/sub aq/ - with lecithin bilayers have been measured. The rate for .OH + lecithin is 5.1 +- 0.9 x 10 8 M -1 sec -1 while the e/sub aq/ - + lecithin rate is very slow. When a solute such as pyrene is solubilized in the bilayer, .OH and e/sub aq/ - may react with the solute; rates of 1.65 +- 0.12 x 10 9 M -1 sec -1 and 7 x 10 7 M -1 sec -1 have been measured for reaction of .OH and e/sub aq/ - , respectively, with pyrene in lecithin. These rates are lower than those observed for similar reactions in homogeneous systems. This is explained in terms of (a) the protective effect of the bilayer, this being especially true for e/sub aq/ - which does not readily leave the aqueous phase, and (b) in terms of the restricted diffusion imposed on the reactive species by the bilayer. The kinetics in these model systems are relevant to reactions of radicals with membranes. Long-term alteration in the model membrane following .OH attack is manifested in terms of damage to the head group, increasing water penetration of the bilayer, and of cross-linking with the membrane, thereby restricting motion in the interior of the bilayer. Increased rigidity and leakiness of membranes is an expected consequence of radiation damage

  2. Study of Sb/SnO{sub 2} bi-layer films prepared by ion beam sputtering deposition technique

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chun-Min [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Huang, Chun-Chieh [Department of Electrical Engineering, Cheng Shiu University, No. 840, Chengcing Road, Niaosong Township, Kaohsiung 833, Taiwan, ROC (China); Kuo, Jui-Chao [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Huang, Jow-Lay, E-mail: jlh888@mail.ncku.edu.tw [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Department of Chemical and Materials Engineering, National University of Kaohsiung, Kaohsiung 811, Taiwan, ROC (China); Research Center for Energy Technology and Strategy, National Cheng Kung University, Tainan 701, Taiwan, ROC (China)

    2014-11-03

    In the present work, bi-layer thin films of Sb/SnO{sub 2} were produced on unheated glass substrates using ion beam sputtering (IBS) technique without post annealing treatment. The thickness of Sb layers was varied from 2 to 10 nm and the Sb layers were deposited on SnO{sub 2} layers having thicknesses of 40 nm to 115 nm. The effect of thickness was studied on the morphological, electrical and optical properties. The Sb/SnO{sub 2} bi-layer resulted in lowering the electrical resistivity as well as reducing the optical transmittance. However, the optical and electrical properties of the bi-layer films were mainly influenced by the thickness of Sb layers due to progressive transfer in structures from aggregate to continuous films. The bi-layer films show the electrical resistivity of 1.4 × 10{sup −3} Ω cm and an optical transmittance of 26% for Sb film having 10 nm thickness. - Highlights: • Bi-layer Sb/SnO{sub 2} structures were synthesized by ion beam sputtering (IBS) technique. • The 6 nm-thick Sb film is a transition region in this study. • The conductivity of the bi-layer films is increased as Sb thickness increases. • The transmittance of the bi-layer films is decreased as Sb thickness increases.

  3. The potential for biological structure determination with pulsed neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, C.C. [CLRC Rutherford Appleton Laboratory, Chilton Didcot Oxon (United Kingdom)

    1994-12-31

    The potential of pulsed neutron diffraction in structural determination of biological materials is discussed. The problems and potential solutions in this area are outlined, with reference to both current and future sources and instrumentation. The importance of developing instrumentation on pulsed sources in emphasized, with reference to the likelihood of future expansion in this area. The possibilities and limitations of single crystal, fiber and powder diffraction in this area are assessed.

  4. The potential for biological structure determination with pulsed neutrons

    International Nuclear Information System (INIS)

    Wilson, C.C.

    1994-01-01

    The potential of pulsed neutron diffraction in structural determination of biological materials is discussed. The problems and potential solutions in this area are outlined, with reference to both current and future sources and instrumentation. The importance of developing instrumentation on pulsed sources in emphasized, with reference to the likelihood of future expansion in this area. The possibilities and limitations of single crystal, fiber and powder diffraction in this area are assessed

  5. Determining the helicity structure of third generation resonances

    International Nuclear Information System (INIS)

    Papaefstathiou, Andreas

    2011-11-01

    We examine methods that have been proposed for determining the helicity structure of decays of new resonances to third generation quarks and/or leptons. We present analytical and semi-analytical predictions and assess the applicability of the relevant variables in realistic reconstruction scenarios using Monte Carlo-generated events, including the effects of QCD radiation and multiple parton interactions, combinatoric ambiguities and fast detector simulation. (orig.)

  6. Determination of the Basin Structure Beneath European Side of Istanbul

    Science.gov (United States)

    Karabulut, Savas; Cengiz Cinku, Mulla; Thomas, Michael; Lamontagne, Maurice

    2016-04-01

    Istanbul (near North Anatolian Fault Zone:NAFZ, Turkey) is located in northern part of Sea of Marmara, an area that has been influenced by possible Marmara Earthquakes. The general geology of Istanbul divided into two stratigraphic unit such as sedimentary (from Oligocene to Quaternary Deposits) and bedrock (Paleozoic and Eocene). The bedrock units consists of sand stone, clay stone to Paleozoic age and limestone to Eocene age and sedimentary unit consist of sand, clay, mil and gravel from Oligocene to Quaternary age. Earthquake disaster mitigation studies divided into two important phases, too. Firstly, earthquake, soil and engineering structure problems identify for investigation area, later on strategic emergency plan can prepare for these problems. Soil amplification play important role the disaster mitigation and the site effect analysis and basin structure is also a key parameter for determining of site effect. Some geophysical, geological and geotechnical measurements are requeired to defined this relationship. Istanbul Megacity has been waiting possible Marmara Earthquake and their related results. In order to defined to possible damage potential related to site effect, gravity measurements carried out for determining to geological structure, basin geometry and faults in Istanbul. Gravity data were collected at 640 sites by using a Scientrex CG-5 Autogravity meter Standard corrections applied to the gravity data include those for instrumental drift, Earth tides and latitude, and the free-air and Bouguer corrections. The corrected gravity data were imported into a Geosoft database to create a grid and map of the Bouguer gravity anomaly (grid cell size of 200 m). As a previously results, we determined some lineminants, faults and basins beneath Istanbul City. Especially, orientation of faults were NW-SE direction and some basin structures determined on between Buyukcekmece and Kucukcekmece Lake.

  7. MOTIVATION INTERNALIZATION AND SIMPLEX STRUCTURE IN SELF-DETERMINATION THEORY.

    Science.gov (United States)

    Ünlü, Ali; Dettweiler, Ulrich

    2015-12-01

    Self-determination theory, as proposed by Deci and Ryan, postulated different types of motivation regulation. As to the introjected and identified regulation of extrinsic motivation, their internalizations were described as "somewhat external" and "somewhat internal" and remained undetermined in the theory. This paper introduces a constrained regression analysis that allows these vaguely expressed motivations to be estimated in an "optimal" manner, in any given empirical context. The approach was even generalized and applied for simplex structure analysis in self-determination theory. The technique was exemplified with an empirical study comparing science teaching in a classical school class versus an expeditionary outdoor program. Based on a sample of 84 German pupils (43 girls, 41 boys, 10 to 12 years old), data were collected using the German version of the Academic Self-Regulation Questionnaire. The science-teaching format was seen to not influence the pupils' internalization of identified regulation. The internalization of introjected regulation differed and shifted more toward the external pole in the outdoor teaching format. The quantification approach supported the simplex structure of self-determination theory, whereas correlations may disconfirm the simplex structure.

  8. Determinants of capital structure: evidence from the Czech automotive industry

    Directory of Open Access Journals (Sweden)

    Pavlína Pinková

    2012-01-01

    Full Text Available The objective of the paper is to identify the determinants influencing the capital structure of large and medium-sized enterprises of the automotive industry in the Czech Republic. The sample consists of 100 companies belonging to NACE division 29. The data come from financial statements of selected companies and cover a period from 2006 to 2010. For the purpose of the paper quantitative research is used. The selection of appropriate dependent and independent is realized on the basis of secondary research on studies of capital structure. The analysis of variance, correlation and regression analyses have been performed to see the nature of relationship between variables. Size, tangibility, profitability and liquidity appear to be relevant determinants of capital structure. Growth is not a statistically significant determinant of leverage. It has been observed that the maturity of debt has to be considered, since the investigation of total debt only does not provide precious results. The findings do not unequivocally support either the static trade-off theory or the pecking order theory.

  9. Local magnetic structure determination using polarized neutron holography

    International Nuclear Information System (INIS)

    Szakál, Alex; Markó, Márton; Cser, László

    2015-01-01

    A unique and important property of the neutron is that it possesses magnetic moment. This property is widely used for determination of magnetic structure of crystalline samples observing the magnetic components of the diffraction peaks. Investigations of diffraction patterns give information only about the averaged structure of a crystal but for discovering of local spin arrangement around a specific (e.g., impurity) nucleus remains still a challenging problem. Neutron holography is a useful tool to investigate the local structure around a specific nucleus embedded in a crystal lattice. The method has been successfully applied experimentally in several cases using non-magnetic short range interaction of the neutron and the nucleus. A mathematical model of the hologram using interaction between magnetic moment of the atom and the neutron spin for polarized neutron holography is provided. Validity of a polarized neutron holographic experiment is demonstrated by applying the proposed method on model systems

  10. Multidimensional oriented solid-state NMR experiments enable the sequential assignment of uniformly 15N labeled integral membrane proteins in magnetically aligned lipid bilayers

    International Nuclear Information System (INIS)

    Mote, Kaustubh R.; Gopinath, T.; Traaseth, Nathaniel J.; Kitchen, Jason; Gor’kov, Peter L.; Brey, William W.; Veglia, Gianluigi

    2011-01-01

    Oriented solid-state NMR is the most direct methodology to obtain the orientation of membrane proteins with respect to the lipid bilayer. The method consists of measuring 1 H- 15 N dipolar couplings (DC) and 15 N anisotropic chemical shifts (CSA) for membrane proteins that are uniformly aligned with respect to the membrane bilayer. A significant advantage of this approach is that tilt and azimuthal (rotational) angles of the protein domains can be directly derived from analytical expression of DC and CSA values, or, alternatively, obtained by refining protein structures using these values as harmonic restraints in simulated annealing calculations. The Achilles’ heel of this approach is the lack of suitable experiments for sequential assignment of the amide resonances. In this Article, we present a new pulse sequence that integrates proton driven spin diffusion (PDSD) with sensitivity-enhanced PISEMA in a 3D experiment ([ 1 H, 15 N]-SE-PISEMA-PDSD). The incorporation of 2D 15 N/ 15 N spin diffusion experiments into this new 3D experiment leads to the complete and unambiguous assignment of the 15 N resonances. The feasibility of this approach is demonstrated for the membrane protein sarcolipin reconstituted in magnetically aligned lipid bicelles. Taken with low electric field probe technology, this approach will propel the determination of sequential assignment as well as structure and topology of larger integral membrane proteins in aligned lipid bilayers.

  11. Multidimensional oriented solid-state NMR experiments enable the sequential assignment of uniformly 15N labeled integral membrane proteins in magnetically aligned lipid bilayers.

    Science.gov (United States)

    Mote, Kaustubh R; Gopinath, T; Traaseth, Nathaniel J; Kitchen, Jason; Gor'kov, Peter L; Brey, William W; Veglia, Gianluigi

    2011-11-01

    Oriented solid-state NMR is the most direct methodology to obtain the orientation of membrane proteins with respect to the lipid bilayer. The method consists of measuring (1)H-(15)N dipolar couplings (DC) and (15)N anisotropic chemical shifts (CSA) for membrane proteins that are uniformly aligned with respect to the membrane bilayer. A significant advantage of this approach is that tilt and azimuthal (rotational) angles of the protein domains can be directly derived from analytical expression of DC and CSA values, or, alternatively, obtained by refining protein structures using these values as harmonic restraints in simulated annealing calculations. The Achilles' heel of this approach is the lack of suitable experiments for sequential assignment of the amide resonances. In this Article, we present a new pulse sequence that integrates proton driven spin diffusion (PDSD) with sensitivity-enhanced PISEMA in a 3D experiment ([(1)H,(15)N]-SE-PISEMA-PDSD). The incorporation of 2D (15)N/(15)N spin diffusion experiments into this new 3D experiment leads to the complete and unambiguous assignment of the (15)N resonances. The feasibility of this approach is demonstrated for the membrane protein sarcolipin reconstituted in magnetically aligned lipid bicelles. Taken with low electric field probe technology, this approach will propel the determination of sequential assignment as well as structure and topology of larger integral membrane proteins in aligned lipid bilayers. © Springer Science+Business Media B.V. 2011

  12. Regulation of membrane protein function by lipid bilayer elasticity—a single molecule technology to measure the bilayer properties experienced by an embedded protein

    DEFF Research Database (Denmark)

    Lundbæk, Jens August

    2008-01-01

    , regulate a number of structurally unrelated proteins in an apparently non-specific manner. It is well known that changes in the physical properties of a lipid bilayer (e.g., thickness or monolayer spontaneous curvature) can affect the function of an embedded protein. However, the role of such changes......-dependent sodium channels, N-type calcium channels and GABAA receptors, it has been shown that membrane protein function in living cells can be regulated by amphiphile induced changes in bilayer elasticity. Using the gramicidin channel as a molecular force transducer, a nanotechnology to measure the elastic...... properties experienced by an embedded protein has been developed. A theoretical and technological framework, to study the regulation of membrane protein function by lipid bilayer elasticity, has been established....

  13. DNA nanotubes for NMR structure determination of membrane proteins.

    Science.gov (United States)

    Bellot, Gaëtan; McClintock, Mark A; Chou, James J; Shih, William M

    2013-04-01

    Finding a way to determine the structures of integral membrane proteins using solution nuclear magnetic resonance (NMR) spectroscopy has proved to be challenging. A residual-dipolar-coupling-based refinement approach can be used to resolve the structure of membrane proteins up to 40 kDa in size, but to do this you need a weak-alignment medium that is detergent-resistant and it has thus far been difficult to obtain such a medium suitable for weak alignment of membrane proteins. We describe here a protocol for robust, large-scale synthesis of detergent-resistant DNA nanotubes that can be assembled into dilute liquid crystals for application as weak-alignment media in solution NMR structure determination of membrane proteins in detergent micelles. The DNA nanotubes are heterodimers of 400-nm-long six-helix bundles, each self-assembled from a M13-based p7308 scaffold strand and >170 short oligonucleotide staple strands. Compatibility with proteins bearing considerable positive charge as well as modulation of molecular alignment, toward collection of linearly independent restraints, can be introduced by reducing the negative charge of DNA nanotubes using counter ions and small DNA-binding molecules. This detergent-resistant liquid-crystal medium offers a number of properties conducive for membrane protein alignment, including high-yield production, thermal stability, buffer compatibility and structural programmability. Production of sufficient nanotubes for four or five NMR experiments can be completed in 1 week by a single individual.

  14. Structural determinants and mechanism of HIV-1 genome packaging.

    Science.gov (United States)

    Lu, Kun; Heng, Xiao; Summers, Michael F

    2011-07-22

    Like all retroviruses, the human immunodeficiency virus selectively packages two copies of its unspliced RNA genome, both of which are utilized for strand-transfer-mediated recombination during reverse transcription-a process that enables rapid evolution under environmental and chemotherapeutic pressures. The viral RNA appears to be selected for packaging as a dimer, and there is evidence that dimerization and packaging are mechanistically coupled. Both processes are mediated by interactions between the nucleocapsid domains of a small number of assembling viral Gag polyproteins and RNA elements within the 5'-untranslated region of the genome. A number of secondary structures have been predicted for regions of the genome that are responsible for packaging, and high-resolution structures have been determined for a few small RNA fragments and protein-RNA complexes. However, major questions regarding the RNA structures (and potentially the structural changes) that are responsible for dimeric genome selection remain unanswered. Here, we review efforts that have been made to identify the molecular determinants and mechanism of human immunodeficiency virus type 1 genome packaging. Copyright © 2011 Elsevier Ltd. All rights reserved.

  15. Influences of the Structure of Lipids on Thermal Stability of Lipid Membranes

    International Nuclear Information System (INIS)

    Hai Nan-Nan; Zhou Xin; Li Ming

    2015-01-01

    The binding free energy (BFE) of lipid to lipid bilayer is a critical factor to determine the thermal or mechanical stability of the bilayer. Although the molecular structure of lipids has significant impacts on BFE of the lipid, there lacks a systematic study on this issue. In this paper we use coarse-grained molecular dynamics simulation to investigate this problem for several typical phospholipids. We find that both the tail length and tail unsaturation can significantly affect the BFE of lipids but in opposite way, namely, BFE decreases linearly with increasing length, but increases linearly with addition of unsaturated bonds. Inspired by the specific structure of cholesterol which is a crucial component of biomembrane, we also find that introduction of carbo-ring-like structures to the lipid tail or to the bilayer may greatly enhance the stability of the bilayer. Our simulation also shows that temperature can influence the bilayer stability and this effect can be significant when the bilayer undergoes phase transition. These results may be helpful to the design of liposome or other self-assembled lipid systems. (paper)

  16. Exceptional Optoelectronic Properties of Hydrogenated Bilayer Silicene

    Directory of Open Access Journals (Sweden)

    Bing Huang

    2014-05-01

    Full Text Available Silicon is arguably the best electronic material, but it is not a good optoelectronic material. By employing first-principles calculations and the cluster-expansion approach, we discover that hydrogenated bilayer silicene (BS shows promising potential as a new kind of optoelectronic material. Most significantly, hydrogenation converts the intrinsic BS, a strongly indirect semiconductor, into a direct-gap semiconductor with a widely tunable band gap. At low hydrogen concentrations, four ground states of single- and double-sided hydrogenated BS are characterized by dipole-allowed direct (or quasidirect band gaps in the desirable range from 1 to 1.5 eV, suitable for solar applications. At high hydrogen concentrations, three well-ordered double-sided hydrogenated BS structures exhibit direct (or quasidirect band gaps in the color range of red, green, and blue, affording white light-emitting diodes. Our findings open opportunities to search for new silicon-based light-absorption and light-emitting materials for earth-abundant, high-efficiency, optoelectronic applications.

