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Sample records for ion-induced structural modification

  1. Swift heavy ion induced optical and structural modifications in RF sputtered nanocrystalline ZnO thin film

    Science.gov (United States)

    Singh, S. K.; Singhal, R.; Vishnoi, R.; Kumar, V. V. S.; Kulariya, P. K.

    2017-01-01

    In the present study, 100 MeV Ag7+ ion beam-induced structural and optical modifications of nanocrystalline ZnO thin films are investigated. The nanocrystalline ZnO thin films are grown using radio frequency magnetron sputtering and irradiated at fluences of 3 × 1012, 1 × 1013 and 3 × 1013 ions/cm2. The incident swift heavy ions induced change in the crystallinity together with the preferential growth of crystallite size along the c axis (002) orientation. The average crystallite size is found to be increased from 10.8 ± 0.7 to 20.5 ± 0.3 nm with increasing the ion fluence. The Atomic force microscopy analysis confirms the variation in the surface roughness by varying the incident ion fluences. The UV-visible spectroscopy shows the decrement in transmittance of the film with ion irradiation. The micro-Raman spectra of ZnO thin films are investigated to observe ion-induced modifications which support the increased lattice defects with higher fluence. The variation in crystallinity indicates that ZnO-based devices can be used in piezoelectric transduction mechanism.

  2. Ion-Induced Surface Modification of Magnetically Operated Contacts

    Directory of Open Access Journals (Sweden)

    Karen Arushanov

    2012-02-01

    Full Text Available A study has been made of permalloy (iron-nickel contacts of reed switches before and after ion-induced surface modification using atomic force and optical microscopy, Auger electron and X-ray photoelectron spectroscopy. It has been found that the formation of surface nitride layers enhances corrosion and erosion resistance of contacts. We proposed to produce such layers directly into sealed reed switches by means of pulsing glow-discharge nitrogen plasma.

  3. Anomalous deep ion-induced modification of HOPG

    Science.gov (United States)

    Andrianova, N. N.; Borisov, A. M.; Mashkova, E. S.; Sevostyanova, V. S.; Virgiliev, Yu. S.

    2013-11-01

    The temperature dependences ion-induced processes of HOPG (UPV-1T) basal plane modification under high-fluence (1018 ion/cm2) 10-30 keV Ar+ ion irradiation have been studied in temperature range from room temperature to 400 °C. The RBS has been applied to estimate the modified layer depth. The morphology changes have been studied by SEM. It has been found that at sufficiently high ion energy the modified layer depth can be ten times more then the ion projected range Rp. The two different effects of deep modification with depth >1000 nm are observed. Firstly, at the temperatures smaller then the temperature of ion-induced texture transition T channelling geometry. Secondly, at Tt ion irradiation at temperature of texture transition Tt, as the irradiation at sufficiently high T ⩾ 400 °C, does not lead to deep modification effect and the depth h of disordered layer is about Rp. There are the energy thresholds of deep modification which correspond to threshold mean values of stationary level of radiation damage - about 50 and 65 displacements per atom accordingly for deep modification at RT and at T ∼ 250 °C.

  4. Swift heavy ion induced modification of aliphatic polymers

    Energy Technology Data Exchange (ETDEWEB)

    Hossain, Umme Habiba

    2015-01-15

    In this thesis, the high energy heavy ion induced modification of aliphatic polymers is studied. Two polymer groups, namely polyvinyl polymers (PVF, PVAc, PVA and PMMA) and fluoropolymers (PVDF, ETFE, PFA and FEP) were used in this work. Polyvinyl polymers were investigated since they will be used as insulating materials in the superconducting magnets of the new ion accelerators of the planned International Facility for Antiproton and Ion Research (FAIR) at the GSI Helmholtz-Centre of Heavy Ion Research (GSI) in Darmstadt. In order to study ion-beam induced degradation, all polymer foils were irradiated at the GSI linear accelerator UNILAC using several projectiles (U, Au, Sm, Xe) and experimentation sites (beam lines X0 and M3) over a large fluence regime (1 x 10{sup 10} - 5 x 10{sup 12} ions/cm{sup 2}). Five independent techniques, namely infrared (FT-IR) and ultraviolet-visible (UV-Vis) spectroscopy, residual gas analysis (RGA), thermal gravimetric analysis (TGA), and mass loss analysis (ML), were used to analyze the irradiated samples. FT-IR spectroscopy revealed that ion irradiation led to the decrease of characteristic band intensities showing the general degradation of the polymers, with scission of side groups and the main backbone. As a consequence of the structural modification, new bands appeared. UV-Vis transmission analysis showed an absorption edge shift from the ultraviolet region towards the visible region indicating double bond and conjugated double bond formation. On-line massspectrometric residual gas analysis showed the release of small gaseous fragment molecules. TGA analysis gave evidence of a changed thermal stability. With ML analysis, the considerable mass loss was quantified. The results of the five complementary analytical methods show how heavy ion irradiation changes the molecular structure of the polymers. Molecular degradation mechanisms are postulated. The amount of radiation damage is found to be sensitive to the used type of ionic

  5. 700 keV Ni{sup +2} ions induced modification in structural, surface, magneto-optic and optical properties of ZnO thin films

    Energy Technology Data Exchange (ETDEWEB)

    Fiaz Khan, M. [Laser and Optronics Centre, Department of Physics, University of Engineering and Technology, Lahore (Pakistan); Siraj, K., E-mail: khurram.uet@gmail.com [Laser and Optronics Centre, Department of Physics, University of Engineering and Technology, Lahore (Pakistan); Anwar, M.S. [Department of Physics, Syed Babar Ali School of Science and Engineering, Lahore University of Management Sciences (LUMS), Opposite Sector U, D.H.A. Lahore 54792 (Pakistan); Irshad, M. [Laser and Optronics Centre, Department of Physics, University of Engineering and Technology, Lahore (Pakistan); Hussain, J. [National Centre for Physics, Islamabad (Pakistan); Faiz, H.; Majeed, S. [Laser and Optronics Centre, Department of Physics, University of Engineering and Technology, Lahore (Pakistan); Dosmailov, M.; Patek, J.; Pedarnig, J.D. [Institute of Applied Physics, Johannes Kepler University Linz (Austria); Rafique, M.S. [Laser and Optronics Centre, Department of Physics, University of Engineering and Technology, Lahore (Pakistan); Naseem, S. [Center of Excellence in Solid State Physics, University of Punjab, Lahore (Pakistan)

    2016-02-01

    Highlights: • 700 keV ion irradiation on ZnO thin films was done at different ion fluence. • XRD results showed improved crystallinity. • At lower fluence the microparticles were observed whereas ZnO micro rods were observed at higher fluences. • The Verdet constant and optical band gap energy of ZnO thin films are also well modified. - Abstract: We investigate the effect of 700 keV Ni{sup +2} ions irradiation at different ion fluences (1 × 10{sup 13}, 1 × 10{sup 14}, 2 × 10{sup 14}, 5 × 10{sup 14} ions/cm{sup 2}) on the structural, surface, magneto-optic and optical properties of ZnO thin films. The X-ray diffraction (XRD) results show improved crystallinity when ion fluence is increased to 2 × 10{sup 14} ions/cm{sup 2}, while deterioration is observed at the highest ion fluence of 5 × 10{sup 14} ions/cm{sup 2}. Scanning electron micrographs (SEM) show the formation of small grains at ion fluence 1 × 10{sup 13} ions/cm{sup 2}, micro-rods at fluences 1 × 10{sup 14} and 2 × 10{sup 14} ions/cm{sup 2} and ultimate fracturing of thin film surface at ion fluence 5 × 10{sup 14} ions/cm{sup 2}. Faraday rotation measurements are also performed and show a decrease in Verdet constant from 53 to 31 rad/(T-m) when irradiated at 1 × 10{sup 13} ions/cm{sup 2}, increasing up to 45 rad/(T-m) at 2 × 10{sup 14} ions/cm{sup 2}, and then decreasing again to 36 rad/(T-m) at 5 × 10{sup 14} ions/cm{sup 2}. The optical band gap energy of the films is determined using spectroscopic ellipsometry, which shows an increase in optical band gap energy (E{sub g}) from 3.04 eV to 3.19 eV when the fluence increases to 2 × 10{sup 14} ions/cm{sup 2} and a decrease to 3 eV at fluence 5 × 10{sup 14} ions/cm{sup 2}. We argue that these properties can be explained using ion heating effect of thin films.

  6. Study on swift heavy ions induced modifications of Ag-ZnO nanocomposite thin film

    Science.gov (United States)

    Singh, S. K.; Singhal, R.; Siva Kumar, V. V.