  17. Defining an essence of structure determining residue contacts in proteins.

    Science.gov (United States)

    Sathyapriya, R; Duarte, Jose M; Stehr, Henning; Filippis, Ioannis; Lappe, Michael

    2009-12-01

    The network of native non-covalent residue contacts determines the three-dimensional structure of a protein. However, not all contacts are of equal structural significance, and little knowledge exists about a minimal, yet sufficient, subset required to define the global features of a protein. Characterisation of this "structural essence" has remained elusive so far: no algorithmic strategy has been devised to-date that could outperform a random selection in terms of 3D reconstruction accuracy (measured as the Ca RMSD). It is not only of theoretical interest (i.e., for design of advanced statistical potentials) to identify the number and nature of essential native contacts-such a subset of spatial constraints is very useful in a number of novel experimental methods (like EPR) which rely heavily on constraint-based protein modelling. To derive accurate three-dimensional models from distance constraints, we implemented a reconstruction pipeline using distance geometry. We selected a test-set of 12 protein structures from the four major SCOP fold classes and performed our reconstruction analysis. As a reference set, series of random subsets (ranging from 10% to 90% of native contacts) are generated for each protein, and the reconstruction accuracy is computed for each subset. We have developed a rational strategy, termed "cone-peeling" that combines sequence features and network descriptors to select minimal subsets that outperform the reference sets. We present, for the first time, a rational strategy to derive a structural essence of residue contacts and provide an estimate of the size of this minimal subset. Our algorithm computes sparse subsets capable of determining the tertiary structure at approximately 4.8 A Ca RMSD with as little as 8% of the native contacts (Ca-Ca and Cb-Cb). At the same time, a randomly chosen subset of native contacts needs about twice as many contacts to reach the same level of accuracy. This "structural essence" opens new avenues in the

  18. Enhanced Circular Dichroism of Gold Bilayered Slit Arrays Embedded with Rectangular Holes.

    Science.gov (United States)

    Zhang, Hao; Wang, Yongkai; Luo, Lina; Wang, Haiqing; Zhang, Zhongyue

    2017-01-01

    Gold bilayered slit arrays with rectangular holes embedded into the metal surface are designed to enhance the circular dichroism (CD) effect of gold bilayered slit arrays. The rectangular holes in these arrays block electric currents and generate localized surface plasmons around these holes, thereby strengthening the CD effect. The CD enhancement factor depends strongly on the rotational angle and the structural parameters of the rectangular holes; this factor can be enhanced further by drilling two additional rectangular holes into the metal surfaces of the arrays. These results help facilitate the design of chiral structures to produce a strong CD effect and large electric fields.

  19. Synthesis and Structural Determination of Temocapril Sulfoxide Hydrochlorides

    International Nuclear Information System (INIS)

    Seong, Seok Bong; Moon, Jong Taik; Kim, Jung Ahn; Choo, Dong Joon; Lee, Jae Yeol

    2012-01-01

    Impurity (or related substance) control in pharmaceutical products is a primary goal of drug development. Stringent international regulatory requirements have been in place for several years as outlined in the International Conference on Harmonization (ICH) Guidelines Q3A (R), Q3B (R) and Q3C. According to ICH guidelines, impurities associated with the manufacture of a drug substance, also known as an active pharmaceutical ingredient (API), are classified into the following categories: (1) organic impurities (process and drug-related); (2) inorganic impurities (3) residual solvents. Many potential impurities result from the API manufacturing process including starting materials, isomers, intermediates, reagents, solvents, catalysts and reaction by-products. These potential impurities should be investigated to determine process control mechanisms for their removal and the need for specification controls at appropriate points in the process. The suggested structures of the impurities can be synthesized and will provide the final evidence for their structures, previously determined by spectroscopic methods. Therefore it is essential to know the structure of these impurities in the bulk drug in order to alter the reaction condition and to reduce the quantity of impurity to an acceptable level. Isolation, identification and quantification of impurities help the pharmaceutical company to obtain a pure substance with less toxicity and safety in drug therapy

  20. Assessment of carotid plaque vulnerability using structural and geometrical determinants

    International Nuclear Information System (INIS)

    Li, Z.Y.; Tang, T.; U-King-Im, J.; Graves, M.; Gillard, J.H.; Sutcliffe, M.

    2008-01-01

    Because many acute cerebral ischemic events are caused by rupture of vulnerable carotid atheroma and subsequent thrombosis, the present study used both idealized and patient-specific carotid atheromatous plaque models to evaluate the effect of structural determinants on stress distributions within plaque. Using a finite element method, structural analysis was performed using models derived from in vivo high-resolution magnetic resonance imaging (MRI) of carotid atheroma in 40 non-consecutive patients (20 symptomatic, 20 asymptomatic). Plaque components were modeled as hyper-elastic materials. The effects of varying fibrous cap thickness, lipid core size and lumen curvature on plaque stress distributions were examined. Lumen curvature and fibrous cap thickness were found to be major determinants of plaque stress. The size of the lipid core did not alter plaque stress significantly when the fibrous cap was relatively thick. The correlation between plaque stress and lumen curvature was significant for both symptomatic (p=0.01; correlation coefficient: 0.689) and asymptomatic patients (p=0.01; correlation coefficient: 0.862). Lumen curvature in plaques of symptomatic patients was significantly larger than those of asymptomatic patients (1.50±1.0 mm -1 vs 1.25±0.75 mm -1 ; p=0.01). Specific plaque morphology (large lumen curvature and thin fibrous cap) is closely related to plaque vulnerability. Structural analysis using high-resolution MRI of carotid atheroma may help in detecting vulnerable atheromatous plaque and aid the risk stratification of patients with carotid disease. (author)

  1. X-ray structure determination and deuteration of nattokinase.

    Science.gov (United States)

    Yanagisawa, Yasuhide; Chatake, Toshiyuki; Naito, Sawa; Ohsugi, Tadanori; Yatagai, Chieko; Sumi, Hiroyuki; Kawaguchi, Akio; Chiba-Kamosida, Kaori; Ogawa, Megumi; Adachi, Tatsumi; Morimoto, Yukio

    2013-11-01

    Nattokinase (NK) is a strong fibrinolytic enzyme, which is produced in abundance by Bacillus subtilis natto. Although NK is a member of the subtilisin family, it displays different substrate specificity when compared with other subtilisins. The results of molecular simulations predict that hydrogen arrangements around Ser221 at the active site probably account for the substrate specificity of NK. Therefore, neutron crystallographic analysis should provide valuable information that reveals the enzymatic mechanism of NK. In this report, the X-ray structure of the non-hydrogen form of undeuterated NK was determined, and the preparation of deuterated NK was successfully achieved. The non-hydrogen NK structure was determined at 1.74 Å resolution. The three-dimensional structures of NK and subtilisin E from Bacillus subtilis DB104 are near identical. Deuteration of NK was carried out by cultivating Bacillus subtilis natto in deuterated medium. The D2O resistant strain of Bacillus subtilis natto was obtained by successive cultivation rounds, in which the concentration of D2O in the medium was gradually increased. NK was purified from the culture medium and its activity was confirmed by the fibrin plate method. The results lay the framework for neutron protein crystallography analysis.

  2. High-resolution orientation and depth of insertion of the voltage-sensing S4 helix of a potassium channel in lipid bilayers.

    Science.gov (United States)

    Doherty, Tim; Su, Yongchao; Hong, Mei

    2010-08-27

    The opening and closing of voltage-gated potassium (Kv) channels are controlled by several conserved Arg residues in the S4 helix of the voltage-sensing domain. The interaction of these positively charged Arg residues with the lipid membrane has been of intense interest for understanding how membrane proteins fold to allow charged residues to insert into lipid bilayers against free-energy barriers. Using solid-state NMR, we have now determined the orientation and insertion depth of the S4 peptide of the KvAP channel in lipid bilayers. Two-dimensional (15)N correlation experiments of macroscopically oriented S4 peptide in phospholipid bilayers revealed a tilt angle of 40 degrees and two possible rotation angles differing by 180 degrees around the helix axis. Remarkably, the tilt angle and one of the two rotation angles are identical to those of the S4 helix in the intact voltage-sensing domain, suggesting that interactions between the S4 segment and other helices of the voltage-sensing domain are not essential for the membrane topology of the S4 helix. (13)C-(31)P distances between the S4 backbone and the lipid (31)P indicate a approximately 9 A local thinning and 2 A average thinning of the DMPC (1,2-dimyristoyl-sn-glycero-3-phosphochloline)/DMPG (1,2-dimyristoyl-sn-glycero-3-phosphatidylglycerol) bilayer, consistent with neutron diffraction data. Moreover, a short distance of 4.6 A from the guanidinium C(zeta) of the second Arg to (31)P indicates the existence of guanidinium phosphate hydrogen bonding and salt bridges. These data suggest that the structure of the Kv gating helix is mainly determined by protein-lipid interactions instead of interhelical protein-protein interactions, and the S4 amino acid sequence encodes sufficient information for the membrane topology of this crucial gating helix. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

  3. Effect of electrolyte composition and deposition current for Fe/Fe-P electroformed bilayers for biodegradable metallic medical applications

    Energy Technology Data Exchange (ETDEWEB)

    Mostavan, Afghany [Laboratory for Biomaterials and Bioengineering, Canada Research Chair Tier I, Department of Mining, Metallurgy and Materials Engineering, the CHU de Québec Research Centre, Québec City, QC G1V 0A6 (Canada); Department of Mining, Metallurgy and Materials Engineering, Laval University, Québec City, QC G1V 0A6 (Canada); Paternoster, Carlo; Tolouei, Ranna [Laboratory for Biomaterials and Bioengineering, Canada Research Chair Tier I, Department of Mining, Metallurgy and Materials Engineering, the CHU de Québec Research Centre, Québec City, QC G1V 0A6 (Canada); Ghali, Edward; Dubé, Dominique [Department of Mining, Metallurgy and Materials Engineering, Laval University, Québec City, QC G1V 0A6 (Canada); Mantovani, Diego, E-mail: Diego.Mantovani@gmn.ulaval.ca [Laboratory for Biomaterials and Bioengineering, Canada Research Chair Tier I, Department of Mining, Metallurgy and Materials Engineering, the CHU de Québec Research Centre, Québec City, QC G1V 0A6 (Canada); Department of Mining, Metallurgy and Materials Engineering, Laval University, Québec City, QC G1V 0A6 (Canada)

    2017-01-01

    With its proven biocompatibility and excellent mechanical properties, iron is an excellent source material for clinical cardiac and vascular applications. However, its relatively low degradation rate limits its use for the healing and remodeling of diseased blood vessels. To address these issues, a multi-purpose fabrication process to develop a bilayer alloy composed of electroformed iron (E-Fe) and iron-phosphorus (Fe-P) was employed. Bilayers of Fe/Fe-P were produced in an electrolytic bath. The effects of electrolyte chemical composition and deposition current density (i{sub dep}) on layer structure and chemical composition were assessed by scanning electron microscopy, electron probe microanalysis, X-ray diffraction and X-ray photoelectron spectroscopy. The corrosion rate was determined by potentiodynamic polarization tests. The bilayers showed an increasing amount of P with increasing NaH{sub 2}PO{sub 4}·H{sub 2}O in the electrolyte. Fe-P structure became finer for higher P amounts. Potentiodynamic polarization tests revealed that the corrosion rate was strongly influenced by deposition conditions. For a P amount of ~ 2 wt. %, the corrosion rate was 1.46 mm/year, which confirms the potential of this material to demonstrate high mechanical properties and a suitable corrosion rate for biomedical applications. - Highlights: • A phosphates and Fe chloride electrolyte was used for the fabrication of a multilayer of Fe/FeP. • Up to ~ 14% at. P was deposited by co-deposition of Fe and P. • The corrosion rate for the layer with a ~ 3% at. P was the highest one and equal to 1.46 mm/year. • For a 14% at. P, the FeP alloy shows a texture change, with only (110) reflection visible.

  4. A use of Ramachandran potentials in protein solution structure determinations

    International Nuclear Information System (INIS)

    Bertini, Ivano; Cavallaro, Gabriele; Luchinat, Claudio; Poli, Irene

    2003-01-01

    A strategy is developed to use database-derived φ-ψ constraints during simulated annealing procedures for protein solution structure determination in order to improve the Ramachandran plot statistics, while maintaining the agreement with the experimental constraints as the sole criterion for the selection of the family. The procedure, fully automated, consists of two consecutive simulated annealing runs. In the first run, the database-derived φ-ψ constraints are enforced for all aminoacids (but prolines and glycines). A family of structures is then selected on the ground of the lowest violations of the experimental constraints only, and the φ-ψ values for each residue are examined. In the second and final run, the database-derived φ-ψ constraints are enforced only for those residues which in the first run have ended in one and the same favored φ-ψ region. For residues which are either spread over different favored regions or concentrated in disallowed regions, the constraints are not enforced. The final family is then selected, after the second run, again only based on the agreement with the experimental constraints. This automated approach was implemented in DYANA and was tested on as many as 12 proteins, including some containing paramagnetic metals, whose structures had been previously solved in our laboratory. The quality of the structures, and of Ramachandran plot statistics in particular, was notably improved while preserving the agreement with the experimental constraints

  5. What determines the structures of native folds of proteins?

    International Nuclear Information System (INIS)

    Trovato, Antonio; Hoang, Trinh X; Banavar, Jayanth R; Maritan, Amos; Seno, Flavio

    2005-01-01

    We review a simple physical model (Hoang et al 2004 Proc. Natl Acad. Sci. USA 101 7960, Banavar et al 2004 Phys. Rev. E at press) which captures the essential physico-chemical ingredients that determine protein structure, such as the inherent anisotropy of a chain molecule, the geometrical and energetic constraints placed by hydrogen bonds, sterics, and hydrophobicity. Within this framework, marginally compact conformations resembling the native state folds of proteins emerge as competing minima in the free energy landscape. Here we demonstrate that a hydrophobic-polar (HP) sequence composed of regularly repeated patterns has as its ground state a β-helical structure remarkably similar to a known architecture in the Protein Data Bank

  6. Host Proteins Determine MRSA Biofilm Structure and Integrity

    DEFF Research Database (Denmark)

    Dreier, Cindy; Nielsen, Astrid; Jørgensen, Nis Pedersen

    Human extracellular matrix (hECM) proteins aids the initial attachment and initiation of an infection, by specific binding to bacterial cell surface proteins. However, the importance of hECM proteins in structure, integrity and antibiotic resilience of a biofilm is unknown. This study aims...... to determine how specific hECM proteins affect S. aureus USA300 JE2 biofilms. Biofilms were grown in the presence of synovial fluid from rheumatoid arteritis patients to mimic in vivo conditions, where bacteria incorporate hECM proteins into the biofilm matrix. Difference in biofilm structure, with and without...... addition of hECM to growth media, was visualized by confocal laser scanning microscopy. Two enzymatic degradation experiments were used to study biofilm matrix composition and importance of hECM proteins: enzymatic removal of specific hECM proteins from growth media, before biofilm formation, and enzymatic...

  7. Enhancement of resistive switching properties in Al2O3 bilayer-based atomic switches: multilevel resistive switching

    Science.gov (United States)

    Vishwanath, Sujaya Kumar; Woo, Hyunsuk; Jeon, Sanghun

    2018-06-01

    Atomic switches are considered to be building blocks for future non-volatile data storage and internet of things. However, obtaining device structures capable of ultrahigh density data storage, high endurance, and long data retention, and more importantly, understanding the switching mechanisms are still a challenge for atomic switches. Here, we achieved improved resistive switching performance in a bilayer structure containing aluminum oxide, with an oxygen-deficient oxide as the top switching layer and stoichiometric oxide as the bottom switching layer, using atomic layer deposition. This bilayer device showed a high on/off ratio (105) with better endurance (∼2000 cycles) and longer data retention (104 s) than single-oxide layers. In addition, depending on the compliance current, the bilayer device could be operated in four different resistance states. Furthermore, the depth profiles of the hourglass-shaped conductive filament of the bilayer device was observed by conductive atomic force microscopy.

  8. Purification and primary structure determination of human lysosomal dipeptidase.

    Science.gov (United States)

    Dolenc, Iztok; Mihelic, Marko

    2003-02-01

    The lysosomal metallopeptidase is an enzyme that acts preferentially on dipeptides with unsubstituted N- and C-termini. Its activity is highest in slightly acidic pH. Here we describe the isolation and characterization of lysosomal dipeptidase from human kidney. The isolated enzyme has the amino-terminal sequence DVAKAIINLAVY and is a homodimer with a molecular mass of 100 kDa. So far no amino acid sequence has been determined for this metallopeptidase. The complete primary structure as deduced from the nucleotide sequence revealed that the isolated dipeptidase is similar to blood plasma glutamate carboxypeptidase.

  9. Structure determination of spider silk from X-ray images

    Energy Technology Data Exchange (ETDEWEB)

    Ulrich, Stephan; Zippelius, Annette [Universitaet Goettingen, Institut fuer Theoretische Physik (Germany); Meling, Martin [Max-Planck-Institut fuer biophysikalische Chemie, Goettingen (Germany); Glisovic, Anja; Salditt, Tim [Universitaet Goettingen, Institut fuer Roentgenphysik (Germany)

    2008-07-01

    Spider silk consists of interconnected crystallites, which are typically aligned along the fiber axis. We present a method to systematically determine the structure of these crystallites. Hereby we introduce a model that calculates the scattering function G(q) which is fitted to the measured X-ray image (silk from nephila clavipes). With it, the crystallites' size, the constitution and dimensions of their unit cell, as well as their tilt with respect to the fiber axis is identified, and furthermore the effect of coherent scattering from different crystallites is investigated. The shown methods and the presented model can easily be generalized to a wide class of composite materials.

  10. Shallow lunar structure determined from the passive seismic experiment

    International Nuclear Information System (INIS)

    Nakamura, Y.; Dorman, J.; Duennebier, F.; Lammlein, D.; Latham, G.

    1975-01-01

    Data relevant to the shallow structure of the Moon obtained at the Apollo seismic stations are compared with previously published results of the active seismic experiments. It is concluded that the lunar surface is covered by a layer of low seismic velocity (Vsub(p) approximately equal to 100 ms -1 ), which appears to be equivalent to the lunar regolith defined previously by geological observations. This layer is underlain by a zone of distinctly higher seismic velocity at all of the Apollo landing sites. The regolith thicknesses at the Apollo 11, 12, and 15 sites are estimated from the shear-wave resonance to be 4.4, 3.7, and 4.4m, respectively. These thicknesses and those determined at the other Apollo sites by the active seismic experiments appear to be correlated with the age determinations and the abundances of extra-lunar components at the sites. (Auth.)

  11. Viscoelastic deformation of lipid bilayer vesicles†

    Science.gov (United States)

    Wu, Shao-Hua; Sankhagowit, Shalene; Biswas, Roshni; Wu, Shuyang; Povinelli, Michelle L.

    2015-01-01

    Lipid bilayers form the boundaries of the cell and its organelles. Many physiological processes, such as cell movement and division, involve bending and folding of the bilayer at high curvatures. Currently, bending of the bilayer is treated as an elastic deformation, such that its stress-strain response is independent of the rate at which bending strain is applied. We present here the first direct measurement of viscoelastic response in a lipid bilayer vesicle. We used a dual-beam optical trap (DBOT) to stretch 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) giant unilamellar vesicles (GUVs). Upon application of a step optical force, the vesicle membrane deforms in two regimes: a fast, instantaneous area increase, followed by a much slower stretching to an eventual plateau deformation. From measurements of dozens of GUVs, the average time constant of the slower stretching response was 0.225 ± 0.033 s (standard deviation, SD). Increasing the fluid viscosity did not affect the observed time constant. We performed a set of experiments to rule out heating by laser absorption as a cause of the transient behavior. Thus, we demonstrate here that the bending deformation of lipid bilayer membranes should be treated as viscoelastic. PMID:26268612

  12. Viscoelastic deformation of lipid bilayer vesicles.

    Science.gov (United States)

    Wu, Shao-Hua; Sankhagowit, Shalene; Biswas, Roshni; Wu, Shuyang; Povinelli, Michelle L; Malmstadt, Noah

    2015-10-07

    Lipid bilayers form the boundaries of the cell and its organelles. Many physiological processes, such as cell movement and division, involve bending and folding of the bilayer at high curvatures. Currently, bending of the bilayer is treated as an elastic deformation, such that its stress-strain response is independent of the rate at which bending strain is applied. We present here the first direct measurement of viscoelastic response in a lipid bilayer vesicle. We used a dual-beam optical trap (DBOT) to stretch 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) giant unilamellar vesicles (GUVs). Upon application of a step optical force, the vesicle membrane deforms in two regimes: a fast, instantaneous area increase, followed by a much slower stretching to an eventual plateau deformation. From measurements of dozens of GUVs, the average time constant of the slower stretching response was 0.225 ± 0.033 s (standard deviation, SD). Increasing the fluid viscosity did not affect the observed time constant. We performed a set of experiments to rule out heating by laser absorption as a cause of the transient behavior. Thus, we demonstrate here that the bending deformation of lipid bilayer membranes should be treated as viscoelastic.

  13. Bilayer graphene: gap tunability and edge properties

    International Nuclear Information System (INIS)

    Castro, Eduardo V; Santos, J M B Lopes dos; Peres, N M R; Guinea, F; Castro Neto, A H

    2008-01-01

    Bilayer graphene - two coupled single graphene layers stacked as in graphite - provides the only known semiconductor with a gap that can be tuned externally through electric field effect. Here we use a tight binding approach to study how the gap changes with the applied electric field. Within a parallel plate capacitor model and taking into account screening of the external field, we describe real back gated and/or chemically doped bilayer devices. We show that a gap between zero and midinfrared energies can be induced and externally tuned in these devices, making bilayer graphene very appealing from the point of view of applications. However, applications to nanotechnology require careful treatment of the effect of sample boundaries. This being particularly true in graphene, where the presence of edge states at zero energy - the Fermi level of the undoped system - has been extensively reported. Here we show that also bilayer graphene supports surface states localized at zigzag edges. The presence of two layers, however, allows for a new type of edge state which shows an enhanced penetration into the bulk and gives rise to band crossing phenomenon inside the gap of the biased bilayer system.

  14. Interlayer couplings, Moiré patterns, and 2D electronic superlattices in MoS 2 /WSe 2 hetero-bilayers

    KAUST Repository

    Zhang, Chendong

    2017-01-07

    By using direct growth, we create a rotationally aligned MoS2/WSe2 hetero-bilayer as a designer van der Waals heterostructure. With rotational alignment, the lattice mismatch leads to a periodic variation of atomic registry between individual van der Waals layers, exhibiting a Moiré pattern with a well-defined periodicity. By combining scanning tunneling microscopy/spectroscopy, transmission electron microscopy, and first-principles calculations, we investigate interlayer coupling as a function of atomic registry. We quantitatively determine the influence of interlayer coupling on the electronic structure of the hetero-bilayer at different critical points. We show that the direct gap semiconductor concept is retained in the bilayer although the valence and conduction band edges are located at different layers. We further show that the local bandgap is periodically modulated in the X-Y direction with an amplitude of ~0.15 eV, leading to the formation of a two-dimensional electronic superlattice.

  15. Possible mechanism of adhesion in a mica supported phospholipid bilayer

    International Nuclear Information System (INIS)

    Pertsin, Alexander; Grunze, Michael

    2014-01-01

    Phospholipid bilayers supported on hydrophilic solids like silica and mica play a substantial role in fundamental studies and technological applications of phospholipid membranes. In both cases the molecular mechanism of adhesion between the bilayer and the support is of primary interest. Since the possibilities of experimental methods in this specific area are rather limited, the methods of computer simulation acquire great importance. In this paper we use the grand canonical Monte Carlo technique and an atomistic force field to simulate the behavior of a mica supported phospholipid bilayer in pure water as a function of the distance between the bilayer and the support. The simulation reveals a possible adhesion mechanism, where the adhesion is due to individual lipid molecules that protrude from the bilayer and form widely spaced links with the support. Simultaneously, the bilayer remains separated from the bilayer by a thin water interlayer which maintains the bilayer fluidity

  16. Ionic motion in PEDOT and PPy conducting polymer bilayers

    DEFF Research Database (Denmark)

    Zainudeen, Umer L.; Careem, M.A.; Skaarup, Steen

    2006-01-01

    Conducting polymer bilayers with poly(3,4-ethylenedioxythiophene) (PEDOT) and polypyrrole (PPy), each containing dodecyl benzenesulfonate (DBS) as immobile dopant species, were synthesized galvanostatically. The electrochemical behaviour of the bilayers was investigated using cyclic voltammetry...

  17. Simple surface structure determination from Fourier transforms of angle-resolved photoemission extended fine structure

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Y. [Pennsylvania State Univ., University Park, PA (United States)]|[Lawrence Berkeley Lab., CA (United States); Shirley, D.A. [Pennsylvania State Univ., University Park, PA (United States)

    1995-02-01

    The authors show by Fourier analyses of experimental data, with no further treatment, that the positions of all the strong peaks in Fourier transforms of angle-resolved photoemission extended fine structure (ARPEFS) from adsorbed surfaces can be explicitly predicted from a trial structure with an accuracy of about {+-} 0.3 {angstrom} based on a single-scattering cluster model together with the concept of a strong backscattering cone, and without any additional analysis. This characteristic of ARPEFS Fourier transforms can be developed as a simple method for determining the structures of adsorbed surfaces to an accuracy of about {+-} 0.1 {angstrom}.

  18. Chiral tunneling in a twisted graphene bilayer.

    Science.gov (United States)

    He, Wen-Yu; Chu, Zhao-Dong; He, Lin

    2013-08-09

    The perfect transmission in a graphene monolayer and the perfect reflection in a Bernal graphene bilayer for electrons incident in the normal direction of a potential barrier are viewed as two incarnations of the Klein paradox. Here we show a new and unique incarnation of the Klein paradox. Owing to the different chiralities of the quasiparticles involved, the chiral fermions in a twisted graphene bilayer show an adjustable probability of chiral tunneling for normal incidence: they can be changed from perfect tunneling to partial or perfect reflection, or vice versa, by controlling either the height of the barrier or the incident energy. As well as addressing basic physics about how the chiral fermions with different chiralities tunnel through a barrier, our results provide a facile route to tune the electronic properties of the twisted graphene bilayer.

  19. Fabrication of Li-intercalated bilayer graphene

    Directory of Open Access Journals (Sweden)

    K. Sugawara

    2011-06-01

    Full Text Available We have succeeded in fabricating Li-intercalated bilayer graphene on silicon carbide. The low-energy electron diffraction from Li-deposited bilayer graphene shows a sharp 3×3R30° pattern in contrast to Li-deposited monolayer graphene. This indicates that Li atoms are intercalated between two adjacent graphene layers and take the same well-ordered superstructure as in bulk C6Li. The angle-resolved photoemission spectroscopy has revealed that Li atoms are fully ionized and the π bands of graphene are systematically folded by the superstructure of intercalated Li atoms, producing a snowflake-like Fermi surface centered at the Γ point. The present result suggests a high potential of Li-intercalated bilayer graphene for application to a nano-scale Li-ion battery.

  20. Schottky Barriers in Bilayer Phosphorene Transistors.

    Science.gov (United States)

    Pan, Yuanyuan; Dan, Yang; Wang, Yangyang; Ye, Meng; Zhang, Han; Quhe, Ruge; Zhang, Xiuying; Li, Jingzhen; Guo, Wanlin; Yang, Li; Lu, Jing

    2017-04-12

    It is unreliable to evaluate the Schottky barrier height (SBH) in monolayer (ML) 2D material field effect transistors (FETs) with strongly interacted electrode from the work function approximation (WFA) because of existence of the Fermi-level pinning. Here, we report the first systematical study of bilayer (BL) phosphorene FETs in contact with a series of metals with a wide work function range (Al, Ag, Cu, Au, Cr, Ti, Ni, and Pd) by using both ab initio electronic band calculations and quantum transport simulation (QTS). Different from only one type of Schottky barrier (SB) identified in the ML phosphorene FETs, two types of SBs are identified in BL phosphorene FETs: the vertical SB between the metallized and the intact phosphorene layer, whose height is determined from the energy band analysis (EBA); the lateral SB between the metallized and the channel BL phosphorene, whose height is determined from the QTS. The vertical SBHs show a better consistency with the lateral SBHs of the ML phosphorene FETs from the QTS compared than that of the popular WFA. Therefore, we develop a better and more general method than the WFA to estimate the lateral SBHs of ML semiconductor transistors with strongly interacted electrodes based on the EBA for its BL counterpart. In terms of the QTS, n-type lateral Schottky contacts are formed between BL phosphorene and Cr, Al, and Cu electrodes with electron SBH of 0.27, 0.31, and 0.32 eV, respectively, while p-type lateral Schottky contacts are formed between BL phosphorene and Pd, Ti, Ni, Ag, and Au electrodes with hole SBH of 0.11, 0.18, 0.19, 0.20, and 0.21 eV, respectively. The theoretical polarity and SBHs are in good agreement with available experiments. Our study provides an insight into the BL phosphorene-metal interfaces that are crucial for designing the BL phosphorene device.

  1. Effect of swift heavy ion irradiation on structural and opto-electrical properties of bi-layer CdS-Bi2S3 thin films prepared by solution growth technique at room temperature

    Science.gov (United States)

    Shaikh, Shaheed U.; Siddiqui, Farha Y.; Desale, Deepali J.; Ghule, Anil V.; Singh, Fouran; Kulriya, Pawan K.; Sharma, Ramphal

    2015-01-01

    CdS-Bi2S3 bi-layer thin films have been deposited by chemical bath deposition method on Indium Tin Oxide glass substrate at room temperature. The as-deposited thin films were annealed at 250 °C in an air atmosphere for 1 h. An air annealed thin film was irradiated using Au9+ ions with the energy of 120 MeV at fluence 5×1012 ions/cm2 using tandem pelletron accelerator. The irradiation induced modifications were studied using X-ray diffraction (XRD), Atomic Force Microscopy (AFM), Raman spectroscopy, UV spectroscopy and I-V characteristics. XRD study reveals that the as-deposited thin films were nanocrystalline in nature. The decrease in crystallite size, increase in energy band gap and resistivity were observed after irradiation. Results are explained on the basis of energy deposited by the electronic loss after irradiation. The comparative results of as-deposited, air annealed and irradiated CdS-Bi2S3 bi-layer thin films are presented.

  2. Planar perovskite solar cells employing copper(I) thiocyanate/N,N‧-di(1-naphthyl)-N,N‧-diphenyl-(1,1‧-biphenyl)-4,4‧-diamine bilayer structure as hole transport layers

    Science.gov (United States)

    Tseng, Zong-Liang; Chen, Lung-Chien

    2018-02-01

    Organic hole transport materials, such as N 2,N 2,N 2‧,N 2‧,N 7,N 7,N 7‧,N 7‧-octakis(4-methoxyphenyl)-9,9‧-spirobi[9H-fluorene]-2,2‧,7,7‧-tetramine (Spiro-OMeTAD), are commonly used as the hole transport materials in efficient perovskite solar cells, but the chemical synthetic procedure may increase the cost of the photovoltaic devices. On the other hand, inorganic hole transport materials, such as copper(I) thiocyanate (CuSCN) or copper(I) iodide (CuI), have potential for the manufacture of efficient and low-cost perovskite solar cells, but the performance of these devices is still imperfect. In this study, we demonstrate the use of an inorganic CuSCN and organic N,N‧-di(1-naphthyl)-N,N‧-diphenyl-(1,1‧-biphenyl)-4,4‧-diamine (NPB) hybrid bilayer as an alternative hole transport layer for planar CH3NH3PbI3 perovskite solar cells. The electronic behavior of the bilayer and the performance of the corresponding devices were discussed. As a result, the power conversion efficiency (PCE) for the best cells at AM1.5G illumination with a shadow mask was 12.3%.

  3. The electronic transport properties of defected bilayer sliding armchair graphene nanoribbons

    Science.gov (United States)

    Mohammadi, Amin; Haji-Nasiri, Saeed

    2018-04-01

    By applying non-equilibrium Green's functions (NEGF) in combination with tight-binding (TB) model, we investigate and compare the electronic transport properties of perfect and defected bilayer armchair graphene nanoribbons (BAGNRs) under finite bias. Two typical defects which are placed in the middle of top layer (i.e. single vacancy (SV) and stone wale (SW) defects) are examined. The results reveal that in both perfect and defected bilayers, the maximum current refers to β-AB, AA and α-AB stacking orders, respectively, since the intermolecular interactions are stronger in them. Moreover it is observed that a SV decreases the current in all stacking orders, but the effects of a SW defect is nearly unpredictable. Besides, we introduced a sequential switching behavior and the effects of defects on the switching performance is studied as well. We found that a SW defect can significantly improve the switching behavior of a bilayer system. Transmission spectrum, band structure, molecular energy spectrum and molecular projected self-consistent Hamiltonian (MPSH) are analyzed subsequently to understand the electronic transport properties of these bilayer devices which can be used in developing nano-scale bilayer systems.

  4. Properties of POPC/POPE supported lipid bilayers modified with hydrophobic quantum dots on polyelectrolyte cushions.

    Science.gov (United States)

    Kolasinska-Sojka, Marta; Wlodek, Magdalena; Szuwarzynski, Michal; Kereiche, Sami; Kovacik, Lubomir; Warszynski, Piotr

    2017-10-01

    The formation and properties of supported lipid bilayers (SLB) containing hydrophobic nanoparticles (NP) was studied in relation to underlying cushion obtained from selected polyelectrolyte multilayers. Lipid vesicles were formed from zwitterionic 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) and negatively charged 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) in phosphate buffer (PBS). As hydrophobic nanoparticles - quantum dots (QD) with size of 3.8nm (emission wavelength of 420nm) were used. Polyelectrolyte multilayers (PEM) were constructed by the sequential, i.e., layer-by-layer (LbL) adsorption of alternately charged polyelectrolytes from their solutions. Liposomes and Liposome-QDs complexes were studied with Transmission Cryo-Electron Microscopy (Cryo-TEM) to verify the quality of vesicles and the position of QD within lipid bilayer. Deposition of liposomes and liposomes with quantum dots on polyelectrolyte films was studied in situ using quartz crystal microbalance with dissipation (QCM-D) technique. The fluorescence emission spectra were analyzed for both: suspension of liposomes with nanoparticles and for supported lipid bilayers containing QD on PEM. It was demonstrated that quantum dots are located in the hydrophobic part of lipid bilayer. Moreover, we proved that such QD-modified liposomes formed supported lipid bilayers and their final structure depended on the type of underlying cushion. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Surface and grain boundary interdiffusion in nanometer-scale LSMO/BFO bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Virendra [Department of Physics, National Institute of Technology, Kurukshetra 136119 (India); Gaur, Anurag, E-mail: anuragdph@gmail.com [Department of Physics, National Institute of Technology, Kurukshetra 136119 (India); Choudhary, R.J.; Gupta, Mukul [UGC-DAE Consortium for Scientific Research, Indore 452 001 (India)

    2016-05-01

    Epitaxial 150 nm thick LSMO/BFO bilayer is deposited on STO (100) substrate by pulsed laser deposition, to study magnetoelectric effect. Unexpected low value of room temperature magnetization in bilayer indicates towards the possibility of interdiffusion. Further, sharp fall in the value of T{sub C} (53 K) also added our anxiety towards possible interdiffusion in BFO/LSMO system. Low-angle x-ray diffraction technique is used to investigate interdiffusion phenomena, and the temperature-dependent interdiffusivity is obtained by accurately monitoring the decay of the first-order modulation peak as a function of annealing time. It has been found that the diffusivity at different temperatures follows Arrhenius-type behavior. X-ray reflection (XRR) pattern obtained for the bilayer could not be fitted in the Parratt’s formalism, which confirms the interdiffusion in it. Depth profiles of {sup 209}Bi, {sup 56}Fe ions measured by secondary ion mass spectroscope (SIMS) further substantiate the diffusion of these ions from upper BFO layer into lower LSMO layer. - Highlights: • The LSMO/BFO bilayer is deposited by PLD method. • Structural, magnetic and interfacial properties of deposited films were studied. • In this article, we have raised the problem of interdiffusion in this bilayer, which can hinder its application in devices. Therefore, we feel that our article presents important finding in the area of ceramics research.

  6. Structure determination by photoelectron diffraction of small molecules on surfaces

    International Nuclear Information System (INIS)

    Booth, N.A.