    2017-03-01

    In the present work, swift heavy ion (SHI) irradiation induced modifications in structural and optical properties of Ag-ZnO nanocomposite thin films have been investigated. Ag-ZnO nanocomposite (NCs) thin films were synthesized by RF magnetron sputtering technique and irradiated with 100 MeV Ag7+ ions at three different fluences 3 × 1012, 1 × 1013 and 3 × 1013 ions/cm2. Rutherford Backscattering Spectrometry revealed Ag concentration to be ∼8.0 at.%, and measured thickness of the films was ∼55 nm. Structural properties of pristine and irradiated films have been analyzed by X-ray diffraction analysis and found that variation in crystallite size of the film with ion irradiation. X-ray photoelectron spectroscopy (XPS) indicates the formation of Ag-ZnO nanocomposite thin film with presence of Ag, Zn and O elements. Oxidation state of Ag and Zn also estimated by XPS analysis. Surface plasmon resonance (SPR) of Ag nanoparticle has appeared at ∼475 nm in the pristine thin film, which is blue shifted by ∼30 nm in film irradiated at fluence of 3 × 1012 ions/cm2 and completely disappeared in film irradiated at higher fluences, 1 × 1013 and 3 × 1013 ions/cm2. A marginal change in the optical band gap of Ag-ZnO nanocomposite thin film is also found with increasing ion fluence. Surface morphology of pristine and irradiated films have been studied using Atomic Force Microscopy (AFM). Raman and Photo-luminance (PL) spectra of nanocomposite thin films have been investigated to understand the ion induced modifications such as lattice defects and disordering in the nanocomposite thin film.

  7. 100 MeV silver ions induced defects and modifications in silica glass

    Energy Technology Data Exchange (ETDEWEB)

    Jadhav, Vijay S.; Deore, Avinash V.; Dahiwale, S.S. [Department of Physics, University of Pune, Pune 411007 (India); Kanjilal, D. [Inter University Accelerator Centre, New Delhi 110067 (India); Bhoraskar, V.N. [Department of Physics, University of Pune, Pune 411007 (India); Dhole, S.D., E-mail: sanjay@physics.unipune.ac.in [Department of Physics, University of Pune, Pune 411007 (India)

    2014-07-15

    Highlights: •Study of silver ion induced defects and modifications in silica glass. •Variation in oxygen deficiency centres (ODA-II) and nonbridging oxygen hole centres (NBOHC). •Study of structural damage in terms of Urbach energy. -- Abstract: A few silica glass samples having 1 cm{sup 2} area and 0.1 cm thickness were irradiated with 100 MeV energy Ag{sup 7+} ions for the fluences ranging from 1 × 10{sup 12} ions/cm{sup 2} to 5 × 10{sup 13} ions/cm{sup 2}. The optical properties and the corresponding induced defects were characterised by the techniques such as UV–Visible, Photoluminescence (PL), Fourier transform infrared (FTIR), and Electron spin resonance (ESR) spectroscopy. The UV–Visible absorption spectra show two peaks, one at 5 eV and another weak peak at 5.8 eV. A peak observed at 5.0 eV corresponds to B{sub 2} band (oxygen deficiency in SiO{sub 2} network) and the peak at 5.8 eV is due to the paramagnetic defects like E′ centre. The intensities of these peaks found to be increased with increase in ion fluence. It attributes to the increase in the concentration of E′ centres and B{sub 2} band respectively. In addition, the optical band gap energy, Urbach energy and the defects concentration have been calculated using Urbach plot. The optical band gap found to be decreased from 4.65 eV to 4.39 eV and the Urbach energy found to be increased from 60 meV to 162 meV. The defect concentration of nonbridging oxygen hole centres (NBOHC) and E′ centres are found to be increased to 1.69 × 10{sup 13} cm{sup −3} and 3.134 × 10{sup 14} cm{sup −3} respectively. In PL spectra, the peak appeared at 1.92 eV and 2.7 eV envisage the defects of nonbridging oxygen hole centres and B{sub 2α} oxygen deficient centres respectively. ESR spectra also confirms the existence of E′ and NBOHC centres. FTIR spectra shows scissioning of Si-O-Si bonds and the formation of Si-H and Si-OH bonds, which supports to the co-existence of the defects induced by Ag

  8. A new setup for the investigation of swift heavy ion induced particle emission and surface modifications

    Energy Technology Data Exchange (ETDEWEB)

    Meinerzhagen, F.; Breuer, L.; Bukowska, H.; Herder, M.; Schleberger, M.; Wucher, A. [Fakultät für Physik, Universität Duisburg-Essen and Cenide, 47057 Duisburg (Germany); Bender, M.; Severin, D. [GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Lebius, H. [CIMAP (CEA-CNRS-ENSICAEN-UCN), 14070 Caen Cedex 5 (France)

    2016-01-15

    The irradiation with fast ions with kinetic energies of >10 MeV leads to the deposition of a high amount of energy along their trajectory (up to several ten keV/nm). The energy is mainly transferred to the electronic subsystem and induces different secondary processes of excitations, which result in significant material modifications. A new setup to study these ion induced effects on surfaces will be described in this paper. The setup combines a variable irradiation chamber with different techniques of surface characterizations like scanning probe microscopy, time-of-flight secondary ion, and neutral mass spectrometry, as well as low energy electron diffraction under ultra high vacuum conditions, and is mounted at a beamline of the universal linear accelerator (UNILAC) of the GSI facility in Darmstadt, Germany. Here, samples can be irradiated with high-energy ions with a total kinetic energy up to several GeVs under different angles of incidence. Our setup enables the preparation and in situ analysis of different types of sample systems ranging from metals to insulators. Time-of-flight secondary ion mass spectrometry enables us to study the chemical composition of the surface, while scanning probe microscopy allows a detailed view into the local electrical and morphological conditions of the sample surface down to atomic scales. With the new setup, particle emission during irradiation as well as persistent modifications of the surface after irradiation can thus be studied. We present first data obtained with the new setup, including a novel measuring protocol for time-of-flight mass spectrometry with the GSI UNILAC accelerator.

  9. A new setup for the investigation of swift heavy ion induced particle emission and surface modifications

    Science.gov (United States)

    Meinerzhagen, F.; Breuer, L.; Bukowska, H.; Bender, M.; Severin, D.; Herder, M.; Lebius, H.; Schleberger, M.; Wucher, A.

    2016-01-01

    The irradiation with fast ions with kinetic energies of >10 MeV leads to the deposition of a high amount of energy along their trajectory (up to several ten keV/nm). The energy is mainly transferred to the electronic subsystem and induces different secondary processes of excitations, which result in significant material modifications. A new setup to study these ion induced effects on surfaces will be described in this paper. The setup combines a variable irradiation chamber with different techniques of surface characterizations like scanning probe microscopy, time-of-flight secondary ion, and neutral mass spectrometry, as well as low energy electron diffraction under ultra high vacuum conditions, and is mounted at a beamline of the universal linear accelerator (UNILAC) of the GSI facility in Darmstadt, Germany. Here, samples can be irradiated with high-energy ions with a total kinetic energy up to several GeVs under different angles of incidence. Our setup enables the preparation and in situ analysis of different types of sample systems ranging from metals to insulators. Time-of-flight secondary ion mass spectrometry enables us to study the chemical composition of the surface, while scanning probe microscopy allows a detailed view into the local electrical and morphological conditions of the sample surface down to atomic scales. With the new setup, particle emission during irradiation as well as persistent modifications of the surface after irradiation can thus be studied. We present first data obtained with the new setup, including a novel measuring protocol for time-of-flight mass spectrometry with the GSI UNILAC accelerator.

  10. Swift heavy ion induced surface modifications in nano-crystalline Li-Mg ferrite thin films

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, Sanjukta [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India) and Department of Physics, University of Calcutta, 92 A.P.C. Road, Kolkata 700009 (India)]. E-mail: sanjukta@iopb.res.in; Ganesan, V. [Inter University Consortium for DAE facilities, Khandwa Road, Indore 452017 (India); Khan, S.A. [Nuclear Science Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Ayyub, Pushan [Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India); Kumar, Nitendar [Solid State Physics Laboratory, DRDO, Lucknow Road, Delhi 110054 (India)

    2006-09-30

    The swift heavy ion (190 MeV Au{sup 14+}) induced modifications in surface morphologies of the nanocrystals of ferrite thin films have been extensively studied through the images of atomic force microscopy (AFM). In most of the irradiated films significant features like, the ditch and dike structures, have been observed through out the surface. We try to explain the observed changes on the basis of thermal spike model followed by momentum transfer induced lateral mass transport. In addition to these changes some new and interesting features have been noticed after irradiation in 8F and 9F ferrite thin films. These new features are attributed to sputtering phenomenon due to the presence of defects like latent tracks.

  11. Ion induced changes in the structure of bordered pit membranes.

    Science.gov (United States)

    Lee, Jinkee; Holbrook, N Michele; Zwieniecki, Maciej A

    2012-01-01

    Ion-mediated changes in xylem hydraulic resistance are hypothesized to result from hydrogel like properties of pectins located in the bordered pit membranes separating adjacent xylem vessels. Although the kinetics of the ion-mediated changes in hydraulic resistance are consistent with the swelling/deswelling behavior of pectins, there is no direct evidence of this activity. In this report we use atomic force microscopy (AFM) to investigate structural changes in bordered pit membranes associated with changes in the ionic concentration of the surrounding solution. When submerged in de-ionized water, AFM revealed bordered pit membranes as relatively smooth, soft, and lacking any sharp edges surface, in contrast to pictures from scanning electron microscope (SEM) or AFM performed on air-dry material. Exposure of the bordered pit membranes to 50 mM KCl solution resulted in significant changes in both surface physical properties and elevation features. Specifically, bordered pit membranes became harder and the fiber edges were clearly visible. In addition, the membrane contracted and appeared much rougher due to exposed microfibers. In neither solution was there any evidence of discrete pores through the membrane whose dimensions were altered in response to the ionic composition of the surrounding solution. Instead the variable hydraulic resistance appears to involve changes in the both the permeability and the thickness of the pit membrane.

  12. Ion induced changes in the structure of bordered pit membranes

    Directory of Open Access Journals (Sweden)

    Jinkee eLee

    2012-03-01

    Full Text Available Xylem hydraulic resistance varies with ion concentration in sap solution. It is assumed that this variation in resistance results from hydrogel like properties of pectins located in bordered pit membranes separating adjacent vessels. Although kinetics of the resistance change suggests swelling/deswelling behavior of the pectins, there is no direct evidence of this activity. In this report we provide evidence of structural changes in bordered pit membranes responding to variation in ionic concentration of solute around it using atomic force microscopy (AFM. AFM revealed bordered pit membranes as relatively smooth, soft and lacking any sharp edges surface when submerged in de-ionized water, in contrast to pictures from scanning electron microscope (SEM or AFM performed on air dry material. Exposure of the bordered pit membranes to 50 mM KCl solution resulted in significant changes in both surface physical properties with and elevation features as bordered pit membrane became harder, with visible edges of fibers and collapsed, while no change in porosity was observed. Analysis suggests a need for a major shift in our understanding to the physical bases of variable xylem resistance from change in porosity to change in pathway length. Findings support the role of actuating properties of hybrid hydrogel-cellulose materials in water redistribution and embolism resistance.

  13. Heavy-ion induced modification of lithium fluoride observed by scanning force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, A.; Neumann, R.; Schwartz, K.; Steckenreiter, T.; Trautmann, C.

    1997-12-01

    To study ion-induced damages in single crystals of lithium fluoride with scanning force microscopy (SFM), samples were irradiated with several heavy-ion species of a kinetic energy of 11.4 MeV per nucleon at the linear accelerator UNILAC of GSI. As concluded from a previous analysis of ion tracks in LiF by optical absorption spectroscopy and small-angle X-ray scattering, single point defects occur in a track halo with a radius of about 15-30 nm, whereas defect aggregates are formed in a track core region possessing a radius of only about 1-2 nm. These aggregates can be attacked by chemical etching if the energy loss along the ion trajectory surpasses a critical value of about 1 keV/Aa. SFM images of etched as well as unetched sample surfaces revealed new damage characteristics: Etched ion track profiles directed parallel to the ion trajectories exhibit a sequence of single etch pits with an average distance of about 140 nm. After exposure to heavy-ion irradiation at normal incidence, the unetched LiF surface is covered with round hillocks with a mean diameter of 55(8) nm and heights in the order of 3 nm. (orig.)

  14. Modification of the Near Surface Region Metastable Phases and Ion Induced Reactions

    Science.gov (United States)

    1984-02-03

    system, the Au-rich alloys exhibited a fcc structure while the V-rich alloys exhibited a bcc structure. In the present work, we report experimental...formed; Al and Pt have the same fcc structure , whereas amorphous alloys are observed over a wide range of composition. It appears that a systematic survey...of superlattice reflections in the diffraction patterns. These superlattice reflections have mixed khl indices which are not permitted for the fcc

  15. SHIPS: A new setup for the investigation of swift heavy ion induced particle emission and surface modifications

    CERN Document Server

    Meinerzhagen, Florian; Bukowska, Hanna; Bender, Markus; Severin, Daniel; Herder, Matthias; Lebius, Henning; Schleberger, Marika; Wucher, Andreas

    2015-01-01

    The irradiation with fast ions with kinetic energies of > 10 MeV leads to the deposition of a high amount of energy along their trajectory (up to several ten keV/nm). The energy is mainly transferred to the electronic subsystem and induces different secondary processes of excitations which result in significant material modifications. A new setup to study these ion induced effects on surfaces will be described in this paper. The setup combines a variable irradiation chamber with different techniques of surface characterizations like scanning probe microscopy, time-of-flight secondary ion and neutral mass spectrometry, as well as low energy electron diffraction under ultra high vacuum conditions, and is mounted at a beamline of the universal linear accelerator (UNILAC) of the GSI facility in Darmstadt, Germany. Here, samples can be irradiated with high-energy ions with a total kinetic energy up to several GeVs under different angles of incidence. Our setup enables the preparation and in-situ analysis of differ...

  16. Structural dynamic modification

    Indian Academy of Sciences (India)

    A Sestieri

    2000-06-01

    Vibration and acoustic requirements are becoming increasingly important in the design of mechanical structures, but they are not usually of primary concern in the design process. So the need to vary the structural behaviour to solve noise and vibration problems often occurs at the prototype stage, giving rise to the so-called structural modification problem. In this paper, the direct problem of determing the new response of a system, after some modifications are introduced into the sestem, is analysed using two different databases: the modal database and the frequency response function database. The limitaions of the modal database are discussed. Structural modifications that can be accounted for are lumped masses, springs, dampers and dynamic absorbers.

  17. Ag7+ ion induced modification of morphology, optical and luminescence behaviour of charge compensated CaMoO4 nanophosphor

    Science.gov (United States)

    Dutta, S.; Som, S.; Kunti, A. K.; Sharma, S. K.; Kumar, Vijay; Swart, H. C.; Visser, H. G.

    2016-10-01

    The present paper reports on the swift heavy ion (SHI) induced structural, optical and luminescence properties of CaMoO4:Dy3+/K+ nanophosphor synthesized via hydrothermal route. Herein 100 MeV Ag7+ ion beam was used varying fluence from 1 × 1011 to 1 × 1013 ions/cm2. The depth profile of the Ag7+ ions was estimated using SRIM code. XRD and FESEM results revealed the loss of crystallinity and reduction in particle size after SHI irradiations. The XPS technique confirmed the stability of oxidation states of the elements. Reflectance spectra exhibited a red shift in the absorption band, followed by a decrease in band gap. Decrease in the intensity of the photoluminescence peaks without any change in band positions was also obtained after ion irradiation. The thermoluminescence (TL) characteristics were discussed in detail, and the trapping parameter was calculated. The results were compared on the grounds of linear energy transfer of the irradiated ions.

  18. Structural dynamic modifications via models

    Indian Academy of Sciences (India)

    T K Kundra

    2000-06-01

    Structural dynamic modification techniques attempt to reduce dynamic design time and can be implemented beginning with spatial models of structures, dynamic test data or updated models. The models assumed in this discussion are mathematical models, namely mass, stiffness, and damping matrices of the equations of motion of a structure. These models are identified/extracted from dynamic test data viz. frequency response functions (FRFs). Alternatively these models could have been obtained by adjusting or updating the finite element model of the structure in the light of the test data. The methods of structural modification for getting desired dynamic characteristics by using modifiers namely mass, beams and tuned absorbers are discussed.

  19. Structural changes of DNA in heavy ion-induced mutants on Arabidopsis

    Energy Technology Data Exchange (ETDEWEB)

    Tano, S.; Shikazono, N.; Tanaka, A.; Yokota, Y.; Watanabe, H. [Japan Atomic Research Research Inst., Watanuki, Takasaki (Japan). Advanced Science Research Center

    1997-09-01

    In order to investigate the frequency of structural changes induced by high LET radiation in plants, a comparison was made between DNA fragments amplified by the polymerase chain reaction (PCR) from C ion- and electron-induced Arabidopsis mutants at GL and TT loci. (orig./MG)

  20. Swift heavy ion induced structural and luminescence characterization of Y₂O₃:Eu³⁺ phosphor: a comparative study.

    Science.gov (United States)

    Som, S; Sharma, S K; Lochab, S P

    2014-08-01

    We report a comparative study on structural and thermoluminescence modifications of Y2O3:Eu(3+) phosphor induced by 150 MeV Ni(7+), 120 MeV Ag(9+) and 110 MeV Au(8+) swift heavy ions (SHI) in the fluence range 1 × 10(11) to 1 × 10(13) ions/cm(2). X-Ray diffraction and transition electron microscopy studies confirm the loss of crystallinity of the phosphors after ion irradiation, which is greater in the case of Au ion irradiation. Structural refinement using the Rietveld method yields the various structural parameters of ion-irradiated phosphors. Thermoluminescence glow curves of ion-irradiated phosphors show a small shift in the position of the peaks, along with an increase in intensity with ion fluence. Stopping range of ions in Matter (SRIM) calculations were performed to correlate the change in thermoluminescence properties of various ion-irradiated phosphors. It shows that the defects created by 110 MeV Au(8+) ions are greater in number. Trapping parameters of ion-irradiated phosphors were calculated from thermoluminescence data using various glow curve analysis methods.