    1998-05-01

    The synchrotron radiation based technique of Photoelectron Diffraction (PhD) has been applied to three adsorption systems. Structure determinations, are presented for each system which involve the adsorption of small molecules on the low index {110} plane of single crystal Cu and Ni substrates. For the NH 3 -Cu(110) system PhD was successful in determining a N-Cu bondlength of 2.05 ± 0.03 A as well as values for the anisotropic vibrational amplitudes of the N and an expansion of the 1st to 2nd Cu substrate layer spacing from the bulk value of 0.08 ± 0.08 A. The most significant and surprising structural parameter determined for this system was that the N atom occupies an asymmetric adsorption site. Rather than being situated in the expected high symmetry atop site the N atom was found to be offset parallel to the surface by 0.37 ± 0.12 A in the [001] azimuth. In studying the glycine-Cu(110) system the adsorption structure of an amino-acid has been quantified. The local adsorption geometries of all the atoms involved in the molecule to surface bond have been determined. The glycine molecule is found to be bonded to the surface via both its amino and carboxylate functional groups. The molecule straddles two [11-bar0] rows of the Cu substrate. The two O atoms are found to be in identical sites both approximately atop Cu atoms on the [11-bar0] rows offset parallel to the surface by 0.80 ± 0.05 A in the [001] azimuth, the O-Cu bondlength was found to be 2.03 ± 0.05 A. The N atom was also found to adsorb in an approximately atop geometry but offset parallel to the surface by 0.24 ± 0.10A in the [11-bar0] direction, the N-Cu bondlength was found to be 2.05± 0.05 A. PhD was unsuccessful in determining the positions of the two C atoms that form a bridge between the two functional groups bonded to the surface due to difficulties in separating the two inequivalent contributions to the final intensity modulation function. For the CN-Ni(110) system both PhD and Near Edge

  7. Bilayers at High pH in the Fatty Acid Soap Systems and the Applications for the Formation of Foams and Emulsions.

    Science.gov (United States)

    Xu, Wenlong; Zhang, Heng; Zhong, Yingping; Jiang, Liwen; Xu, Mengxin; Zhu, Xionglu; Hao, Jingcheng

    2015-08-20

    In our previous work, we reported bilayers at high pH in the stearic acid/CsOH/H2O system, which was against the traditional viewpoint that fatty acid (FA) bilayers must be formed at the pKa of the fatty acid. Herein, the microstructures at high pH of several fatty acid soap systems were investigated systematically. We found that palmitic acid/KOH/H2O, palmitic acid/CsOH/H2O, stearic acid/KOH/H2O, and stearic acid/CsOH/H2O systems can form bilayers at high pH. The bilayer structure was demonstrated by cryogenic transmission electron microscopy (cryo-TEM) and deuterium nuclear magnetic resonance ((2)H NMR), and molecular dynamics simulation was used to confirm the formation of bilayers. The influence of fatty acids with different chain lengths (n = 10, 12, 14, 16, and 18) and different counterions including Li(+), Na(+), K(+), Cs(+), (CH3)4N(+), (C2H5)4N(+), (C3H7)4N(+), and (C4H9)4N(+) on the formation of bilayers was discussed. The stability of foam and emulsification properties were compared between bilayers and micelles, drawing the conclusion that bilayer structures possess a much stronger ability to foam and stronger emulsification properties than micelles do.

  8. Phase transition behaviors of the supported DPPC bilayer investigated by sum frequency generation (SFG) vibrational spectroscopy and atomic force microscopy (AFM).

    Science.gov (United States)

    Wu, Heng-Liang; Tong, Yujin; Peng, Qiling; Li, Na; Ye, Shen

    2016-01-21

    The phase transition behaviors of a supported bilayer of dipalmitoylphosphatidyl-choline (DPPC) have been systematically evaluated by in situ sum frequency generation (SFG) vibrational spectroscopy and atomic force microscopy (AFM). By using an asymmetric bilayer composed of per-deuterated and per-protonated monolayers, i.e., DPPC-d75/DPPC and a symmetric bilayer of DPPC/DPPC, we were able to probe the molecular structural changes during the phase transition process of the lipid bilayer by SFG spectroscopy. It was found that the DPPC bilayer is sequentially melted from the top (adjacent to the solution) to bottom leaflet (adjacent to the substrate) over a wide temperature range. The conformational ordering of the supported bilayer does not decrease (even slightly increases) during the phase transition process. The conformational defects in the bilayer can be removed after the complete melting process. The phase transition enthalpy for the bottom leaflet was found to be approximately three times greater than that for the top leaflet, indicating a strong interaction of the lipids with the substrate. The present SFG and AFM observations revealed similar temperature dependent profiles. Based on these results, the temperature-induced structural changes in the supported lipid bilayer during its phase transition process are discussed in comparison with previous studies.

  9. Exchange anisotropy and micromagnetic properties of PtMn/NiFe bilayers

    International Nuclear Information System (INIS)

    Pokhil, Taras; Linville, Eric; Mao, Sining

    2001-01-01

    Magnetic microstructure, exchange induced uniaxial and unidirectional anisotropy and structural transformation have been studied in PtMn/NiFe bilayer films and small elements as a function of annealing time. The relationship between the fcc-fct ordering phase transformation in PtMn and the development of exchange induced magnetic properties in PtMn/NiFe bilayers is complicated by the fact that the transformation occurs throughout the entire volume of the PtMn film, while the exchange between the layers is predominantly an interface effect. Consequently, the development of the exchange anisotropy should depend primarily on the character of the structural transformation at the interface between PtMn and NiFe. The purpose of this article is to correlate the volume phase transformation in PtMn to the development of exchange anisotropy and micromagnetic behavior in PtMn/NiFe bilayers. The interface structure can be inferred from the anisotropy and micromagnetic measurements, leading to a model that explains the relationship between the volume and interface transformation structures in PtMn, and magnetic properties of the bilayers. The structure and magnetic properties were characterized by x-ray diffraction, vibrating sample magnetometry, and magnetic force microscopy. [copyright] 2001 American Institute of Physics

  10. In situ atomic force microscope imaging of supported lipid bilayers

    DEFF Research Database (Denmark)

    Kaasgaard, Thomas; Leidy, Chad; Ipsen, John Hjorth

    2001-01-01

    In situ AFM images of phospholipase A/sub 2/ (PLA/sub 2/) hydrolysis of mica-supported one- and two-component lipid bilayers are presented. For one-component DPPC bilayers an enhanced enzymatic activity is observed towards preexisting defects in the bilayer. Phase separation is observed in two-co...

  11. Porous Materials to Support Bilayer Lipid Membranes for Ion Channel Biosensors

    Directory of Open Access Journals (Sweden)

    Thai Phung

    2011-01-01

    Full Text Available To identify materials suitable as membrane supports for ion channel biosensors, six filter materials of varying hydrophobicity, tortuosity, and thickness were examined for their ability to support bilayer lipid membranes as determined by electrical impedance spectroscopy. Bilayers supported by hydrophobic materials (PTFE, polycarbonate, nylon, and silanised silver had optimal resistance (14–19 GΩ and capacitance (0.8–1.6 μF values whereas those with low hydrophobicity did not form BLMs (PVDF or were short-lived (unsilanised silver. The ability of ion channels to function in BLMs was assessed using a method recently reported to improve the efficiency of proteoliposome incorporation into PTFE-supported bilayers. Voltage-gated sodium channel activation by veratridine and inhibition by saxitoxin showed activity for PTFE, nylon, and silanised silver, but not polycarbonate. Bilayers on thicker, more tortuous, and hydrophobic materials produced higher current levels. Bilayers that self-assembled on PTFE filters were the longest lived and produced the most channel activity using this method.

  12. High power density thin film SOFCs with YSZ/GDC bilayer electrolyte

    International Nuclear Information System (INIS)

    Cho, Sungmee; Kim, YoungNam; Kim, Jung-Hyun; Manthiram, Arumugam; Wang Haiyan

    2011-01-01

    Graphical abstract: . A: Cross-sectional TEM images show a GDC single layer and YSZ/GDC bilayer electrolyte structures. As clearly observed from TEM images, the YSZ interlayer thickness varies from ∼330 nm to ∼1 μm. B: The cell with the bilayer electrolyte (YSZ ∼330 nm) doubles the overall power output at 750 deg. C compared to that achieved in the GDC single layer cell. Display Omitted Highlights: → YSZ/ GDC bilayer thin film electrolytes were deposited by a pulsed laser deposition (PLD) technique. → Thin YSZ film as a blocking layer effectively suppresses the cell voltage drop without reducing the ionic conductivity of the electrolyte layer. → The YSZ/ GDC bilayer structure presents a feasible architecture for enhancing the overall power density and enabling chemical, mechanical, and structural stability in the cells. - Abstract: Bilayer electrolytes composed of a gadolinium-doped CeO 2 (GDC) layer (∼6 μm thickness) and an yttria-stabilized ZrO 2 (YSZ) layer with various thicknesses (∼330 nm, ∼440 nm, and ∼1 μm) were deposited by a pulsed laser deposition (PLD) technique for thin film solid oxide fuel cells (TFSOFCs). The bilayer electrolytes were prepared between a NiO-YSZ (60:40 wt.% with 7.5 wt.% carbon) anode and La 0.5 Sr 0.5 CoO 3 -Ce 0.9 Gd 0.1 O 1.95 (50:50 wt.%) composite cathode for anode-supported single cells. Significantly enhanced maximum power density was achieved, i.e., a maximum power density of 188, 430, and 587 mW cm -2 was measured in a bilayer electrolyte single cell with ∼330 nm thin YSZ at 650, 700, and 750 deg. C, respectively. The cell with the bilayer electrolyte (YSZ ∼330 nm) doubles the overall power output at 750 deg. C compared to that achieved in the GDC single layer cell. This signifies that the YSZ thin film serves as a blocking layer for preventing electrical current leakage in the GDC layer and also provides chemical, mechanical, and structural integrity in the cell, which leads to the overall enhanced

  13. Electronic properties of BN-doped bilayer graphene and graphyne in the presence of electric field

    Science.gov (United States)

    Majidi, R.; Karami, A. R.

    2013-11-01

    In the present paper, we have used density functional theory to study electronic properties of bilayer graphene and graphyne doped with B and N impurities in the presence of electric field. It has been demonstrated that a band gap is opened in the band structures of the bilayer graphene and graphyne by B and N doping. We have also investigated influence of electric field on the electronic properties of BN-doped bilayer graphene and graphyne. It is found that the band gaps induced by B and N impurities are increased by applying electric field. Our results reveal that doping with B and N, and applying electric field are an effective method to open and control a band gap which is useful to design carbon-based next-generation electronic devices.

  14. Stacking change in MoS2 bilayers induced by interstitial Mo impurities.

    Science.gov (United States)

    Cortés, Natalia; Rosales, Luis; Orellana, Pedro A; Ayuela, Andrés; González, Jhon W

    2018-02-01

    We use a theoretical approach to reveal the electronic and structural properties of molybdenum impurities between MoS 2 bilayers. We find that interstitial Mo impurities are able to reverse the well-known stability order of the pristine bilayer, because the most stable form of stacking changes from AA' (undoped) into AB' (doped). The occurrence of Mo impurities in different positions shows their split electronic levels in the energy gap, following octahedral and tetrahedral crystal fields. The energy stability is related to the accommodation of Mo impurities compacted in hollow sites between layers. Other less stable configurations for Mo dopants have larger interlayer distances and band gaps than those for the most stable stacking. Our findings suggest possible applications such as exciton trapping in layers around impurities, and the control of bilayer stacking by Mo impurities in the growth process.

  15. Finite element modeling of camber evolution during sintering of bi-layers

    DEFF Research Database (Denmark)

    Tadesse Molla, Tesfaye; Ni, De Wei; Bulatova, Regina

    2014-01-01

    The need for understanding the mechanisms and optimization of shape distortions during sintering of bilayers is necessary while producing structures with functionally graded architectures. A finite element model based on the continuum theory of sintering was developed to understand the camber...... developments during sintering of bilayers composed of La0.85Sr0.15MnO3 and Ce0.9Gd0.1O1.95 tapes. Free shrinkage kinetics of both tapes were used to estimate the parameters necessary for the finite element models. Systematic investigations of the factors affecting the kinetics of distortions such as gravity...... and friction as well as the initial geometric parameters of the bilayers were made using optical dilatometry experiments and the model. The developed models were able to capture the observed behaviors of the bilayers’ distortions during sintering. Finally, we present the importance of understanding and hence...

  16. New optical method for measuring the bending elasticity of lipid bilayers

    International Nuclear Information System (INIS)

    Minetti, C; Dubois, F; Vitkova, V; Bivas, I

    2016-01-01

    The knowledge of the elasticity of lipid bilayer structures is fundamental for new developments in biophysics, pharmacology and biomedical research. Lipid vesicles are readily prepared in laboratory conditions and employed for studying the physical properties of lipid membranes. The thermal fluctuation analysis of the shape of lipid vesicles (or flicker spectroscopy) is one of the experimental methods widely used for the measurement of the bending modulus of lipid bilayers. We present direct phase measurements performed on dilute vesicular suspensions by means of a new optical method exploiting holographic microscopy. For the bending constant of phosphatidylcholine bilayers we report the value of 23k B T in agreement with values previously measured by micropipette aspiration, electrodeformation and flicker spectroscopy of giant lipid vesicles. The application of this novel approach for the evaluation of the bending elasticity of lipid membranes opens the way to future developments in the phase measurements on lipid vesicles for the evaluation of their mechanical constants. (paper)

  17. Transfer matrix theory of monolayer graphene/bilayer graphene heterostructure superlattice

    International Nuclear Information System (INIS)

    Wang, Yu

    2014-01-01

    We have formulated a transfer matrix method to investigate electronic properties of graphene heterostructure consisting of monolayer graphene and bilayer counterpart. By evaluating transmission, conductance, and band dispersion, we show that, irrespective of the different carrier chiralities in monolayer graphene and bilayer graphene, superlattice consisting of biased bilayer graphene barrier and monolayer graphene well can mimic the electronic properties of conventional semiconductor superlattice, displaying the extended subbands in the quantum tunneling regime and producing anisotropic minigaps for the classically allowed transport. Due to the lateral confinement, the lowest mode has shifted away from the charge neutral point of monolayer graphene component, opening a sizeable gap in concerned structure. Following the gate-field and geometry modulation, all electronic states and gaps between them can be externally engineered in an electric-controllable strategy.

  18. Lipid-bilayer-assisted two-dimensional self-assembly of DNA origami nanostructures

    Science.gov (United States)

    Suzuki, Yuki; Endo, Masayuki; Sugiyama, Hiroshi

    2015-08-01

    Self-assembly is a ubiquitous approach to the design and fabrication of novel supermolecular architectures. Here we report a strategy termed `lipid-bilayer-assisted self-assembly' that is used to assemble DNA origami nanostructures into two-dimensional lattices. DNA origami structures are electrostatically adsorbed onto a mica-supported zwitterionic lipid bilayer in the presence of divalent cations. We demonstrate that the bilayer-adsorbed origami units are mobile on the surface and self-assembled into large micrometre-sized lattices in their lateral dimensions. Using high-speed atomic force microscopy imaging, a variety of dynamic processes involved in the formation of the lattice, such as fusion, reorganization and defect filling, are successfully visualized. The surface modifiability of the assembled lattice is also demonstrated by in situ decoration with streptavidin molecules. Our approach provides a new strategy for preparing versatile scaffolds for nanofabrication and paves the way for organizing functional nanodevices in a micrometer space.

  19. Production, purification, crystallization and structure determination of H-1 Parvovirus

    International Nuclear Information System (INIS)

    Halder, Sujata; Nam, Hyun-Joo; Govindasamy, Lakshmanan; Vogel, Michèle; Dinsart, Christiane; Salomé, Nathalie; McKenna, Robert; Agbandje-McKenna, Mavis

    2012-01-01

    The production, purification, crystallization and crystallographic analysis of H-1 Parvovirus, a gene-therapy vector, are reported. Crystals of H-1 Parvovirus (H-1PV), an antitumor gene-delivery vector, were obtained for DNA-containing capsids and diffracted X-rays to 2.7 Å resolution using synchrotron radiation. The crystals belonged to the monoclinic space group P2 1 , with unit-cell parameters a = 255.4, b = 350.4, c = 271.6 Å, β = 90.34°. The unit cell contained two capsids, with one capsid per crystallographic asymmetric unit. The H-1PV structure has been determined by molecular replacement and is currently being refined

  20. P-type Cu2O/SnO bilayer thin film transistors processed at low temperatures

    KAUST Repository

    Al-Jawhari, Hala A.

    2013-10-09

    P-type Cu2O/SnO bilayer thin film transistors (TFTs) with tunable performance were fabricated using room temperature sputtered copper and tin oxides. Using Cu2O film as capping layer on top of a SnO film to control its stoichiometry, we have optimized the performance of the resulting bilayer transistor. A transistor with 10 nm/15 nm Cu2O to SnO thickness ratio (25 nm total thickness) showed the best performance using a maximum process temperature of 170 C. The bilayer transistor exhibited p-type behavior with field-effect mobility, on-to-off current ratio, and threshold voltage of 0.66 cm2 V-1 s-1, 1.5×10 2, and -5.2 V, respectively. The advantages of the bilayer structure relative to single layer transistor are discussed. © 2013 American Chemical Society.

  1. Structure of HIV-1 protease determined by neutron crystallography

    International Nuclear Information System (INIS)

    Adachi, Motoyasu; Kuroki, Ryota

    2009-01-01

    HIV-1 protease is an aspartic protease, and plays an essential role in replication of HIV. To develop HIV-1 protease inhibitors through structure-based drug design, it is necessary to understand the catalytic mechanism and inhibitor recognition of HIV-1 protease. We have determined the crystal structure of HIV-1 protease in complex with KNI-272 to 1.9 A resolution by neutron crystallography in combination with 1.4 A resolution X-ray diffraction data. The results show that the carbonyl group of hydroxymethylcarbonyl (HMC) in KNI-272 forms a hydrogen bonding interaction with protonated Asp 25 and the hydrogen atom from the hydroxyl group of HMC forms a hydrogen bonding interaction with the deprotonated Asp125. This is the first neutron report for HIV-1/inhibitor complex and shows directly the locations of key hydrogen atoms in catalysis and in the binding of a transition-state analog. The results confirm key aspect of the presumed catalytic mechanism of HIV-1 protease and will aid in the further development of protease inhibitors. (author)

  2. Determination of subsurface geological structure with borehole gravimetry

    International Nuclear Information System (INIS)

    Clark, S.R.; Hearst, J.R.