  1. Structural dynamic modification using additive damping

    Indian Academy of Sciences (India)

    B C Nakra

    2000-06-01

    In order to control dynamic response in structures and machines, modofications using additive viscoelastic damping materials are highlighted. The techniques described for analysis include analytical methods for structural elements, FEM and perturbation methods for reanalysis or structural dynamic modifications for complex structures. Optimisation techniques are used for damping effectiveness include multi-parameter optimisatoin techniques and a technique using dynamic sensitivity analysis and structural dynamic modification. These have been applied for optimum dynamic design of structures incorporating viscoelastic damping. Some current trends for vibraton control are also discussed.

  2. Photothermal modification of plasmonic structures

    DEFF Research Database (Denmark)

    2016-01-01

    There is presented a method for geometrically modifying plasmonic structures on a support structure, such as for printing or recording, said method comprising changing a geometry specifically of plasmonic structures, wherein said changing the geometry is carried out by photothermally melting...

  3. Subtractive Structural Modification of Morpho Butterfly Wings.

    Science.gov (United States)

    Shen, Qingchen; He, Jiaqing; Ni, Mengtian; Song, Chengyi; Zhou, Lingye; Hu, Hang; Zhang, Ruoxi; Luo, Zhen; Wang, Ge; Tao, Peng; Deng, Tao; Shang, Wen

    2015-11-11

    Different from studies of butterfly wings through additive modification, this work for the first time studies the property change of butterfly wings through subtractive modification using oxygen plasma etching. The controlled modification of butterfly wings through such subtractive process results in gradual change of the optical properties, and helps the further understanding of structural optimization through natural evolution. The brilliant color of Morpho butterfly wings is originated from the hierarchical nanostructure on the wing scales. Such nanoarchitecture has attracted a lot of research effort, including the study of its optical properties, its potential use in sensing and infrared imaging, and also the use of such structure as template for the fabrication of high-performance photocatalytic materials. The controlled subtractive processes provide a new path to modify such nanoarchitecture and its optical property. Distinct from previous studies on the optical property of the Morpho wing structure, this study provides additional experimental evidence for the origination of the optical property of the natural butterfly wing scales. The study also offers a facile approach to generate new 3D nanostructures using butterfly wings as the templates and may lead to simpler structure models for large-scale man-made structures than those offered by original butterfly wings.

  4. Progress on nuclear modifications of structure functions

    CERN Document Server

    Kumano, S

    2016-01-01

    We report progress on nuclear structure functions, especially on their nuclear modifications and a new tensor structure function for the deuteron. To understand nuclear structure functions is an important step toward describing nuclei and QCD matters from low to high densities and from low to high energies in terms of fundamental quark and gluon degrees of freedom beyond conventional hadron and nuclear physics. It is also practically important for understanding new phenomena in high-energy heavy-ion collisions at RHIC and LHC. Furthermore, since systematic errors of current neutrino-oscillation experiments are dominated by uncertainties of neutrino-nucleus interactions, such studies are valuable for finding new physics beyond current framework. Next, a new tensor-polarized structure function $b_1$ is discussed for the deuteron. There was a measurement by HERMES; however, its data are inconsistent with the conventional convolution estimate based on the standard deuteron model with D-state admixture. This fact ...

  5. Progress on nuclear modifications of structure functions

    Directory of Open Access Journals (Sweden)

    Kumano S.

    2016-01-01

    Full Text Available We report progress on nuclear structure functions, especially on their nuclear modifications and a new tensor structure function for the deuteron. To understand nuclear structure functions is an important step toward describing nuclei and QCD matters from low to high densities and from low to high energies in terms of fundamental quark and gluon degrees of freedom beyond conventional hadron and nuclear physics. It is also practically important for understanding new phenomena in high-energy heavy-ion collisions at RHIC and LHC. Furthermore, since systematic errors of current neutrinooscillation experiments are dominated by uncertainties of neutrino-nucleus interactions, such studies are valuable for finding new physics beyond current framework. Next, a new tensor-polarized structure function b1 is discussed for the deuteron. There was a measurement by HERMES; however, its data are inconsistent with the conventional convolution estimate based on the standard deuteron model with D-state admixture. This fact suggests that a new hadronic phenomenon should exist in the tensor-polarized deuteron at high energies, and it will be experimentally investigated at JLab from the end of 2010’s.

  6. Seismic force modification factor for ductile structures

    Institute of Scientific and Technical Information of China (English)

    TONG Gen-shu; HUANG Jin-qiao

    2005-01-01

    The earthquake forces used in design codes of buildings should be theoretically determinable. This work examines the seismic force modification factor R based on elastic-plastic time-history earthquake analysis of SDOF systems, wherein the hysteresis models are elastic-perfectly-plastic (EPP), elastic-linearly-hardening (ELH), shear-slipped and bilinear-elastic. The latter two models are analysed for separating the effect of the ductility and the energy-dissipating capacity. Three-hundred eighty-eight earthquake records from different site conditions are used in analysis. The ductility is taken to be 2, 3, 4, 5 and 6, with the damping ratio being 0.02, 0.035 and 0.05 respectively. The post-yield stiffness ratios 0.0, 0.1 and 0.2 are used in the analysis. The R spectra are standardized by the characteristic period of the earthquake records, which leads to a much smaller scatter in averaged numerical results. It was found that the most important factor determining R is the ductility. R increases more than linearly with ductility. The energy-dissipating capacity, damping and the post-yield stiffness are the less important factors. The energy dissipating capacity is important only for structures with short period and moderate period (0.3≤T/Tg<5.0). For EPP and ELH models, R for 0.05 damping is 10% to 15% smaller than for 0.02 damping. For EPP and ELH models, greater post-yield stiffness leads to greater R, but the influence of post-yield stiffness is obvious only when the post-yield stiffness is less than 10% of the initial stiffness. By means of statistical regression analysis the relation of the seismic force modification factor R with the natural period of the system and ductility for EPP and ELH models were established for each site and soil condition.

  7. Atmospheric Ion-induced Aerosol Nucleation

    Science.gov (United States)

    Curtius, J.; Lovejoy, E. R.; Froyd, K. D.

    2006-08-01

    Ion-induced nucleation has been suggested to be a potentially important mechanism for atmospheric aerosol formation. Ions are formed in the background atmosphere by galactic cosmic rays. A possible connection between galactic cosmic rays and cloudiness has been However, the predictions of current atmospheric nucleation models are highly uncertain because the models are usually based on the liquid drop model that estimates cluster thermodynamics based on bulk properties (e.g., liquid drop density and surface tension). Sulfuric acid (H2SO4) and water are assumed to be the most important nucleating agents in the free troposphere. Measurements of the molecular thermodynamics for the growth and evaporation of cluster ions containing H2SO4 and H2O were performed using a temperature-controlled laminar flow reactor coupled to a linear quadrupole mass spectrometer as well as a temperature-controlled ion trap mass spectrometer. The measurements were complemented by quantum chemical calculations of the cluster ion structures. The analysis yielded a complete set of H2SO4 and H2O binding thermodynamics extending from molecular cluster ions to the bulk, based on experimental thermodynamics for the small clusters. The data were incorporated into a kinetic aerosol model to yield quantitative predictions of the rate of ion-induced nucleation for atmospheric conditions. The model predicts that the negative ion-H2SO4-H2O nucleation mechanism is an efficient source of new particles in the middle and upper troposphere.

  8. Chemical and structural effects of base modifications in messenger RNA

    Science.gov (United States)

    Harcourt, Emily M.; Kietrys, Anna M.; Kool, Eric T.

    2017-01-01

    A growing number of nucleobase modifications in messenger RNA have been revealed through advances in detection and RNA sequencing. Although some of the biochemical pathways that involve modified bases have been identified, research into the world of RNA modification -- the epitranscriptome -- is still in an early phase. A variety of chemical tools are being used to characterize base modifications, and the structural effects of known base modifications on RNA pairing, thermodynamics and folding are being determined in relation to their putative biological roles.

  9. Ion induced dipole clusters H(n)- (3 ≤ n-odd ≤ 13): density functional theory calculations of structure and energy.

    Science.gov (United States)

    Huang, Lulu; Matta, Chérif F; Massa, Lou

    2011-11-17

    We investigate anew the possible equilibrium geometries of ion induced dipole clusters of hydrogen molecular ions, of molecular formula H(n)(-) (3 ≤ n-odd ≤ 13). Our previous publications [Sapse, A. M.; et al. Nature 1979, 278, 332; Rayez, J. C.; et al., J. Chem. Phys. 1981, 75, 5393] indicated these molecules would have a shallow minimum and adopt symmetrical geometries that accord with the valence shell electron pair repulsion (VSEPR) rules for geometries defined by electron pairs surrounding a central point of attraction. These earlier calculations were all based upon Hartree-Fock (HF) calculations with a fairly small basis of atomic functions, except for the H3(-) ion for which configuration interaction (CI) calculations were carried out. A related paper [Hirao, K.; et al., Chem. Phys. 1983, 80, 237] carried out similar calculations on the same clusters, finding geometries similar to our earlier calculations. However, although that paper argued that the stabilization energy of negative ion clusters H(n)(-) is small, vibration frequencies for the whole set of clusters was not reported, and so a definitive assertion of a true equilibrium was not present. In this paper we recalculate the energetics of the ion induced dipole clusters using density function theory (DFT) B3LYP method calculations in a basis of functions (6-311++G(d,p)). By calculating the vibration frequencies of the VSEPR geometries, we prove that in general they are not true minima because not all the resulting frequencies correspond to real values. By searching the energy surface of the B3LYP calculations, we find the true minimum geometries, which are surprising configurations and are perhaps counterintuitive. We calculate the total energy and binding energy of the new geometries. We also calculate the bond paths associated with the quantum theory of atoms in molecules (QTAIM). The B3LYP/6-311++G(d,p) results, for each molecule, deliver bond paths that radiate between each polarized H2

  10. The role of ammonia in sulfuric acid ion induced nucleation

    Directory of Open Access Journals (Sweden)

    I. K. Ortega

    2008-06-01

    Full Text Available We have developed a new multi-step strategy for quantum chemical calculations on atmospherically relevant cluster structures that makes calculation for large clusters affordable with a good accuracy-to-computational effort ratio. We have applied this strategy to evaluate the relevance of ternary ion induced nucleation; we have also performed calculations for neutral ternary nucleation for comparison. The results for neutral ternary nucleation agree with previous results, and confirm the important role of ammonia in enhancing the growth of sulfuric acid clusters. On the other hand, we have found that ammonia does not enhance the growth of ionic sulfuric acid clusters. The results also confirm that ion-induced nucleation is a barrierless process at high altitudes, but at ground level there exists a barrier due to the presence of a local minimum on the free energy surface.

  11. Structure and Dynamics Study of LeuT Using the Markov State Model and Perturbation Response Scanning Reveals Distinct Ion Induced Conformational States.

    Science.gov (United States)

    Asciutto, Eliana K; Gedeon, Patrick C; General, Ignacio J; Madura, Jeffry D

    2016-08-25

    The bacterial leucine transporter (LeuT), a close homologue of the eukaryote monoamine transporters (MATs), currently serves as a powerful template for computer simulations of MATs. Transport of the amino acid leucine through the membrane is made possible by the sodium electrochemical potential. Recent reports indicate that the substrate transport mechanism is based on structural changes such as hinge movements of key transmembrane domains. In order to further investigate the role of sodium ions in the uptake of leucine, here we present a Markov state model analysis of atomistic simulations of lipid embedded LeuT in different environments, generated by varying the presence of binding pocket sodium ions and substrate. Six metastable conformations are found, and structural differences between them along with transition probabilities are determined. We complete the analysis with the implementation of perturbation response scanning on our system, determining the most sensitive and influential regions of LeuT, in each environment. Our results show that the occupation of sites Na1 and Na2, along with the presence of the substrate, selectively influences the geometry of LeuT. In particular, the occupation of each site Na1/Na2 has strong effects (in terms of changes in influence and/or sensitivity, as compared to the case without ions) in specific regions of LeuT, and the effects are different for simultaneous occupation. Our results strengthen the rationale and provide a conformational mechanism for a putative transport mechanism in which Na2 is necessary, but may not be sufficient, to initiate and stabilize extracellular substrate access to the binding pocket.

  12. Structure and Modification of Electrode Materials for Protein Electrochemistry.

    Science.gov (United States)

    Jeuken, Lars J C

    The interactions between proteins and electrode surfaces are of fundamental importance in bioelectrochemistry, including photobioelectrochemistry. In order to optimise the interaction between electrode and redox protein, either the electrode or the protein can be engineered, with the former being the most adopted approach. This tutorial review provides a basic description of the most commonly used electrode materials in bioelectrochemistry and discusses approaches to modify these surfaces. Carbon, gold and transparent electrodes (e.g. indium tin oxide) are covered, while approaches to form meso- and macroporous structured electrodes are also described. Electrode modifications include the chemical modification with (self-assembled) monolayers and the use of conducting polymers in which the protein is imbedded. The proteins themselves can either be in solution, electrostatically adsorbed on the surface or covalently bound to the electrode. Drawbacks and benefits of each material and its modifications are discussed. Where examples exist of applications in photobioelectrochemistry, these are highlighted.

  13. Nonparametric identification of structural modifications in Laplace domain

    Science.gov (United States)

    Suwała, G.; Jankowski, Ł.

    2017-02-01

    This paper proposes and experimentally verifies a Laplace-domain method for identification of structural modifications, which (1) unlike time-domain formulations, allows the identification to be focused on these parts of the frequency spectrum that have a high signal-to-noise ratio, and (2) unlike frequency-domain formulations, decreases the influence of numerical artifacts related to the particular choice of the FFT exponential window decay. In comparison to the time-domain approach proposed earlier, advantages of the proposed method are smaller computational cost and higher accuracy, which leads to reliable performance in more difficult identification cases. Analytical formulas for the first- and second-order sensitivity analysis are derived. The approach is based on a reduced nonparametric model, which has the form of a set of selected structural impulse responses. Such a model can be collected purely experimentally, which obviates the need for design and laborious updating of a parametric model, such as a finite element model. The approach is verified experimentally using a 26-node lab 3D truss structure and 30 identification cases of a single mass modification or two concurrent mass modifications.

  14. Structural modification of nanocrystalline ceria by ion beams.

    Science.gov (United States)

    Zhang, Yanwen; Edmondson, Philip D; Varga, Tamas; Moll, Sandra; Namavar, Fereydoon; Lan, Chune; Weber, William J

    2011-07-07

    Exceptional size-dependent electronic-ionic conductivity of nanostructured ceria can significantly alter materials properties in chemical, physical, electronic and optical applications. Using energetic ions, we have demonstrated effective modification of interface volume and grain size in nanocrystalline ceria from a few nm up to ∼25 nm, which is the critical region for controlling size-dependent material property. The grain size increases and follows an exponential law as a function of ion fluence that increases with temperature, while the cubic phase is stable under the irradiation. The unique self-healing response of radiation damage at grain boundaries is utilized to control the grain size at the nanoscale. Structural modification by energetic ions is proposed to achieve desirable electronic-ionic conductivity.

  15. Crown structure modifications in relation to air pollution

    Energy Technology Data Exchange (ETDEWEB)

    Bussotti, Filippo (Laboratory of Forest Botany, Department of Plant Biology, University of Florence, (Italy)); Brogi, Lamberto (Agriculture and Forestry Department, Florence, (Italy)); Grossoni, Paolo (Institute of Silviculture, University of Florence, (Italy)); Cozzi, Alberto (Linnaea-ambiente s.r.l., Florence, (Italy)); Gellini, Romano (Laboratory of Forest Botany, Department of Plant Biology, University of Florence (Italy))

    1993-07-01

    Analysis of crown structure and crown modifications plays a role of primary importance in surveys of 'new types of forest damage', since it is a decisive parameter in assessing the health status of a tree. Several forms of ramification alterations have been described in central and northern European species (Norway spruce, beech, Durmast oak, English oak, birch). This study examines the situation in Tuscany and offers a description of the alterations found in the main species typical of the Mediterranean region (Turkey oak, pubescent oak, holm oak, stone pine). The article discusses the potential impact of these alterations on the most typical forest formations, the ones which characterize the Tuscan landscape, and it describes the modifications already under way.