    1983-07-01

    Conventional gamma-gamma and gravimetric density measurements are routinely gathered for most holes used for underground nuclear tests. The logs serve to determine the subsurface structural geology near the borehole. The gamma-gamma density log measures density of the rock within about 15 cm of the borehole wall. The difference in gravity measured at two depths in a borehole can be interpreted in terms of the density of an infinite, homogeneous, horizontal bed between those depths. When the gravimetric density matches the gamma-gamma density over a given interval it is assumed that the bed actualy exists, and that rocks far from the hole must be the same as those encountered adjacent to the borehole. Conversely, when the gravimetric density differs from the gamma-gamma density it is apparent that the gravimeter is being influenced by a rock mass of different density than that at the hole wall. This mismatch can be a powerful tool to deduce the local structural geology. The geology deduced from gravity mesurements in emplacement hole, U4al, and the associated exploratory hole, UE4al, is an excellent example of the power of the method

  3. Determination of scattering structures from spatial coherence measurements.

    Science.gov (United States)

    Zarubin, A M

    1996-03-01

    A new method of structure determination and microscopic imaging with short-wavelength radiations (charged particles, X-rays, neutrons), based on measurements of the modulus and the phase of the degree of spatial coherence of the scattered radiation, is developed. The underlying principle of the method--transfer of structural information about the scattering potential via spatial coherence of the secondary (scattering) source of radiation formed by this potential--is expressed by the generalization of the van Cittert-Zernike theorem to wave and particle scattering [A.M. Zarubin, Opt. Commun. 100 (1993) 491; Opt. Commun. 102 (1993) 543]. Shearing interferometric techniques are proposed for implementing the above measurements; the limits of spatial resolution attainable by reconstruction of the absolute square of a 3D scattering potential and its 2D projections from the measurements are analyzed. It is shown theoretically that 3D imaging with atomic resolution can be realized in a "synthetic aperture" electron or ion microscope and that a 3D resolution of about 6 nm can be obtained with a "synthetic aperture" X-ray microscope. A proof-of-principle optical experiment is presented.

  4. A Determination of the Neutron Spin Structure Function

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, Emlyn W

    2003-08-18

    The authors report the results of the experiment E142 which measured the spin dependent structure function of the neutron, g{sub 1}{sup n}(x, Q{sup 2}). The experiment was carried out at the Stanford Linear Accelerator Center by measuring an asymmetry in the deep inelastic scattering of polarized electrons from a polarized {sup 3}He target, at electron energies from 19 to 26 GeV. The structure function was determined over the kinematic range 0.03 < BJorken x < 0.6 and 1.0 < Q{sup 2} < 5.5 (GeV/c){sup 2}. An evaluation of the integral {integral}{sub 0}{sup 1} g{sub 1}{sup n}(x,Q{sup 2})dx at fixed Q{sup 2} = 2 (GeV/c){sup 2} yields the final result {Lambda}{sub 1}{sup n} = -0.032 {+-} 0.006 (stat.) {+-} 0.009 (syst.). This result, when combined with the integral of the proton spin structure function measured in other experiments, confirms the fundamental Bjorken sum rule with O({alpha}{sub s}{sup 3}) corrections to within one standard deviation. This is a major success for perturbative Quantum Chromodynamics. Some ancillary results include the findings that the Ellis-Jaffe sum rule for the neutron is violated at the 2 {sigma} level, and that the total contribution of the quarks to the helicity of the nucleon is 0.36 {+-} 0.10. The strange sea polarization is estimated to be small and negative, {Delta}s = -0.07 {+-} 0.04.

  5. The longitudinal optical conductivity in bilayer graphene and other two-dimensional systems

    Energy Technology Data Exchange (ETDEWEB)

    Yang, C.H., E-mail: chyang@nuist.edu.cn [School of Physics and Optoelectronic Engineering, Nanjing University of Information Science and Technology, Nanjing 210044 (China); Ao, Z.M., E-mail: zhimin.ao@uts.edu.au [Centre for Clean Energy Technology, School of Chemistry and Forensic Science, University of Technology, Sydney ,PO Box 123, Broadway, Sydney, NSW 2007 (Australia); Wei, X.F. [West Anhui University, Luan 237012 (China); Jiang, J.J. [Department of Physics, Sanjing College, Nanjing 210012 (China)

    2015-01-15

    The longitudinal optical conductivity in bilayer graphene is calculated using the dielectric function by defining the density operator theoretically, while the effect of the broadening width determined by the scattering sources on the optical conductivity is also investigated. Some features, such as chirality, energy dispersion and density of state (DOS) in bilayer graphene, are similar to those in monolayer graphene and a traditional two-dimensional electron gas (2DEG). Therefore, in this paper, the bilayer graphene optical conductivity is compared with the results in these two systems. The analytical and numerical results show that the optical conductivity per graphene layer is almost a constant and close to e{sup 2}/(4ℏ), which agrees with the experimental results.

  6. Spin-orbit torque opposing the Oersted torque in ultrathin Co/Pt bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Skinner, T. D., E-mail: tds32@cam.ac.uk; Irvine, A. C.; Heiss, D.; Kurebayashi, H.; Ferguson, A. J., E-mail: ajf1006@cam.ac.uk [Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE (United Kingdom); Wang, M.; Hindmarch, A. T.; Rushforth, A. W. [School of Physics and Astronomy, University of Nottingham, Nottingham NG7 2RD (United Kingdom)

    2014-02-10

    Current-induced torques in ultrathin Co/Pt bilayers were investigated using an electrically driven ferromagnetic resonance technique. The angle dependence of the resonances, detected by a rectification effect as a voltage, was analysed to determine the symmetries and relative magnitudes of the spin-orbit torques. Both anti-damping (Slonczewski) and field-like torques were observed. As the ferromagnet thickness was reduced from 3 to 1 nm, the sign of the sum of the field-like torque and Oersted torque reversed. This observation is consistent with the emergence of a Rashba spin orbit torque in ultra-thin bilayers.

  7. Prestresses in bilayered all-ceramic restorations.

    Science.gov (United States)

    Aboushelib, Moustafa N; Feilzer, Albert J; de Jager, Niek; Kleverlaan, Cornelis J

    2008-10-01

    A general trend in all ceramic systems is to use veneering ceramics of slightly lower thermal expansion coefficients compared with that of the framework resulting in a positive mismatch in thermal expansion coefficient (+DeltaTEC). The concept behind this TEC mismatch is to generate compressive stresses in the weaker veneering ceramic and thus enhance the overall strength of the restoration. This technique had excellent results with porcelain fused to metal restorations (PFM). However, there are concerns to apply this concept to all-ceramic restorations. The aim of this research was to determine the stresses in bilayered all-ceramic restorations due to the mismatch in TEC. Two commercial veneering ceramics with a TEC lower than that of zirconia (+DeltaTEC); NobelRondo zirconiatrade mark and Lava Ceramtrade mark, plus one experimental veneering ceramic with an identical TEC that matches that of zirconia (DeltaTEC = 0) were used to veneer zirconia discs. The specimens were loaded in biaxial flexure test setup with the veneer ceramic in tension. The stresses due to load application and TEC mismatch were calculated using fractography, engineering mathematics, and finite element analysis (FEA). In this study, the highest load at failure (64 N) was obtained with the experimental veneer where the thermal mismatch between zirconia and veneering ceramic was minimal. For the two commercial veneer ceramics the magnitude of the thermal mismatch localized at the zirconia veneer interface (42 MPa) exceeded the bond strength between the two materials and resulted in delamination failure during testing (ca. 50 MPa). For all-ceramic zirconia veneered restorations it is recommended to minimize the thermal mismatch as much as possible. (c) 2008 Wiley Periodicals, Inc.

  8. Quantitative optical microscopy and micromanipulation studies on the lipid bilayer membranes of giant unilamellar vesicles

    DEFF Research Database (Denmark)

    Bagatolli, Luis; Needham, David

    2014-01-01

    to study composition-structure-property materials relationships of free-standing lipid bilayer membranes. Because their size (~5 to 100 m diameter) that is well above the resolution limit of regular light microscopes, GUVs are suitable membrane models for optical microscopy and micromanipulation...

  9. Stability of monolayers and bilayers in a copolymer-homopolymer blend model

    NARCIS (Netherlands)

    Gennip, van Y.; Peletier, M.A.

    2007-01-01

    We study the stability of layered structures in a variational model for diblock copolymer- homopolymer blends. The main step consists of calculating the first and second derivative of a sharp-interface Ohta-Kawasaki energy for straight mono- and bilayers. By developing the interface perturbations in

  10. Electronic properties of graphene-based bilayer systems

    Energy Technology Data Exchange (ETDEWEB)

    Rozhkov, A.V., E-mail: arozhkov@gmail.com [CEMS, RIKEN, Saitama 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, 141700 (Russian Federation); Sboychakov, A.O. [CEMS, RIKEN, Saitama 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Rakhmanov, A.L. [CEMS, RIKEN, Saitama 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, 141700 (Russian Federation); All-Russia Research Institute of Automatics, Moscow, 127055 (Russian Federation); Nori, Franco, E-mail: fnori@riken.jp [CEMS, RIKEN, Saitama 351-0198 (Japan); Physics Department, The University of Michigan, Ann Arbor, MI 48109-1040 (United States)

    2016-08-23

    This article reviews the theoretical and experimental work related to the electronic properties of bilayer graphene systems. Three types of bilayer stackings are discussed: the AA, AB, and twisted bilayer graphene. This review covers single-electron properties, effects of static electric and magnetic fields, bilayer-based mesoscopic systems, spin–orbit coupling, dc transport and optical response, as well as spontaneous symmetry violation and other interaction effects. The selection of the material aims to introduce the reader to the most commonly studied topics of theoretical and experimental research in bilayer graphene.

  11. Condensation energy of the superconducting bilayer cuprates

    Indian Academy of Sciences (India)

    cuprates also depends on the number of CuO2 layers per unit cell and the extent of doping. In a bilayer or ... unit cell is smaller than the adjacent layers in a single layer system; therefore it is natural to include interlayer .... energy conservation principle, the change in the kinetic energy of the electrons in the out- of-plane ...

  12. Localized plasmons in bilayer graphene nanodisks

    DEFF Research Database (Denmark)

    Wang, Weihua; Xiao, Sanshui; Mortensen, N. Asger

    2016-01-01

    We study localized plasmonic excitations in bilayer graphene (BLG) nanodisks, comparing AA-stacked and AB-stacked BLG and contrasting the results to the case of two monolayers without electronic hybridization. The electrodynamic response of the BLG electron gas is described in terms of a spatially...

  13. Electronic properties of a biased graphene bilayer

    International Nuclear Information System (INIS)

    Castro, Eduardo V; Lopes dos Santos, J M B; Novoselov, K S; Morozov, S V; Geim, A K; Peres, N M R; Nilsson, Johan; Castro Neto, A H; Guinea, F

    2010-01-01

    We study, within the tight-binding approximation, the electronic properties of a graphene bilayer in the presence of an external electric field applied perpendicular to the system-a biased bilayer. The effect of the perpendicular electric field is included through a parallel plate capacitor model, with screening correction at the Hartree level. The full tight-binding description is compared with its four-band and two-band continuum approximations, and the four-band model is shown to always be a suitable approximation for the conditions realized in experiments. The model is applied to real biased bilayer devices, made out of either SiC or exfoliated graphene, and good agreement with experimental results is found, indicating that the model is capturing the key ingredients, and that a finite gap is effectively being controlled externally. Analysis of experimental results regarding the electrical noise and cyclotron resonance further suggests that the model can be seen as a good starting point for understanding the electronic properties of graphene bilayer. Also, we study the effect of electron-hole asymmetry terms, such as the second-nearest-neighbour hopping energies t' (in-plane) and γ 4 (inter-layer), and the on-site energy Δ.

  14. Nonmonotonic critical temperature in superconductor ferromagnet bilayers

    NARCIS (Netherlands)

    Fominov, Ya. V.; Fominov, I.V.; Chtchelkatchev, N.M.; Golubov, Alexandre Avraamovitch

    2002-01-01

    The critical temperature Tc of a superconductor/ferromagnet (SF) bilayer can exhibit nonmonotonic dependence on the thickness df of the F layer. SF systems have been studied for a long time; according to the experimental situation, a ¿dirty¿ limit is often considered which implies that the mean free

  15. INTERLAYER OPTICAL CONDUCTIVITY OF A SUPERCONDUCTING BILAYER

    NARCIS (Netherlands)

    GARTSTEIN, YN; RICE, MJ; VANDERMAREL, D

    1994-01-01

    We employ the Bardeen-Cooper-Schrieffer theory to calculate the frequency-dependent interlayer conductivity of a superconducting bilayer, the two layers of which are coupled by weak single-particle tunneling. The effect of the superconducting transition on the normal-state absorption band is to

  16. Effects of carotenoids on lipid bilayers.

    Science.gov (United States)

    Johnson, Quentin R; Mostofian, Barmak; Fuente Gomez, Gabriel; Smith, Jeremy C; Cheng, Xiaolin

    2018-01-31

    Carotenoids have been found to be important in improving the integrity of biomembranes in eukaryotes. However, the molecular details of how carotenoids modulate the physical properties of biomembranes are unknown. To this end, we have conducted a series of molecular dynamics simulations of different biologically-relevant membranes in the presence of carotenoids. The carotenoid effect on the membrane was found to be specific to the identity of the carotenoid and the composition of the membrane itself. Therefore, different classes of carotenoids produce a different effect on the membrane, and different membrane phases are affected differently by carotenoids. It is apparent from our data that carotenoids do trigger the bilayer to become thinner. The mechanism by which this occurs depends on two competing factors, the ability of the lipid tails of opposing monolayers to either (1) compress or (2) interdigitate as the bilayer condenses. Indeed, carotenoids directly influence the physical properties via these two mechanisms, thus compacting the bilayer. However, the degree to which these competing mechanisms are utilized depends on the bilayer phase and the carotenoid identity.

  17. Spectral properties of excitons in the bilayer graphene

    Science.gov (United States)

    Apinyan, V.; Kopeć, T. K.

    2018-01-01

    In this paper, we consider the spectral properties of the bilayer graphene with the local excitonic pairing interaction between the electrons and holes. We consider the generalized Hubbard model, which includes both intralayer and interlayer Coulomb interaction parameters. The solution of the excitonic gap parameter is used to calculate the electronic band structure, single-particle spectral functions, the hybridization gap, and the excitonic coherence length in the bilayer graphene. We show that the local interlayer Coulomb interaction is responsible for the semimetal-semiconductor transition in the double layer system, and we calculate the hybridization gap in the band structure above the critical interaction value. The formation of the excitonic band gap is reported as the threshold process and the momentum distribution functions have been calculated numerically. We show that in the weak coupling limit the system is governed by the Bardeen-Cooper-Schrieffer (BCS)-like pairing state. Contrary, in the strong coupling limit the excitonic condensate states appear in the semiconducting phase, by forming the Dirac's pockets in the reciprocal space.

  18. NMR study of the interactions of polymyxin B, gramicidin S, and valinomycin with dimyristoyllecithin bilayers

    International Nuclear Information System (INIS)

    Zidovetzki, R.; Banerjee, U.; Harrington, D.W.; Chan, S.I.

    1988-01-01

    The interactions of three polypeptide antibiotics (polymyxin B, gramicidin S, and valinomycin) with artificial lecithin membranes were studied by nuclear magnetic resonance (NMR). Combination of 31 P and 2 H NMR allowed observation of perturbations of the bilayer membrane structure induced by each of the antibiotics in the regions of the polar headgroups and acyl side chains of the phospholipids. The comparative study of the effects of these membrane-active antibiotics and the lipid bilayer structure demonstrated distinct types of antibiotic-membrane interactions in each case. Thus, the results showed the absence of interaction of polymyxin B with the dimyristoyllecithin membranes. In contrast, gramicidin S exhibited strong interaction with the lipid above the gel to liquid-crystalline phase transition temperature: disordering of the acyl side chains was evident. Increasing the concentration of gramicidin S led to disintegration of the bilayer membrane structure. At a molar ratio of 1:16 of gramicidin S to lecithin, the results are consistent with coexistence of gel and liquid-crystalline phases of the phospholipids near the phase transition temperature. Valinomycin decreased the phase transition temperature of the lipids and increased the order parameters of the lipid side chains. Such behavior is consistent with penetration of the valinomycin molecule into the interior of the lipid bilayers

  19. Structural Determinants of Autoproteolysis of the Haemophilus influenzae Hap Autotransporter▿

    Science.gov (United States)

    Kenjale, Roma; Meng, Guoyu; Fink, Doran L.; Juehne, Twyla; Ohashi, Tomoo; Erickson, Harold P.; Waksman, Gabriel; St. Geme, Joseph W.

    2009-01-01

    Haemophilus influenzae is a gram-negative bacterium that initiates infection by colonizing the upper respiratory tract. The H. influenzae Hap autotransporter protein mediates adherence, invasion, and microcolony formation in assays with respiratory epithelial cells and presumably facilitates colonization. The serine protease activity of Hap is associated with autoproteolytic cleavage and extracellular release of the HapS passenger domain, leaving the Hapβ C-terminal domain embedded in the outer membrane. Cleavage occurs most efficiently at the LN1036-37 peptide bond and to a lesser extent at three other sites. In this study, we utilized site-directed mutagenesis, homology modeling, and assays with a peptide library to characterize the structural determinants of Hap proteolytic activity and cleavage specificity. In addition, we used homology modeling to predict the S1, S2, and S4 subsite residues of the Hap substrate groove. Our results indicate that the P1 and P2 positions at the Hap cleavage sites are critical for cleavage, with leucine preferred over larger hydrophobic residues or other amino acids in these positions. The substrate groove is formed by L263 and N274 at the S1 subsite, R264 at the S2 subsite, and E265 at the S4 subsite. This information may facilitate design of approaches to block Hap activity and interfere with H. influenzae colonization. PMID:19687208

  20. The influence of interface on spin pumping effect in Ni80Fe20 /Tb bilayer

    Directory of Open Access Journals (Sweden)

    Jinjin Yue

    2016-05-01

    Full Text Available Focusing on the interface effect of the Ni80Fe20 (Py/terbium (Tb bilayer, the influence of interface on the magnetization dynamic damping is investigated systematically. Two series of Py (12 nm/Tb (d nm films with and without copper (Cu (1 nm interlayer are deposited on silicon (Si substrates by DC magnetron sputtering at room temperature. From vibrating sample magnetometer (VSM measurements, the saturation magnetization (Ms decreases with increasing Tb thickness in Py/Tb bilayer while the decrease of Ms is suppressed efficiently by inserting a Cu layer with even 1 nm of thickness. From the frequency dependence of ferromagnetic resonance (FMR linewidth, we can obtain the Gilbert damping coefficient (α, α is found to exhibit an extreme enhancement in comparison to the single Py layer and shows an increasing trend with increasing Tb thickness. By inserting the Cu layer, α decreases significantly. From theoretical fitting, the spin diffusion length (λSD and spin mixing conductance (g↑↓ are determined. It shows that the interface structure influences the spin mixing conductance but not the spin diffusion length.