  16. Estradiol protective role in atherogenesis through LDL structure modification

    Science.gov (United States)

    Papi, Massimiliano; Brunelli, Roberto; Ciasca, Gabriele; Maiorana, Alessandro; Maulucci, Giuseppe; Palmieri, Valentina; Parasassi, Tiziana; De Spirito, Marco

    2016-07-01

    Relevant physiological functions are exerted by circulating low density lipoprotein (LDL) as well as eventual pathological processes triggering atherogenesis. Modulation of these functions can well be founded on modifications of LDL structure. Given its large dimension, multicomponent organization and strong interactions between the protein apoB-100 and lipids, determining LDL 3D structure remains a challenge. We propose a novel quantitative physical approach to this complex biological problem. We introduce a three-component model, fitted to small angle x-ray scattering data on LDL maintained in physiological conditions, able to achieve a consistent 3D structure. Unexpected features include three distinct protein domains protruding out of a sphere, quite rough in its surface, where several core lipid areas are exposed. All LDL components are affected by 17-β-estradiol (E2) binding to apoB-100. Mostly one of the three protruding protein domains, dramatically reducing its presence on the surface and with a consequent increase of core lipids’ exposure. This result suggests a structural basis for some E2 protecting roles and LDL physiological modifications.

  17. Organic modification of layered silicates. Structural and thermal characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Prado, L.A.S. de A.; Schulte, K. [Polymer Composites, Denickstrasse 15, TU Hamburg-Harburg, D-21073 Hamburg (Germany); Karthikeyan, C.S.; Nunes, S.P. [Institute of Chemistry, GKSS Research Centre, Max-Planck Strasse 1, D-21502 Geesthacht (Germany); De Torriani, Iris L. [Instituto de Fisica Gleb Wataghin, Universidade Estadual de Campinas, Cidade Universitaria Zeferino Vaz, CEP 13083-970, Campinas-SP (Brazil)

    2005-05-01

    Organic modification of natural and synthetic layered silicates namely montmorillonite and laponite is reported in this work. The modified silicates are being subsequently used in the preparation of nano-composite membranes based on ionomers for fuel cells application. Laponite, an entirely synthetic silicate, was modified using organosiloxanes containing imidazole groups. Two different strategies were adopted for modification: (a) swelling of the silicate in 2-butanone followed by functionalization using the siloxane at room temperature, (b) direct reaction between laponite and the organosiloxane in xylene at 120{sup o}C. Montmorillonite, a natural silicate, was supplied in the alkyl-ammonium form containing -OH groups. The modification of this silicate was conducted following the procedure (b). The structures of both plain and modified silicates were investigated by XRD showing that the interlayer distance (around 17A) was not affected during the functionalization of laponite. However, a noticeable increase in the interlayer distance from 18.0A to 24.5A was observed for the modified montmorillonite. This clearly shows the presence of polysiloxane chains in between the silicate layers. Further characterization showed that the modification of these silicates was in the range between 16% and 23% (molar percentage). TGA was done between 25 and 300{sup o}C in order to study the thermal degradation pattern of the silicates. The amount of adsorbed water could be determined from the results. The functionalization reduced the adsorption of water from 13.5% to 6.8% for laponite and from 8.5% to 4% for montmorillonite.

  18. Methylglyoxal-induced modifications of hemoglobin: structural and functional characteristics.

    Science.gov (United States)

    Bose, Tania; Bhattacherjee, Abhishek; Banerjee, Sauradipta; Chakraborti, Abhay Sankar

    2013-01-15

    Methylglyoxal (MG) reacts with proteins to form advanced glycation end products (AGEs). Although hemoglobin modification by MG is known, the modified protein is not yet characterized. We have studied the nature of AGE formed by MG on human hemoglobin (HbA(0)) and its effect on structure and function of the protein. After reaction of HbA(0) with MG, the modified protein (MG-Hb) was separated and its properties were compared with those of the unmodified protein HbA(0). As shown by MALDI-mass spectrometry, MG converted Arg-92α and Arg-104β to hydroimidazolones in MG-Hb. Compared to HbA(0), MG-Hb exhibited decreased absorbance around 280nm, reduced tryptophan fluorescence (excitation 285nm) and increased α-helix content. However, MG modification did not change the quaternary structure of the heme protein. MG-Hb appeared to be more thermolabile than HbA(0). The modified protein was found to be more effective than HbA(0) in H(2)O(2)-mediated iron release and oxidative damages involving Fenton reaction. MG-Hb exhibited less peroxidase activity and more esterase activity than HbA(0). MG-induced structural and functional changes of hemoglobin may enhance oxidative stress and associated complications, particularly in diabetes mellitus with increased level of MG.

  19. Jet structure modifications in heavy-ion collisions with JEWEL

    CERN Document Server

    Elayavalli, Raghav Kunnawalkam

    2016-01-01

    Key features of jet-medium interactions in heavy-ion collisions are modifications to the jet structure. Recent results from experiments at the LHC and RHIC have motivated several theoretical calculations and monte carlo models towards predicting these observables simultaneously. In this report, the recoil picture in \\textsc{Jewel} is summarized and two independent procedures through which background subtraction can be performed in \\textsc{Jewel} are introduced. Information of the medium recoil in \\textsc{Jewel} significantly improves its description of several jet shape measurements.

  20. Development and Structural Modification of BACE1 Inhibitors.

    Science.gov (United States)

    Gu, Ting; Wu, Wen-Yu; Dong, Ze-Xi; Yu, Shao-Peng; Sun, Ying; Zhong, Yue; Lu, Yu-Ting; Li, Nian-Guang

    2016-12-22

    Alzheimer's disease (AD) is a progressive neurodegenerative disorder which usually occurs in the elderly. The accumulation of β-amyloid and the formation of neurofibrillary tangles are considered as the main pathogenies of AD. Research suggests that β-secretase 1 (BACE1) plays an important role in the formation of β-amyloid. Discovery of new BACE1 inhibitors has become a significant method to slow down the progression of AD or even cure this kind of disease. This review summarizes the different types and the structural modification of these new BACE1 inhibitors.

  1. Do toxic ions induce hormesis in plants?

    Science.gov (United States)

    Poschenrieder, Charlotte; Cabot, Catalina; Martos, Soledad; Gallego, Berta; Barceló, Juan

    2013-11-01

    The concept of hormesis in plants is critically reviewed, taking growth stimulation by low concentrations of toxic trace elements as a reference. The importance of both non-adaptive and adaptive mechanisms underlying ion-induced hormetic growth responses is highlighted. The activation of defense mechanisms by metal ions and pathogenic elicitors and the cross talk between the signals induced by metal ions and biotic stressors are considered. The production of reactive oxygen species and, consequently, the induction of stress-induced antioxidants, are key mechanisms in metal ion-induced hormesis in plants. It is concluded that in the current scientific literature, hormesis is used as an "umbrella" term that includes a wide range of different mechanisms. It is recommended that the term hormesis be used in plant toxicology as a descriptive term for the stimulated phase in growth response curves that is induced by low concentrations of toxic metal ions without evidence of the underlying mechanisms. If the mechanisms underlying the stimulated growth phase have been identified, specific terms, such as amelioration, defense gene activation, priming or acclimation, should be used. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  2. A Unified Approach to Substructuring and Structural Modification Problems

    Directory of Open Access Journals (Sweden)

    Walter D’Ambrogio

    2004-01-01

    Full Text Available Substructures coupling is still an important tool in several applications of modal analysis, especially structural modification and structures assembling. The subject is particularly relevant in virtual prototyping of complex systems and responds to actual industrial needs. This paper analyzes the possibility of assembling together different substructures' models. The important role of rotational DoFs is highlighted, underlying the difficulty of assembling theoretical and experimental models, for which, usually, the rotational DoFs are not available. Expansion techniques can be used to provide this information as well as appropriate modelling of joints. With this information FRF models, modal models and FE models can be appropriately combined together and solutions for several cases of practical interest are presented. The analyzed procedures are tested on purpose-built benchmarks, showing limits and capabilities of each of them.

  3. Turbulence Modification Structures in an Upward Bubbly Pipe Flow

    Science.gov (United States)

    Tanaka, Tomohiko; Hishida, Koichi; Eaton, John

    2002-11-01

    The objective of this study is to investigate the mechanism of modification of turbulence in gas-liquid bubbly flow. We especially focused on the effect of void fraction and bubble diameter, which are important factors in turbulence modification. Fluid velocity was measured by applying PIV with fluorescent tracer particles, and bubble shapes and positions were obtained by the shadow-image technique. The experiment consisted of a fully developed vertical upward pipe flow with void fraction 0.5diameter is 2R=44mm and the Re=9700. In order to compare the effect of the bubble diameter at fixed void fraction, nearly 60ppm of 3-Pentanol (C5H11OH) surfactant was added as the surfactant. Bubbles accelerated the mean streamwise velocity near the wall. Thus the mean streamwise velocity profile was flatted. Moreover, the streamwise fluctuation velocity was suppressed at the middle pipe region. It is suggested that the highly concentrated bubbles in the vicinity of the wall disturb the transport of turbulence energy produced by the wall shear layer toward the middle of pipe. Thus the fluctuation velocity is remarkably reduced at the wide region of the pipe center. Moreover, in the middle of pipe, the turbulence structure is governed by the presence of bubbles.