  1. Enhanced Optical and Electrical Properties of TiO_2 Buffered IGZO/TiO_2 Bi-Layered Films

    International Nuclear Information System (INIS)

    Moon, Hyun-Joo; Kim, Daeil

    2016-01-01

    In and Ga doped ZnO (IGZO, 100-nm thick) thin films were deposited by radio frequency magnetron sputtering without intentional substrate heating on a bare glass substrate and a TiO_2-deposited glass substrate to determine the effect of the thickness of a thin TiO_2 buffer layer on the structural, optical, and electrical properties of the films. The thicknesses of the TiO_2 buffer layers were 5, 10 and 15 nm, respectively. As-deposited IGZO films with a 10 nm-thick TiO_2 buffer layer had an average optical transmittance of 85.0% with lower resistivity (1.83×10-2 Ω cm) than that of IGZO single layer films. The figure of merit (FOM) reached a maximum of 1.44×10-4 Ω-1 for IGZO/10 nm-thick TiO_2 bi-layered films, which is higher than the FOM of 6.85×10-5 Ω-1 for IGZO single layer films. Because a higher FOM value indicates better quality transparent conducting oxide (TCO) films, the IGZO/10 nm-thick TiO_2 bi-layered films are likely to perform better in TCO applications than IGZO single layer films.

  2. Corrosion resistance of sintered NdFeB coated with SiC/Al bilayer thin films by magnetron sputtering

    International Nuclear Information System (INIS)

    Huang, Yiqin; Li, Heqin; Zuo, Min; Tao, Lei; Wang, Wei; Zhang, Jing; Tang, Qiong; Bai, Peiwen

    2016-01-01

    The poor corrosion resistance of sintered NdFeB imposes a great challenge in industrial applications. In this work, the SiC/Al bilayer thin films with the thickness of 510 nm were deposited on sintered NdFeB by magnetron sputtering to improve the corrosion resistance. A 100 nm Al buffer film was used to reduce the internal stress between SiC and NdFeB and improve the surface roughness of the SiC thin film. The morphologies and structures of SiC/Al bilayer thin films and SiC monolayer film were investigated with FESEM, AFM and X-ray diffraction. The corrosion behaviors of sintered NdFeB coated with SiC monolayer film and SiC/Al bilayer thin films were analyzed by polarization curves. The magnetic properties were measured with an ultra-high coercivity permanent magnet pulse tester. The results show that the surface of SiC/Al bilayer thin films is more compact and uniform than that of SiC monolayer film. The corrosion current densities of SiC/Al bilayer films coated on NdFeB in acid, alkali and salt solutions are much lower than that of SiC monolayer film. The SiC/Al bilayer thin films have little influence to the magnetic properties of NdFeB. - Highlights: • The same thick Al, SiC and SiC/Al films are deposited on NdFeB by magnetron sputtering. • 510 nm SiC/Al bilayer films can improve the corrosion resistance of the NdFeB evidently. • Al buffer layer improves effectively the surface roughness of the SiC thin film. • SiC/Al bilayer films do not deteriorate the magnetic properties of NdFeB.

  3. Corrosion resistance of sintered NdFeB coated with SiC/Al bilayer thin films by magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yiqin [School of Materials Science and Engineering, Hefei University of Technology, Hefei 230009 (China); Li, Heqin, E-mail: lhqjs@hfut.edu.cn [School of Materials Science and Engineering, Hefei University of Technology, Hefei 230009 (China); Zuo, Min; Tao, Lei; Wang, Wei [School of Materials Science and Engineering, Hefei University of Technology, Hefei 230009 (China); Zhang, Jing; Tang, Qiong [School of Materials Science and Engineering, Hefei University of Technology, Hefei 230009 (China); School of Electronic Science and Applied Physics, Hefei University of Technology, Hefei 230009 (China); Bai, Peiwen [School of Materials Science and Engineering, Hefei University of Technology, Hefei 230009 (China)

    2016-07-01

    The poor corrosion resistance of sintered NdFeB imposes a great challenge in industrial applications. In this work, the SiC/Al bilayer thin films with the thickness of 510 nm were deposited on sintered NdFeB by magnetron sputtering to improve the corrosion resistance. A 100 nm Al buffer film was used to reduce the internal stress between SiC and NdFeB and improve the surface roughness of the SiC thin film. The morphologies and structures of SiC/Al bilayer thin films and SiC monolayer film were investigated with FESEM, AFM and X-ray diffraction. The corrosion behaviors of sintered NdFeB coated with SiC monolayer film and SiC/Al bilayer thin films were analyzed by polarization curves. The magnetic properties were measured with an ultra-high coercivity permanent magnet pulse tester. The results show that the surface of SiC/Al bilayer thin films is more compact and uniform than that of SiC monolayer film. The corrosion current densities of SiC/Al bilayer films coated on NdFeB in acid, alkali and salt solutions are much lower than that of SiC monolayer film. The SiC/Al bilayer thin films have little influence to the magnetic properties of NdFeB. - Highlights: • The same thick Al, SiC and SiC/Al films are deposited on NdFeB by magnetron sputtering. • 510 nm SiC/Al bilayer films can improve the corrosion resistance of the NdFeB evidently. • Al buffer layer improves effectively the surface roughness of the SiC thin film. • SiC/Al bilayer films do not deteriorate the magnetic properties of NdFeB.

  4. Tailored sequential drug release from bilayered calcium sulfate composites

    International Nuclear Information System (INIS)

    Orellana, Bryan R.; Puleo, David A.

    2014-01-01

    The current standard for treating infected bony defects, such as those caused by periodontal disease, requires multiple time-consuming steps and often multiple procedures to fight the infection and recover lost tissue. Releasing an antibiotic followed by an osteogenic agent from a synthetic bone graft substitute could allow for a streamlined treatment, reducing the need for multiple surgeries and thereby shortening recovery time. Tailorable bilayered calcium sulfate (CS) bone graft substitutes were developed with the ability to sequentially release multiple therapeutic agents. Bilayered composite samples having a shell and core geometry were fabricated with varying amounts (1 or 10 wt.%) of metronidazole-loaded poly(lactic-co-glycolic acid) (PLGA) particles embedded in the shell and simvastatin directly loaded into either the shell, core, or both. Microcomputed tomography showed the overall layered geometry as well as the uniform distribution of PLGA within the shells. Dissolution studies demonstrated that the amount of PLGA particles (i.e., 1 vs. 10 wt.%) had a small but significant effect on the erosion rate (3% vs. 3.4%/d). Mechanical testing determined that introducing a layered geometry had a significant effect on the compressive strength, with an average reduction of 35%, but properties were comparable to those of mandibular trabecular bone. Sustained release of simvastatin directly loaded into CS demonstrated that changing the shell to core volume ratio dictates the duration of drug release from each layer. When loaded together in the shell or in separate layers, sequential release of metronidazole and simvastatin was achieved. By introducing a tunable, layered geometry capable of releasing multiple drugs, CS-based bone graft substitutes could be tailored in order to help streamline the multiple steps needed to regenerate tissue in infected defects. - Highlights: • Bilayered CS composites were fabricated as potential bone graft substitutes. • The shell

  5. Tailored sequential drug release from bilayered calcium sulfate composites

    Energy Technology Data Exchange (ETDEWEB)

    Orellana, Bryan R.; Puleo, David A., E-mail: puleo@uky.edu

    2014-10-01

    The current standard for treating infected bony defects, such as those caused by periodontal disease, requires multiple time-consuming steps and often multiple procedures to fight the infection and recover lost tissue. Releasing an antibiotic followed by an osteogenic agent from a synthetic bone graft substitute could allow for a streamlined treatment, reducing the need for multiple surgeries and thereby shortening recovery time. Tailorable bilayered calcium sulfate (CS) bone graft substitutes were developed with the ability to sequentially release multiple therapeutic agents. Bilayered composite samples having a shell and core geometry were fabricated with varying amounts (1 or 10 wt.%) of metronidazole-loaded poly(lactic-co-glycolic acid) (PLGA) particles embedded in the shell and simvastatin directly loaded into either the shell, core, or both. Microcomputed tomography showed the overall layered geometry as well as the uniform distribution of PLGA within the shells. Dissolution studies demonstrated that the amount of PLGA particles (i.e., 1 vs. 10 wt.%) had a small but significant effect on the erosion rate (3% vs. 3.4%/d). Mechanical testing determined that introducing a layered geometry had a significant effect on the compressive strength, with an average reduction of 35%, but properties were comparable to those of mandibular trabecular bone. Sustained release of simvastatin directly loaded into CS demonstrated that changing the shell to core volume ratio dictates the duration of drug release from each layer. When loaded together in the shell or in separate layers, sequential release of metronidazole and simvastatin was achieved. By introducing a tunable, layered geometry capable of releasing multiple drugs, CS-based bone graft substitutes could be tailored in order to help streamline the multiple steps needed to regenerate tissue in infected defects. - Highlights: • Bilayered CS composites were fabricated as potential bone graft substitutes. • The shell

  6. Corrosion resistance of sintered NdFeB coated with SiC/Al bilayer thin films by magnetron sputtering

    Science.gov (United States)

    Huang, Yiqin; Li, Heqin; Zuo, Min; Tao, Lei; Wang, Wei; Zhang, Jing; Tang, Qiong; Bai, Peiwen

    2016-07-01

    The poor corrosion resistance of sintered NdFeB imposes a great challenge in industrial applications. In this work, the SiC/Al bilayer thin films with the thickness of 510 nm were deposited on sintered NdFeB by magnetron sputtering to improve the corrosion resistance. A 100 nm Al buffer film was used to reduce the internal stress between SiC and NdFeB and improve the surface roughness of the SiC thin film. The morphologies and structures of SiC/Al bilayer thin films and SiC monolayer film were investigated with FESEM, AFM and X-ray diffraction. The corrosion behaviors of sintered NdFeB coated with SiC monolayer film and SiC/Al bilayer thin films were analyzed by polarization curves. The magnetic properties were measured with an ultra-high coercivity permanent magnet pulse tester. The results show that the surface of SiC/Al bilayer thin films is more compact and uniform than that of SiC monolayer film. The corrosion current densities of SiC/Al bilayer films coated on NdFeB in acid, alkali and salt solutions are much lower than that of SiC monolayer film. The SiC/Al bilayer thin films have little influence to the magnetic properties of NdFeB.

  7. Bilayer porous scaffold based on poly-(ε-caprolactone) nanofibrous membrane and gelatin sponge for favoring cell proliferation

    International Nuclear Information System (INIS)

    Zhou Zhihua; Zhou Yang; Chen Yiwang; Nie Huarong; Wang Yang; Li Fan; Zheng Yan

    2011-01-01

    Electrospun poly-(ε-caprolactone) (PCL) nanofibers has been widely used in the medical prosthesis. However, poor hydrophilicity and the lack of natural recognition sites for covalent cell-recognition signal molecules to promote cell attachment have limited its utility as tissue scaffolds. In this study, Bilayer porous scaffolds based on PCL electrospun membranes and gelatin (GE) sponges were fabricated through soft hydrolysis of PCL electrospun followed by grafting gelatin onto the fiber surface, through crosslinking and freeze drying treatment of additional gelatin coat and grafted gelatin surface. GE sponges were stably anchored on PCL membrane surface with the aid of grafted GE molecules. The morphologies of bilayer porous scaffolds were observed through SEM. The contact angle of the scaffolds was 0°, the mechanical properties of scaffolds were measured by tensile test, Young's moduli of PCL scaffolds before and after hydrolysis are 66-77.3 MPa and 62.3-75.4 MPa, respectively. Thus, the bilayer porous scaffolds showed excellent hydrophilic surface and desirable mechanical strength due to the soft hydrolysis and GE coat. The cell culture results showed that the adipose derived mesenchymal stem cells did more favor to adhere and grow on the bilayer porous scaffolds than on PCL electrospun membranes. The better cell affinity of the final bilayer scaffolds not only attributed to the surface chemistry but also the introduction of bilayer porous structure.

  8. Bilayer porous scaffold based on poly-({epsilon}-caprolactone) nanofibrous membrane and gelatin sponge for favoring cell proliferation

    Energy Technology Data Exchange (ETDEWEB)

    Zhou Zhihua; Zhou Yang [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Chen Yiwang, E-mail: ywchen@ncu.edu.cn [Department of Chemistry, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Institute of Polymers, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Nie Huarong, E-mail: niehr@iccas.ac.cn [Institute of Polymers, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China); Wang Yang [First Affiliated Hospital, Nanchang University, 17 Yongwaizheng Road, Nanchang 330006 (China); Li Fan; Zheng Yan [Institute of Polymers, Nanchang University, 999 Xuefu Avenue, Nanchang 330031 (China)

    2011-12-15

    Electrospun poly-({epsilon}-caprolactone) (PCL) nanofibers has been widely used in the medical prosthesis. However, poor hydrophilicity and the lack of natural recognition sites for covalent cell-recognition signal molecules to promote cell attachment have limited its utility as tissue scaffolds. In this study, Bilayer porous scaffolds based on PCL electrospun membranes and gelatin (GE) sponges were fabricated through soft hydrolysis of PCL electrospun followed by grafting gelatin onto the fiber surface, through crosslinking and freeze drying treatment of additional gelatin coat and grafted gelatin surface. GE sponges were stably anchored on PCL membrane surface with the aid of grafted GE molecules. The morphologies of bilayer porous scaffolds were observed through SEM. The contact angle of the scaffolds was 0 Degree-Sign , the mechanical properties of scaffolds were measured by tensile test, Young's moduli of PCL scaffolds before and after hydrolysis are 66-77.3 MPa and 62.3-75.4 MPa, respectively. Thus, the bilayer porous scaffolds showed excellent hydrophilic surface and desirable mechanical strength due to the soft hydrolysis and GE coat. The cell culture results showed that the adipose derived mesenchymal stem cells did more favor to adhere and grow on the bilayer porous scaffolds than on PCL electrospun membranes. The better cell affinity of the final bilayer scaffolds not only attributed to the surface chemistry but also the introduction of bilayer porous structure.

  9. DSC and EPR investigations on effects of cholesterol component on molecular interactions between paclitaxel and phospholipid within lipid bilayer membrane.

    Science.gov (United States)

    Zhao, Lingyun; Feng, Si-Shen; Kocherginsky, Nikolai; Kostetski, Iouri

    2007-06-29

    Differential scanning calorimetry (DSC) and electron paramagnetic resonance spectroscopy (EPR) were applied to investigate effects of cholesterol component on molecular interactions between paclitaxel, which is one of the best antineoplastic agents found from nature, and dipalmitoylphosphatidylcholine (DPPC) within lipid bilayer vesicles (liposomes), which could also be used as a model cell membrane. DSC analysis showed that incorporation of paclitaxel into the DPPC bilayer causes a reduction in the cooperativity of bilayer phase transition, leading to a looser and more flexible bilayer structure. Including cholesterol component in the DPPC/paclitaxel mixed bilayer can facilitate the molecular interaction between paclitaxel and lipid and make the tertiary system more stable. EPR analysis demonstrated that both of paclitaxel and cholesterol have fluidization effect on the DPPC bilayer membranes although cholesterol has more significant effect than paclitaxel does. The reduction kinetics of nitroxides by ascorbic acid showed that paclitaxel can inhibit the reaction by blocking the diffusion of either the ascorbic acid or nitroxide molecules since the reaction is tested to be a first order one. Cholesterol can remarkably increase the reduction reaction speed. This research may provide useful information for optimizing liposomal formulation of the drug as well as for understanding the pharmacology of paclitaxel.

  10. Neutron scattering from myelin revisited: bilayer asymmetry and water-exchange kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Denninger, Andrew R. [Boston College, Chestnut Hill, MA 02467 (United States); Demé, Bruno; Cristiglio, Viviana [Institut Laue–Langevin (ILL), CS 20156, F-38042 Grenoble CEDEX 9 (France); LeDuc, Géraldine [European Synchrotron Radiation Facility (ESRF), CS 40220, F-38043 Grenoble CEDEX 9 (France); Feller, W. Bruce [NOVA Scientific Inc., Sturbridge, MA 01566 (United States); Kirschner, Daniel A., E-mail: kirschnd@bc.edu [Boston College, Chestnut Hill, MA 02467 (United States)

    2014-12-01

    The structure of internodal myelin in the rodent central and peripheral nervous systems has been determined using neutron diffraction. The kinetics of water exchange in these tissues is also described. Rapid nerve conduction in the central and peripheral nervous systems (CNS and PNS, respectively) of higher vertebrates is brought about by the ensheathment of axons with myelin, a lipid-rich, multilamellar assembly of membranes. The ability of myelin to electrically insulate depends on the regular stacking of these plasma membranes and on the presence of a number of specialized membrane-protein assemblies in the sheath, including the radial component, Schmidt–Lanterman incisures and the axo–glial junctions of the paranodal loops. The disruption of this fine-structure is the basis for many demyelinating neuropathies in the CNS and PNS. Understanding the processes that govern myelin biogenesis, maintenance and destabilization requires knowledge of myelin structure; however, the tight packing of internodal myelin and the complexity of its junctional specializations make myelin a challenging target for comprehensive structural analysis. This paper describes an examination of myelin from the CNS and PNS using neutron diffraction. This investigation revealed the dimensions of the bilayers and aqueous spaces of myelin, asymmetry between the cytoplasmic and extracellular leaflets of the membrane, and the distribution of water and exchangeable hydrogen in internodal multilamellar myelin. It also uncovered differences between CNS and PNS myelin in their water-exchange kinetics.