  4. Structural modification in the formation of starch – silver nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Begum, S. N. Suraiya; Ramasamy, Radha Perumal, E-mail: perumal.ramasamy@gmail.com [Department of Applied Science and Technology, A.C.Tech. Campus, Anna University, Chennai – 600 025 (India); Aswal, V. K. [Solid State Physics Division, Bhabha Atomic Research Center, Trombay, Mumbai (India)

    2016-05-23

    Polymer based nanocomposites have gained wide applications in field of battery technology. Starch is a naturally occurring polysaccharide with sustainable properties such as biodegradable, non toxic, excellent film forming capacity and it also act as reducing agent for the metal nanoparticles. In our research various concentration of silver nitrate (AgNO{sub 3}) was added to the starch solution and films were obtained using solution casting method. Surface electron microscope (SEM) of the films shows modifications depending upon the concentration of AgNO{sub 3}. Small angle neutron scattering (SANS) analysis showed that addition of silver nitrate modifies the starch to disc like structures and with increasing the AgNO{sub 3} concentration leads to the formation of fractals. This research could benefit battery technology where solid polymer membranes using starch is used.

  5. Structural modification in the formation of starch - silver nanocomposites

    Science.gov (United States)

    Begum, S. N. Suraiya; Aswal, V. K.; Ramasamy, Radha Perumal

    2016-05-01

    Polymer based nanocomposites have gained wide applications in field of battery technology. Starch is a naturally occurring polysaccharide with sustainable properties such as biodegradable, non toxic, excellent film forming capacity and it also act as reducing agent for the metal nanoparticles. In our research various concentration of silver nitrate (AgNO3) was added to the starch solution and films were obtained using solution casting method. Surface electron microscope (SEM) of the films shows modifications depending upon the concentration of AgNO3. Small angle neutron scattering (SANS) analysis showed that addition of silver nitrate modifies the starch to disc like structures and with increasing the AgNO3 concentration leads to the formation of fractals. This research could benefit battery technology where solid polymer membranes using starch is used.

  6. Structural modification of polysaccharides: A biochemical-genetic approach

    Science.gov (United States)

    Kern, Roger G.; Petersen, Gene R.

    1991-01-01

    Polysaccharides have a wide range of industrial and biomedical applications. An industry trend is underway towards the increased use of bacteria to produce polysaccharides. Long term goals of this work are the adaptation and enhancement of saccharide properties for electronic and optic applications. In this report we illustrate the application of enzyme-bearing bacteriophage on strains of the enteric bacterium Klebsiella pneumoniae, which produces a polysaccharide with the relatively rare rheological property of drag-reduction. This has resulted in the production of new polysaccharides with enhanced rheological properties. Our laboratory is developing techniques for processing and structurally modifying bacterial polysaccharides and oligosaccharides which comprise their basic polymeric repeat units. Our research has focused on bacteriophage which produce specific polysaccharide degrading enzymes. This has lead to the development of enzymes generated by bacteriophage as tools for polysaccharide modification and purification. These enzymes were used to efficiently convert the native material to uniform-sized high molecular weight polymers, or alternatively into high-purity oligosaccharides. Enzyme-bearing bacteriophage also serve as genetic selection tools for bacteria that produce new families of polysaccharides with modified structures.

  7. Structural Modification in Carbon Nanotubes by Boron Incorporation

    Directory of Open Access Journals (Sweden)

    Handuja Sangeeta

    2009-01-01

    Full Text Available Abstract We have synthesized boron-incorporated carbon nanotubes (CNTs by decomposition of ferrocene and xylene in a thermal chemical vapor deposition set up using boric acid as the boron source. Scanning and transmission electron microscopy studies of the synthesized CNT samples showed that there was deterioration in crystallinity and improvement in alignment of the CNTs as the boron content in precursor solution increased from 0% to 15%. Raman analysis of these samples showed a shift of ~7 cm−1in wave number to higher side and broadening of the G band with increasing boron concentration along with an increase in intensity of the G band. Furthermore, there was an increase in the intensity of the D band along with a decrease in its wave number position with increase in boron content. We speculate that these structural modifications in the morphology and microstructure of CNTs might be due to the charge transfer from boron to the graphite matrix, resulting in shortening of the carbon–carbon bonds.

  8. Ion induced deformation of soft tissue.

    Science.gov (United States)

    Myers, T G; Aldis, G K; Naili, S

    1995-01-01

    In this paper the effects of changing the ion concentration in and around a sample of soft tissue are investigated. The triphasic theory developed by Lai et al. (1990, Biomechanics of Diarthrodial Joints, Vol. 1, Berlin, Springer-Verlag) is reduced to two coupled partial differential equations involving fluid ion concentration and tissue solid deformation. These equations are given in general form for Cartesian, cylindrical and spherical geometries. After solving the two equations quantities such as fluid velocity, fluid pressure, chemical potentials and chemical expansion stress may be easily calculated. In the Cartesian geometry comparison is made with the experimental and theoretical work of Myers et al. (1984, ASME J. biomech. Engng, 106, 151-158). This dealt with changing the ion concentration of a salt shower on a strip of bovine articular cartilage. Results were obtained in both free swelling and isometric tension states, using an empirical formula to account for ion induced deformation. The present theory predicts lower ion concentrations inside the tissue than this earlier work. A spherical sample of tissue subjected to a change in salt bath ion concentration is also considered. Numerical results are obtained for both hypertonic and hypotonic bathing solutions. Of particular interest is the finding that tissue may contract internally before reaching a final swollen equilibrium state or swell internally before finally contracting. By considering the relative magnitude, and also variation throughout the time course of terms in the governing equations, an even simpler system is deduced. As well as being linear the concentration equation in the new system is uncoupled. Results obtained from the linear system compare well with those from the spherical section. Thus, biological swelling situations may be modelled by a simple system of equations with the possibility of approximate analytic solutions in certain cases.

  9. Optimal Structural Modifications of a Gun Tripod for Desired Natural Frequencies

    Institute of Scientific and Technical Information of China (English)

    王建中; 周亚明; 朵英贤

    2004-01-01

    Sensitivity analysis and structural modification techniques are used to investigate the structural modifications of a machine gun tripod which suffers from severe vibration during firing due to the resonance. The finite element analysis and modal test techniques are used to determine the natural frequencies of the machine gun. The sensitivities of natural frequencies with respect to the structural parameters of the tripod are obtained by the method of sensitivity analysis, and they can be used as an indication for the structural modification of the tripod so as to shift the natural frequencies effectively. By the structural modification techniques, finally, the optimal structural modifications of the tripod for desired natural frequencies are made to avoid the resonance, and this optimal structural modification is verified by re-analysis of the modified structure and the vibration contrast between original structure and modified structure. The research resulted in a successful structural modification for desired natural frequencies, which can avoid the resonance and thereby greatly improve the shooting precision of the machine gun during firing.

  10. Polymer structure modifications for immersion leaching and watermark control

    Science.gov (United States)

    Lee, Jae Woo; Oh, Seung Keun; Kim, Jung Woo; Lee, Sang Hyang; Jeong, Young Ho; Kim, Sang Soo; Park, Myoung Hwan; Kim, Deogbae; Kim, Jaehyun; Lee, Geunsu; Moon, Seung-Chan

    2006-03-01

    Immersion materials have to overcome immersion-issues for successful wet process introduction to semiconductor mass production. Component-leaching issue is one of the most influential wet process huddles, which is related to immersion-liquid and projection lens contamination as well as resist patterning performances. In this paper, we will introduce our experimental results of leaching blocking effects resulted from the modification of polymer and additive structures and from the application of top surface blocking layers. PAG-leaching level of resist film formed of low Tg resin shows the highest meanwhile that of high Tg resin is the smallest leaching value. The interaction forces between additives and resin platforms are the most important to prevent additives leaching to immersion liquid. We have tested 3 different types of resin structures to modify the interaction forces between resin platform and resist components especially PAG molecules and photo-generated acid molecules. We changed 2-hydroxyethyl methacrylate(2-HEMA) contents to be 5, 10, 15% in our base resin, COMA-acrylate hybrid system to modify the hydrophilicity of resist platforms. By mimicking immersion process to obtain wet-performance of their resists we have obtained relative value of component-leaching. Interaction-force between resist platform and PAG was seemed to be largest when resist component-leaching is least so that the pattern profiles become to be vertical. It was appeared that the 5% 2-HEMA containing resin and TPS-Nonaflate PAG system showed the best performance because of its low leaching resulted from their strong interaction forces. Another polymer parameter to determine the component-diffusivity is glass transition temperature, Tg. Low Tg means high mobility of resin by small thermal energy due to high free volume contents inside of the resist film which can act as diffusion pathways of resist components. 10% MA resin system shows the lowest Tg, around 140 degrees C and the most

  11. Gravitational wave tests of quantum modifications to black hole structure

    CERN Document Server

    Giddings, Steven B

    2016-01-01

    A preliminary discussion is given of the prospects that gravitational-wave observations of binary inspiral of black holes could reveal or constrain quantum modifications to black hole dynamics, such as are required to preserve postulates of quantum mechanics. Different proposals for such modifications are characterized by different scales, and the size of these scales relative to those probed by observation of inspiral signals is important in determining the feasibility of finding experimental signatures. Certain scenarios with strong quantum modifications in a region extending well outside the horizon are expected to modify classical evolution, and distort the near-peak gravitational wave signal, suggesting a search for anomalies such as decreased regularity of the signal and increased power.