  11. Crystal Structure of the 30S Ribosomal Subunit from Thermus Thermophilus: Purification, Crystallization and Structure Determination

    International Nuclear Information System (INIS)

    Clemons, William M. Jr.; Brodersen, Ditlev E.; McCutcheonn, John P.; May, Joanna L.C.; Carter, Andrew P.; Morgan-Warren, Robert J.; Wimberly, Brian T.; Ramakrishnan, Venki

    2001-01-01

    We describe the crystallization and structure determination of the 30 S ribosomal subunit from Thermus thermophilus. Previous reports of crystals that diffracted to 10 (angstrom) resolution were used as a starting point to improve the quality of the diffraction. Eventually, ideas such as the addition of substrates or factors to eliminate conformational heterogeneity proved less important than attention to detail in yielding crystals that diffracted beyond 3 (angstrom) resolution. Despite improvements in technology and methodology in the last decade, the structure determination of the 30 S subunit presented some very challenging technical problems because of the size of the asymmetric unit, crystal variability and sensitivity to radiation damage. Some steps that were useful for determination of the atomic structure were: the use of anomalous scattering from the LIII edges of osmium and lutetium to obtain the necessary phasing signal; the use of tunable, third-generation synchrotron sources to obtain data of reasonable quality at high resolution; collection of derivative data precisely about a mirror plane to preserve small anomalous differences between Bijvoet mates despite extensive radiation damage and multi-crystal scaling; the pre-screening of crystals to ensure quality, isomorphism and the efficient use of scarce third-generation synchrotron time; pre-incubation of crystals in cobalt hexaammine to ensure isomorphism with other derivatives; and finally, the placement of proteins whose structures had been previously solved in isolation, in conjunction with biochemical data on protein-RNA interactions, to map out the architecture of the 30 S subunit prior to the construction of a detailed atomic-resolution model.

  12. Correlating bilayer tablet delamination tendencies to micro-environmental thermodynamic conditions during pan coating.

    Science.gov (United States)

    Zacour, Brian M; Pandey, Preetanshu; Subramanian, Ganeshkumar; Gao, Julia Z; Nikfar, Faranak

    2014-06-01

    The objective of this study was to determine the impact that the micro-environment, as measured by PyroButton data loggers, experienced by tablets during the pan coating unit operation had on the layer adhesion of bilayer tablets in open storage conditions. A full factorial design of experiments (DOE) with three center points was conducted to study the impact of final tablet hardness, film coating spray rate and film coating exhaust temperature on the delamination tendencies of bilayer tablets. PyroButton data loggers were placed (fixed) at various locations in a pan coater and were also allowed to freely move with the tablet bed to measure the micro-environmental temperature and humidity conditions of the tablet bed. The variance in the measured micro-environment via PyroButton data loggers accounted for 75% of the variance in the delamination tendencies of bilayer tablets on storage (R(2 )= 0.75). A survival analysis suggested that tablet hardness and coating spray rate significantly impacted the delamination tendencies of the bilayer tablets under open storage conditions. The coating exhaust temperature did not show good correlation with the tablets' propensity to crack indicating that it was not representative of the coating micro-environment. Models created using data obtained from the PyroButton data loggers outperformed models created using primary DOE factors in the prediction of bilayer tablet strength, especially upon equipment or scale transfers. The coating micro-environment experienced by tablets during the pan coating unit operation significantly impacts the strength of the bilayer interface of tablets on storage.

  13. Hematite/silver nanoparticle bilayers on mica--AFM, SEM and streaming potential studies.

    Science.gov (United States)

    Morga, Maria; Adamczyk, Zbigniew; Oćwieja, Magdalena; Bielańska, Elżbieta

    2014-06-15

    Bilayers of hematite/silver nanoparticles were obtained in the self-assembly process and thoroughly characterized using scanning electron microscopy (SEM), atomic force microscopy (AFM), and in situ streaming potential measurements. The hematite nanoparticles, forming a supporting layer, were 22 nm in diameter, exhibiting an isoelectric point at pH 8.9. The silver nanoparticles, used to obtain an external layer, were 29 nm in diameter, and remained negative within the pH range 3 to 11. In order to investigate the particle deposition, mica sheets were used as a model solid substrate. The coverage of the supporting layer was adjusted by changing the bulk concentration of the hematite suspension and the deposition time. Afterward, silver nanoparticle monolayers of controlled coverage were deposited under the diffusion-controlled transport. The coverage of bilayers was determined by a direct enumeration of deposited particles from SEM micrographs and AFM images. Additionally, the formation of the hematite/silver bilayers was investigated by streaming potential measurements carried out under in situ conditions. The effect of the mica substrate and the coverage of a supporting layer on the zeta potential of bilayers was systematically studied. It was established that for the coverage exceeding 0.20, the zeta potential of bilayers was independent on the substrate and the supporting layer coverage. This behavior was theoretically interpreted in terms of the 3D electrokinetic model. Beside significance for basic sciences, these measurements allowed to develop a robust method of preparing nanoparticle bilayers of controlled properties, having potential applications in catalytic processes. Copyright © 2014 Elsevier Inc. All rights reserved.

  14. CCDC 1416891: Experimental Crystal Structure Determination : Methyl-triphenyl-germanium

    KAUST Repository

    Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir

    2015-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from

  15. 1,2-Dielaidoylphosphocholine/1,2-dimyristoylphosphoglycerol supported phospholipid bilayer formation in calcium and calcium-free buffer

    International Nuclear Information System (INIS)

    Evans, Kervin O.

    2012-01-01

    Phospholipid membranes are useful in the field of biocatalysis because a supported phospholipid membrane can create a biomimetic platform where biocatalytic processes can readily occur. In this work, supported bilayer formation from sonicated phospholipid vesicles containing 1,2-dielaidoyl-sn-glycero-3-phosphocholine and 1,2-dimyristoyl-sn-glycero-3-[phospho-rac-(1-glycerol)] was studied using a quartz crystal microbalance with dissipation monitoring and an atomic force microscope. The molar percentages of DEPC and DMPG were varied to determine the effect of overall lipid composition on supported bilayer formation. This work also explored the effect that calcium ion concentration had on supported bilayer formation. Results show that vesicles with up to 50 mol% dimyristoylphosphoglycerol can form a supported bilayer without the presence of calcium ions; however, supported bilayer formation in calcium buffer was inhibited as the anionic (negatively charged) lipid concentration increased. Data suggest that supported phospholipid bilayer formation in the absence of Ca 2+ from vesicles containing negatively charged lipids is specific to phosphatidylglycerol. - Highlights: ► SPB formation of DEPC vesicles containing 0 to 50 mol% DMPG monitored using QCM-D. ► Ca 2+ inhibited SPB formation of DEPC vesicles containing 30 to 50 mol% DMPG. ► Vesicles containing DMPG at 0 to 50 mol% formed SPB in buffer free of Ca 2+ .

  16. Discovery and structure determination of the orphan enzyme isoxanthopterin deaminase .

    Science.gov (United States)

    Hall, Richard S; Agarwal, Rakhi; Hitchcock, Daniel; Sauder, J Michael; Burley, Stephen K; Swaminathan, Subramanyam; Raushel, Frank M

    2010-05-25

    Two previously uncharacterized proteins have been identified that efficiently catalyze the deamination of isoxanthopterin and pterin 6-carboxylate. The genes encoding these two enzymes, NYSGXRC-9339a ( gi|44585104 ) and NYSGXRC-9236b ( gi|44611670 ), were first identified from DNA isolated from the Sargasso Sea as part of the Global Ocean Sampling Project. The genes were synthesized, and the proteins were subsequently expressed and purified. The X-ray structure of Sgx9339a was determined at 2.7 A resolution (Protein Data Bank entry 2PAJ ). This protein folds as a distorted (beta/alpha)(8) barrel and contains a single zinc ion in the active site. These enzymes are members of the amidohydrolase superfamily and belong to cog0402 within the clusters of orthologous groups (COG). Enzymes in cog0402 have previously been shown to catalyze the deamination of guanine, cytosine, S-adenosylhomocysteine, and 8-oxoguanine. A small compound library of pteridines, purines, and pyrimidines was used to probe catalytic activity. The only substrates identified in this search were isoxanthopterin and pterin 6-carboxylate. The kinetic constants for the deamination of isoxanthopterin with Sgx9339a were determined to be 1.0 s(-1), 8.0 muM, and 1.3 x 10(5) M(-1) s(-1) (k(cat), K(m), and k(cat)/K(m), respectively). The active site of Sgx9339a most closely resembles the active site for 8-oxoguanine deaminase (Protein Data Bank entry 2UZ9 ). A model for substrate recognition of isoxanthopterin by Sgx9339a was proposed on the basis of the binding of guanine and xanthine in the active site of guanine deaminase. Residues critical for substrate binding appear to be conserved glutamine and tyrosine residues that form hydrogen bonds with the carbonyl oxygen at C4, a conserved threonine residue that forms hydrogen bonds with N5, and another conserved threonine residue that forms hydrogen bonds with the carbonyl group at C7. These conserved active site residues were used to identify 24 other genes

  17. Discovery and Structure Determination of the Orphan Enzyme Isoxanthopterin Deaminase

    Energy Technology Data Exchange (ETDEWEB)

    Hall, R.S.; Swaminathan, S.; Agarwal, R.; Hitchcock, D.; Sauder, J. M.; Burley, S. K.; Raushel, F. M.

    2010-05-25

    Two previously uncharacterized proteins have been identified that efficiently catalyze the deamination of isoxanthopterin and pterin 6-carboxylate. The genes encoding these two enzymes, NYSGXRC-9339a (gi|44585104) and NYSGXRC-9236b (gi|44611670), were first identified from DNA isolated from the Sargasso Sea as part of the Global Ocean Sampling Project. The genes were synthesized, and the proteins were subsequently expressed and purified. The X-ray structure of Sgx9339a was determined at 2.7 {angstrom} resolution (Protein Data Bank entry 2PAJ). This protein folds as a distorted ({beta}/{alpha}){sub 8} barrel and contains a single zinc ion in the active site. These enzymes are members of the amidohydrolase superfamily and belong to cog0402 within the clusters of orthologous groups (COG). Enzymes in cog0402 have previously been shown to catalyze the deamination of guanine, cytosine, S-adenosylhomocysteine, and 8-oxoguanine. A small compound library of pteridines, purines, and pyrimidines was used to probe catalytic activity. The only substrates identified in this search were isoxanthopterin and pterin 6-carboxylate. The kinetic constants for the deamination of isoxanthopterin with Sgx9339a were determined to be 1.0 s{sup -1}, 8.0 {micro}M, and 1.3 x 10{sup 5} M{sup -1} s{sup -1} (k{sub cat}, K{sub m}, and k{sub cat}/K{sub m}, respectively). The active site of Sgx9339a most closely resembles the active site for 8-oxoguanine deaminase (Protein Data Bank entry 2UZ9). A model for substrate recognition of isoxanthopterin by Sgx9339a was proposed on the basis of the binding of guanine and xanthine in the active site of guanine deaminase. Residues critical for substrate binding appear to be conserved glutamine and tyrosine residues that form hydrogen bonds with the carbonyl oxygen at C4, a conserved threonine residue that forms hydrogen bonds with N5, and another conserved threonine residue that forms hydrogen bonds with the carbonyl group at C7. These conserved active site

  18. High efficiency electrophosphorescence from bilayer organic light emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Li Minghang; Lin, Ming-Te; Shepherd, Nigel D [Department of Material Science and Engineering, University of North Texas, Denton, TX (United States); Chen, Wei-Hsuan; Oswald, Iain; Omary, Mohammad [Department of Chemeistry, University of North Texas, Denton, TX (United States)

    2011-09-14

    An electron mobility of 2.7 x 10{sup -5} cm{sup 2} V{sup -1} s{sup -1} was measured for the phosphorescent emitter bis[3,5-bis(2-pyridyl)-1,2,4-triazolato]platinum(II)(Pt(ptp)2), which prompted its evaluation as both the emissive layer and electron transport layer in organic light emitting diodes with a simple bilayer structure. Power and external quantum efficiencies of 54.0 {+-} 0.2 lm W{sup -1} and 15.9% were obtained, which as far as we could ascertain are amongst the highest reported values for bilayer devices. We ascribe the high device efficiency to the combination of the high electron mobility, short excited-state lifetime (117 ns) and high luminescence quantum yield (60%) of the bis[3,5-bis(2-pyridyl)-1,2,4-triazolato]platinum(II). The colour temperature of the devices was 2855 K at 5 V, which places the emission in the 'warm' light spectral region.

  19. Voltage tunable plasmon propagation in dual gated bilayer graphene

    Science.gov (United States)

    Farzaneh, Seyed M.; Rakheja, Shaloo

    2017-10-01

    In this paper, we theoretically investigate plasmon propagation characteristics in AB and AA stacked bilayer graphene (BLG) in the presence of energy asymmetry due to an electrostatic field oriented perpendicularly to the plane of the graphene sheet. We first derive the optical conductivity of BLG using the Kubo formalism incorporating energy asymmetry and finite electron scattering. All results are obtained for room temperature (300 K) operation. By solving Maxwell's equations in a dual gate device setup, we obtain the wavevector of propagating plasmon modes in the transverse electric (TE) and transverse magnetic (TM) directions at terahertz frequencies. The plasmon wavevector allows us to compare the compression factor, propagation length, and the mode confinement of TE and TM plasmon modes in bilayer and monolayer graphene sheets and also to study the impact of material parameters on plasmon characteristics. Our results show that the energy asymmetry can be harnessed to increase the propagation length of TM plasmons in BLG. AA stacked BLG shows a larger increase in the propagation length than AB stacked BLG; conversely, it is very insensitive to the Fermi level variations. Additionally, the dual gate structure allows independent modulation of the energy asymmetry and the Fermi level in BLG, which is advantageous for reconfiguring plasmon characteristics post device fabrication.

  20. Photoluminescent lanthanide-organic bilayer networks with 2,3-pyrazinedicarboxylate and oxalate.

    Science.gov (United States)

    Soares-Santos, Paula C R; Cunha-Silva, Luís; Paz, Filipe A Almeida; Ferreira, Rute A S; Rocha, João; Carlos, Luís D; Nogueira, Helena I S

    2010-04-05

    The hydrothermal reaction between lanthanide nitrates and 2,3-pyrazinedicarboxylic acid led to a new series of two-dimensional (2D) lanthanide-organic frameworks: [Ln(2)(2,3-pzdc)(2)(ox)(H(2)O)(2)](n) [where 2,3-pzdc(2-) = 2,3-pyrazinedicarboxylate, ox(2-) = oxalate, and Ln(III) = Ce, Nd, Sm, Eu, Gd, Tb, or Er]. The structural details of these materials were determined by single-crystal X-ray diffraction (for Ce(3+) and Nd(3+)) that revealed the formation of a layered structure. Cationic monolayers of {(infinity)(2)[Ln(2,3-pzdc)(H(2)O)](+)} are interconnected via the ox(2-) ligand leading to the formation of neutral (infinity)(2)[Ln(2)(2,3-pzdc)(2)(ox)(H(2)O)(2)] bilayer networks; structural cohesion of the crystalline packing is reinforced by the presence of highly directional O-H...O hydrogen bonds between adjacent bilayers. Under the employed hydrothermal conditions 2,3-pyrazinedicarboxylic acid can be decomposed into ox(2-) and 2-pyrazinecarboxylate (2-pzc(-)), as unequivocally proved by the isolation of the discrete complex [Tb(2)(2-pzc)(4)(ox)(H(2)O)(6)].10H(2)O. Single-crystal X-ray diffraction of this latter complex revealed its co-crystallization with an unprecedented (H(2)O)(16) water cluster. Photoluminescence measurements were performed for the Nd(3+), Sm(3+), Eu(3+), and Tb(3+) compounds which show, under UV excitation at room temperature, the Ln(3+) characteristic intra-4f(N) emission peaks. The energy level of the triplet states of 2,3-pyrazinedicarboxylic acid (18939 cm(-1)) and oxalic acid (24570 cm(-1)) was determined from the 12 K emission spectrum of the Gd(3+) compound. The (5)D(0) and (5)D(4) lifetime values (0.333 +/- 0.006 and 0.577 +/- 0.017 ms) and the absolute emission quantum yields (0.13 +/- 0.01 and 0.05 +/- 0.01) were determined for the Eu(3+) and Tb(3+) compounds, respectively. For the Eu(3+) compound the energy transfer efficiency arising from the ligands' excited states was estimated (0.93 +/- 0.01).

  1. Integrated Structural Biology for α-Helical Membrane Protein Structure Determination.

    Science.gov (United States)

    Xia, Yan; Fischer, Axel W; Teixeira, Pedro; Weiner, Brian; Meiler, Jens

    2018-04-03

    While great progress has been made, only 10% of the nearly 1,000 integral, α-helical, multi-span membrane protein families are represented by at least one experimentally determined structure in the PDB. Previously, we developed the algorithm BCL::MP-Fold, which samples the large conformational space of membrane proteins de novo by assembling predicted secondary structure elements guided by knowledge-based potentials. Here, we present a case study of rhodopsin fold determination by integrating sparse and/or low-resolution restraints from multiple experimental techniques including electron microscopy, electron paramagnetic resonance spectroscopy, and nuclear magnetic resonance spectroscopy. Simultaneous incorporation of orthogonal experimental restraints not only significantly improved the sampling accuracy but also allowed identification of the correct fold, which is demonstrated by a protein size-normalized transmembrane root-mean-square deviation as low as 1.2 Å. The protocol developed in this case study can be used for the determination of unknown membrane protein folds when limited experimental restraints are available. Copyright © 2018 Elsevier Ltd. All rights reserved.

  2. Tuning the energy gap of bilayer α-graphyne by applying strain and electric field

    Science.gov (United States)

    Yang, Hang; Wu, Wen-Zhi; Jin, Yu; Wan-Lin, Guo

    2016-02-01

    Our density functional theory calculations show that the energy gap of bilayer α-graphyne can be modulated by a vertically applied electric field and interlayer strain. Like bilayer graphene, the bilayer α-graphyne has electronic properties that are hardly changed under purely mechanical strain, while an external electric field can open the gap up to 120 meV. It is of special interest that compressive strain can further enlarge the field induced gap up to 160 meV, while tensile strain reduces the gap. We attribute the gap variation to the novel interlayer charge redistribution between bilayer α-graphynes. These findings shed light on the modulation of Dirac cone structures and potential applications of graphyne in mechanical-electric devices. Project supported by the National Key Basic Research Program of China (Grant Nos. 2013CB932604 and 2012CB933403), the National Natural Science Foundation of China (Grant Nos. 51472117 and 51535005), the Research Fund of State Key Laboratory of Mechanics and Control of Mechanical Structures, China (Grant No. 0414K01), the Nanjing University of Aeronautics and Astronautics (NUAA) Fundamental Research Funds, China (Grant No. NP2015203), and the Priority Academic Program Development of Jiangsu Higher Education Institutions.

  3. Tunable resistive switching behaviour in ferroelectric–ZnO bilayer films

    International Nuclear Information System (INIS)

    Zhou Mingxiu; Li Ziwei; Chen Bo; Wan Jianguo; Liu Junming

    2013-01-01

    Pb(Zr 0.52 Ti 0.48 )O 3 /ZnO bilayer films with various ZnO-layer thicknesses were prepared by a sol–gel process, and their phase structures, electric conduction and polarization behaviour were measured. The results showed that the preferential crystal orientation of the ZnO layer changed with a change in its thickness. The strong dependence of both asymmetric current–voltage and polarization–voltage characteristics on the ZnO-layer thickness was observed. The resistance ratio of the high-resistance state (HRS) to the low-resistance state (LRS) increased with increasing ZnO-layer thickness, and a high rectification ratio was obtained in the bilayer film with an optimized ZnO-layer thickness. The combined effects of interface polarization coupling and energy band structure on the resistive switching behaviour of the bilayer films were revealed, and the electric conduction mechanisms of the bilayer films at both HRS and LRS were analysed in detail. This work presents an effective method to modulate the resistive switching behaviour of ferroelectric–ZnO heterostructures, which is significant in designing high-performance ferroelectric–semiconductor heterostructures for actual applications. (paper)

  4. Xenon-ion-induced and thermal mixing of Co/Si bilayers and their interplay

    Science.gov (United States)

    Novaković, M.; Zhang, K.; Popović, M.; Bibić, N.; Hofsäss, H.; Lieb, K. P.

    2011-05-01

    Studies on ion-irradiated transition-metal/silicon bilayers demonstrate that interface mixing and silicide phase formation depend sensitively on the ion and film parameters, including the structure of the metal/Si interface. Thin Co layers e-gun evaporated to a thickness of 50 nm on Si(1 0 0) wafers were bombarded at room temperature with 400-keV Xe + ions at fluences of up to 3 × 10 16 cm -2. We used either crystalline or pre-amorphized Si wafers the latter ones prepared by 1.0-keV Ar-ion implantation. The as-deposited or Xe-ion-irradiated samples were then isochronally annealed at temperatures up to 700 °C. Changes of the bilayer structures induced by ion irradiation and/or annealing were investigated with RBS, XRD and HRTEM. The mixing rate for the Co/c-Si couples, Δ σ2/ Φ = 3.0(4) nm 4, is higher than the value expected for ballistic mixing and about half the value typical for spike mixing. Mixing of pre-amorphized Si is much weaker relative to crystalline Si wafers, contrary to previous results obtained for Fe/Si bilayers. Annealing of irradiated samples produces very similar interdiffusion and phase formation patterns above 400 °C as in the non-irradiated Co/Si bilayers: the phase evolution follows the sequence Co 2Si → CoSi → CoSi 2.

  5. Xenon-ion-induced and thermal mixing of Co/Si bilayers and their interplay

    International Nuclear Information System (INIS)

    Novakovic, M.; Zhang, K.; Popovic, M.; Bibic, N.; Hofsaess, H.; Lieb, K.P.

    2011-01-01

    Studies on ion-irradiated transition-metal/silicon bilayers demonstrate that interface mixing and silicide phase formation depend sensitively on the ion and film parameters, including the structure of the metal/Si interface. Thin Co layers e-gun evaporated to a thickness of 50 nm on Si(1 0 0) wafers were bombarded at room temperature with 400-keV Xe + ions at fluences of up to 3 x 10 16 cm -2 . We used either crystalline or pre-amorphized Si wafers the latter ones prepared by 1.0-keV Ar-ion implantation. The as-deposited or Xe-ion-irradiated samples were then isochronally annealed at temperatures up to 700 o C. Changes of the bilayer structures induced by ion irradiation and/or annealing were investigated with RBS, XRD and HRTEM. The mixing rate for the Co/c-Si couples, Δσ 2 /Φ = 3.0(4) nm 4 , is higher than the value expected for ballistic mixing and about half the value typical for spike mixing. Mixing of pre-amorphized Si is much weaker relative to crystalline Si wafers, contrary to previous results obtained for Fe/Si bilayers. Annealing of irradiated samples produces very similar interdiffusion and phase formation patterns above 400 o C as in the non-irradiated Co/Si bilayers: the phase evolution follows the sequence Co 2 Si → CoSi → CoSi 2 .

  6. Development of an automation technique for the establishment of functional lipid bilayer arrays

    International Nuclear Information System (INIS)

    Hansen, J S; Vogel, J; Geschke, O; Emnéus, J; Nielsen, C H; Perry, M; Vissing, T; Hansen, C R

    2009-01-01

    In the present work, a technique for establishing multiple black lipid membranes (BLMs) in arrays of micro structured ethylene tetrafluoroethylene (ETFE) films, and supported by a micro porous material was developed. Rectangular 8 × 8 arrays with apertures having diameters of 301 ± 5 µm were fabricated in ETFE Teflon film by laser ablation using a carbon dioxide laser. Multiple lipid membranes could be formed across the micro structured 8 × 8 array ETFE partitions. Success rates for the establishment of cellulose-supported BLMs across the multiple aperture arrays were above 95%. However, the time course of the membrane thinning process was found to vary considerably between multiple aperture bilayer experiments. An airbrush partition pretreatment technique was developed to increase the reproducibility of the multiple lipid bilayers formation during the time course from the establishment of the lipid membranes to the formation of bilayers. The results showed that multiple lipid bilayers could be reproducible formed across the airbrush-pretreated 8 × 8 rectangular arrays. The ionophoric peptide valinomycin was incorporated into established membrane arrays, resulting in ionic currents that could be effectively blocked by tetraethylammonium. This shows that functional bimolecular lipid membranes were established, and furthermore outlines that the established lipid membrane arrays could host functional membrane-spanning molecules

  7. Raman Spectroscopy of DLC/a-Si Bilayer Film Prepared by Pulsed Filtered Cathodic Arc

    Directory of Open Access Journals (Sweden)

    C. Srisang

    2012-01-01

    Full Text Available DLC/a-Si bilayer film was deposited on germanium substrate. The a-Si layer, a seed layer, was firstly deposited on the substrate using DC magnetron sputtering and DLC layer was then deposited on the a-Si layer using pulsed filtered cathodic arc method. The bilayer films were deposited with different DLC/a-Si thickness ratios, including 2/2, 2/6, 4/4, 6/2, and 9/6. The effect of DLC/a-Si thickness ratios on the sp3 content of DLC was analyzed by Raman spectroscopy. The results show that a-Si layer has no effect on the structure of DLC film. Furthermore, the upper shift in G wavenumber and the decrease in ID/IG inform that sp3 content of the film is directly proportional to DLC thickness. The plot modified from the three-stage model informed that the structural characteristics of DLC/a-Si bilayer films are located close to the tetrahedral amorphous carbon. This information may be important for analyzing and developing bilayer protective films for future hard disk drive.

  8. Effects of Fatty Acid Inclusion in a DMPC Bilayer Membrane

    DEFF Research Database (Denmark)

    Peters, Günther H.J.; Hansen, Flemming Yssing; Møller, Martin S.

    2009-01-01

    Free fatty acids in biomembranes have been proposed to be a central component in several cellular control and regulatory mechanisms. To elucidate some fundamental elements underlying this, we have applied molecular dynamics simulations and experimental density measurements to study the molecular...... packing and structure of oleic acid (HOA) and stearic acid (HSA) in fluid bilayers of dimyristoylphosphatidylcholine (DMPC). The experimental data show a small but consistent positive excess volume for fatty acid concentrations below 10 mol %. At higher concentrations the fatty acids mix ideally...... with fluid DMPC. The simulations, which were benchmarked against the densitometric data, revealed interesting differences in the structure and location of the fatty acids depending on their protonation status. Thus, the protonated (uncharged) acid is located rather deeply in the membrane with an average...

  9. Bilayer expurgated LDPC codes with uncoded relaying

    Directory of Open Access Journals (Sweden)

    Md. Noor-A-Rahim

    2017-08-01

    Full Text Available Bilayer low-density parity-check (LDPC codes are an effective coding technique for decode-and-forward relaying, where the relay forwards extra parity bits to help the destination to decode the source bits correctly. In the existing bilayer coding scheme, these parity bits are protected by an error correcting code and assumed reliably available at the receiver. We propose an uncoded relaying scheme, where the extra parity bits are forwarded to the destination without any protection. Through density evolution analysis and simulation results, we show that our proposed scheme achieves better performance in terms of bit erasure probability than the existing relaying scheme. In addition, our proposed scheme results in lower complexity at the relay.

  10. Electrically Controllable Magnetism in Twisted Bilayer Graphene.

    Science.gov (United States)

    Gonzalez-Arraga, Luis A; Lado, J L; Guinea, Francisco; San-Jose, Pablo

    2017-09-08

    Twisted graphene bilayers develop highly localized states around AA-stacked regions for small twist angles. We show that interaction effects may induce either an antiferromagnetic or a ferromagnetic (FM) polarization of said regions, depending on the electrical bias between layers. Remarkably, FM-polarized AA regions under bias develop spiral magnetic ordering, with a relative 120° misalignment between neighboring regions due to a frustrated antiferromagnetic exchange. This remarkable spiral magnetism emerges naturally without the need of spin-orbit coupling, and competes with the more conventional lattice-antiferromagnetic instability, which interestingly develops at smaller bias under weaker interactions than in monolayer graphene, due to Fermi velocity suppression. This rich and electrically controllable magnetism could turn twisted bilayer graphene into an ideal system to study frustrated magnetism in two dimensions.

  11. Bilayer Protograph Codes for Half-Duplex Relay Channels

    Science.gov (United States)

    Divsalar, Dariush; VanNguyen, Thuy; Nosratinia, Aria

    2013-01-01

    Direct to Earth return links are limited by the size and power of lander devices. A standard alternative is provided by a two-hops return link: a proximity link (from lander to orbiter relay) and a deep-space link (from orbiter relay to Earth). Although direct to Earth return links are limited by the size and power of lander devices, using an additional link and a proposed coding for relay channels, one can obtain a more reliable signal. Although significant progress has been made in the relay coding problem, existing codes must be painstakingly optimized to match to a single set of channel conditions, many of them do not offer easy encoding, and most of them do not have structured design. A high-performing LDPC (low-density parity-check) code for the relay channel addresses simultaneously two important issues: a code structure that allows low encoding complexity, and a flexible rate-compatible code that allows matching to various channel conditions. Most of the previous high-performance LDPC codes for the relay channel are tightly optimized for a given channel quality, and are not easily adapted without extensive re-optimization for various channel conditions. This code for the relay channel combines structured design and easy encoding with rate compatibility to allow adaptation to the three links involved in the relay channel, and furthermore offers very good performance. The proposed code is constructed by synthesizing a bilayer structure with a pro to graph. In addition to the contribution to relay encoding, an improved family of protograph codes was produced for the point-to-point AWGN (additive white Gaussian noise) channel whose high-rate members enjoy thresholds that are within 0.07 dB of capacity. These LDPC relay codes address three important issues in an integrative manner: low encoding complexity, modular structure allowing for easy design, and rate compatibility so that the code can be easily matched to a variety of channel conditions without extensive

  12. Application of molecular spectroscopy to the determination of organic structures

    International Nuclear Information System (INIS)

    Leicknam, J.P.

    1976-01-01

    Some brief accounts are presented followed by a discussion about various physico-chemical techniques: Raman spectrometry, infrared spectrometry, resonance Raman spectrometry, conformational analysis and polarized Rayleigh diffusion. Applications of the Nuclear Magnetic Resonance to nucleotide structure in aqueous solution are described as well as some applications of neutron scattering to the study of organic structures [fr

  13. CCDC 1408042: Experimental Crystal Structure Determination : 6,13-dimesitylpentacene

    KAUST Repository

    Shi, Xueliang

    2015-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  14. CCDC 1416891: Experimental Crystal Structure Determination : Methyl-triphenyl-germanium

    KAUST Repository

    Bernatowicz, Piotr

    2015-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  15. 5 THE DETERMINANTS OF FINANCIAL STRUCTURE IN THE ...

    African Journals Online (AJOL)

    these authors showed that the presence of imperfections in the market ... impact of financial structure on firm value, several theoretical and ... structure of for-profit organizations (Fama and French, 2000; .... compared to large companies to face the pressures that are generated .... assets' accounting value or the sales.

  16. Determining the Mechanical Properties of Lattice Block Structures

    Science.gov (United States)

    Wilmoth, Nathan

    2013-01-01

    Lattice block structures and shape memory alloys possess several traits ideal for solving intriguing new engineering problems in industries such as aerospace, military, and transportation. Recent testing at the NASA Glenn Research Center has investigated the material properties of lattice block structures cast from a conventional aerospace titanium alloy as well as lattice block structures cast from nickel-titanium shape memory alloy. The lattice block structures for both materials were sectioned into smaller subelements for tension and compression testing. The results from the cast conventional titanium material showed that the expected mechanical properties were maintained. The shape memory alloy material was found to be extremely brittle from the casting process and only compression testing was completed. Future shape memory alloy lattice block structures will utilize an adjusted material composition that will provide a better quality casting. The testing effort resulted in baseline mechanical property data from the conventional titanium material for comparison to shape memory alloy materials once suitable castings are available.

  17. Quantitative x-ray structure determination of superlattices and interfaces

    International Nuclear Information System (INIS)

    Schuller, I.K.; Fullerton, E.E.

    1990-01-01

    This paper presents a general procedure for quantitative structural refinement of superlattice structures. To analyze a wide range of superlattices, the authors have derived a general kinematical diffraction formula that includes random, continuous and discrete fluctuations from the average structure. By implementing a non-linear fitting algorithm to fit the entire x-ray diffraction profile, refined parameters that describe the average superlattice structure, and deviations from this average are obtained. The structural refinement procedure is applied to a crystalline/crystalline Mo/Ni superlattices and crystalline/amorphous Pb/Ge superlattices. Roughness introduced artificially during growth in Mo/Ni superlattices is shown to be accurately reproduced by the refinement

  18. Ultrafast lithium diffusion in bilayer graphene

    Science.gov (United States)

    Kühne, Matthias; Paolucci, Federico; Popovic, Jelena; Ostrovsky, Pavel M.; Maier, Joachim; Smet, Jurgen H.

    2017-09-01

    Solids that simultaneously conduct electrons and ions are key elements for the mass transfer and storage required in battery electrodes. Single-phase materials with a high electronic and high ionic conductivity at room temperature are hard to come by, and therefore multiphase systems with separate ion and electron channels have been put forward instead. Here we report on bilayer graphene as a single-phase mixed conductor that demonstrates Li diffusion faster than in graphite and even surpassing the diffusion of sodium chloride in liquid water. To measure Li diffusion, we have developed an on-chip electrochemical cell architecture in which the redox reaction that forces Li intercalation is localized only at a protrusion of the device so that the graphene bilayer remains unperturbed from the electrolyte during operation. We performed time-dependent Hall measurements across spatially displaced Hall probes to monitor the in-plane Li diffusion kinetics within the graphene bilayer and measured a diffusion coefficient as high as 7 × 10-5 cm2 s-1.

  19. Ion beam mixing isotopic metal bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Fell, C J [Newcastle Univ., NSW (Australia). Dept. of Physics; Kenny, M J [CSIRO, Lindfield, NSW (Australia). Div. of Applied Physics

    1994-12-31

    In order to obtain an insight into the mechanisms of ion-solid interactions, bilayer targets can be prepared from two different isotopes. A mixing study SIMS is to be carried out using specially grown monocrystalline bilayers of {sup 58}Ni / {sup 60}Ni. An important aspect of the work is the preparation of high quality single-crystal thin films. The Ni layers will be grown on the (110) surface of pure Ni and verified for crystallinity using Reflection High-Energy Electron Diffraction and Rutherford Backscattering channelling analysis. The Pd bilayers will be grown on a Pd (100) surface. RHEED will be used to confirm the two-dimensional crystallinity of the surface before and after deposition of each layer, and channelling used to confirm bulk film crystallinity. Single crystal substrates are currently being prepared. Analysis of the Ni (110) surface using RHEED at 9 kV shows a streak spacing which corresponds to a lattice spacing of 2.47 {+-} 0.09 Angstroms. 9 refs., 1 fig.

  20. Ion beam mixing isotopic metal bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Fell, C.J. [Newcastle Univ., NSW (Australia). Dept. of Physics; Kenny, M.J. [CSIRO, Lindfield, NSW (Australia). Div. of Applied Physics

    1993-12-31

    In order to obtain an insight into the mechanisms of ion-solid interactions, bilayer targets can be prepared from two different isotopes. A mixing study SIMS is to be carried out using specially grown monocrystalline bilayers of {sup 58}Ni / {sup 60}Ni. An important aspect of the work is the preparation of high quality single-crystal thin films. The Ni layers will be grown on the (110) surface of pure Ni and verified for crystallinity using Reflection High-Energy Electron Diffraction and Rutherford Backscattering channelling analysis. The Pd bilayers will be grown on a Pd (100) surface. RHEED will be used to confirm the two-dimensional crystallinity of the surface before and after deposition of each layer, and channelling used to confirm bulk film crystallinity. Single crystal substrates are currently being prepared. Analysis of the Ni (110) surface using RHEED at 9 kV shows a streak spacing which corresponds to a lattice spacing of 2.47 {+-} 0.09 Angstroms. 9 refs., 1 fig.