  12. Designed post-self-assembly structural and functional modifications of a truncated tetrahedron.

    Science.gov (United States)

    Zheng, Yao-Rong; Lan, Wen-Jie; Wang, Ming; Cook, Timothy R; Stang, Peter J

    2011-10-26

    Post-self-assembly modifications of a discrete metal-organic supramolecular structure have been developed. Such modifications allow the properties of the self-assembled supramolecular species to be changed in a simple and efficient manner (>90% yield). Initiated by the application of chemical stimuli, the post-self-assembly modifications described herein result in three distinct changes to the supramolecular system: an individual building-block component change, an overall structural modification, and a functional evolution of a [6+4] metal-organic supramolecular structure. The three modifications have been carefully examined by a range of characterization methods, including NMR and UV-vis spectroscopy, electrospray ionization mass spectrometry, pulsed field gradient spin echo NMR measurements, electrochemical analysis, and computational simulations.

  13. Structural modifications under reactive atmosphere of cobalt catalysts; Modifications structurales sous atmospheres reactionnelles de catalyseurs a base de cobalt

    Energy Technology Data Exchange (ETDEWEB)

    Ducreux, O.

    1999-11-23

    The purpose of this work was to develop in situ methods under reactive dynamic conditions (XRD and Fourier transform infrared spectroscopy) to describe the active phase structure in order to understand Fischer-Tropsch catalyst behaviour and improve the natural gas conversion process performance. Experiments were designed to correlate structural modifications with catalytic results. The effect of ruthenium used as a promoter has also been studied. The impregnation process increases cobalt-support interaction. The presence of ruthenium promoter reduces this effect. Interactions between Co{sub 3}O{sub 4} oxide and support play an important role in the reducibility of cobalt and in the resulting metal structure. This in turn strongly influences the catalytic behaviour. Our results show a close correlation between structure modification and reactivity in the systems studied. Cobalt metal and CO can react to form a carbide Co{sub 2}C under conditions close to those of the Fischer-Tropsch synthesis. This carbide formation seems to be related to a deactivation process. The presence of interstitial carbon formed by dissociation of CO is proposed as a key to understanding the mechanism of the Fischer-Tropsch reaction. A specific catalyst activation treatment was developed to increase the catalytic activity. This work permits correlation of materials structure with their chemical properties and demonstrates the contribution of in situ physico-chemical characterisation methods to describe solids under reactive atmosphere. (author)

  14. Structural modification of covalent-bonded networks: on some methodological resolutions for binary chalcogenide glasses

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, M; Shpotyuk, Ya; Shpotyuk, O, E-mail: shpotyukmy@yahoo.com [Lviv Scientific Research Institute of Materials of SRC ' Carat' , 212, Stryjska str., Lviv, 79031 (Ukraine)

    2011-04-01

    New methodology to estimate efficiency of externally-induced structural modification in chalcogenide glasses is developed. This approach is grounded on the assumption that externally-induced structural modification is fully associated with destruction-polymerization transformations, which reveal themselves as local misbalances in covalent bond distribution, normal atomic coordination and intrinsic electrical fields. The input of each of these components into the total value of structural modification efficiency was probed for quasibinary (As{sub 2}S{sub 3}){sub 100-x}(Sb{sub 2}S{sub 3}){sub x} ChG.

  15. Advanced ion beam analysis of materials using ion-induced fast electron

    Energy Technology Data Exchange (ETDEWEB)

    Kudo, Hiroshi; Tanabe, Atsushi; Ishihara, Toyoyuki [Tsukuba Univ., Ibaraki (Japan)] [and others

    1997-03-01

    Recent progress in the study of high-energy shadowing effect using ion-induced electron spectroscopy is reported with emphasis on a possibility of determination of local electronic structure in solids, which has been a difficult problem to approach with other experimental techniques. We demonstrate real-space determination of covalent-bond electron distribution in Si crystal. The analysis technique may provide a new field of ion beam analysis of solids. (author)

  16. Considering protonation as a posttranslational modification regulating protein structure and function.

    Science.gov (United States)

    Schönichen, André; Webb, Bradley A; Jacobson, Matthew P; Barber, Diane L

    2013-01-01

    Posttranslational modification is an evolutionarily conserved mechanism for regulating protein activity, binding affinity, and stability. Compared with established posttranslational modifications such as phosphorylation or ubiquitination, posttranslational modification by protons within physiological pH ranges is a less recognized mechanism for regulating protein function. By changing the charge of amino acid side chains, posttranslational modification by protons can drive dynamic changes in protein conformation and function. Addition and removal of a proton is rapid and reversible and, in contrast to most other posttranslational modifications, does not require an enzyme. Signaling specificity is achieved by only a minority of sites in proteins titrating within the physiological pH range. Here, we examine the structural mechanisms and functional consequences of proton posttranslational modification of pH-sensing proteins regulating different cellular processes.

  17. On novel mechanisms of slow ion induced electron emission

    CERN Document Server

    Eder, H

    2000-01-01

    impact of singly and doubly charged ions on poly- and monocrystalline aluminum surfaces were performed. From the results we conclude that direct plasmon excitation by slow ions occurs due to the potential energy of the projectile in a quasi-resonant fashion. The highest relative plasmon intensities were found for impact of 5 keV Ne+ on Al(111) with 5 % of the total yield. For impact of H + and H sub 2 + characteristical differences were observed for Al(111) and polycrystalline aluminum. We show that structures in the spectrum for monocrystalline aluminum arise from diffraction of ejected electrons instead of plasmon excitation as previously assumed. The present work has contributed in new ways to the field of slow ion induced electron emission. First, measurements of the total electron yield gamma for impact of slow singly and multiply charged ions on atomically clean polycrystalline gold and graphite have been made. The respective yields were determined by current measurements and measurements of the electro...

  18. Surface Modification of a PCB Substrate for Better Adhesion of Inkjet Printed Circuit Structures

    OpenAIRE

    Sridhar, A.; Dijk, van, JMF Jan; Akkerman, R.

    2009-01-01

    The robustness and service life of inkjet printed electronic circuit structures are highly influenced by the state of the interface between these structures and the substrate. In the case of polymeric substrate materials, surface modification is necessary to realise a favourable interface, as these materials are generally not very receptive to chemical bond formation with the deposited ink. This paper deals with the surface modification of a high frequency laminate (substrate) using two diffe...

  19. Incorporating chemical modification constraints into a dynamic programming algorithm for prediction of RNA secondary structure

    Science.gov (United States)

    Mathews, David H.; Disney, Matthew D.; Childs, Jessica L.; Schroeder, Susan J.; Zuker, Michael; Turner, Douglas H.

    2004-01-01

    A dynamic programming algorithm for prediction of RNA secondary structure has been revised to accommodate folding constraints determined by chemical modification and to include free energy increments for coaxial stacking of helices when they are either adjacent or separated by a single mismatch. Furthermore, free energy parameters are revised to account for recent experimental results for terminal mismatches and hairpin, bulge, internal, and multibranch loops. To demonstrate the applicability of this method, in vivo modification was performed on 5S rRNA in both Escherichia coli and Candida albicans with 1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluene sulfonate, dimethyl sulfate, and kethoxal. The percentage of known base pairs in the predicted structure increased from 26.3% to 86.8% for the E. coli sequence by using modification constraints. For C. albicans, the accuracy remained 87.5% both with and without modification data. On average, for these sequences and a set of 14 sequences with known secondary structure and chemical modification data taken from the literature, accuracy improves from 67% to 76%. This enhancement primarily reflects improvement for three sequences that are predicted with <40% accuracy on the basis of energetics alone. For these sequences, inclusion of chemical modification constraints improves the average accuracy from 28% to 78%. For the 11 sequences with <6% pseudoknotted base pairs, structures predicted with constraints from chemical modification contain on average 84% of known canonical base pairs. PMID:15123812

  20. Heavy-Ion-Induced Electronic Desorption of Gas from Metals

    CERN Document Server

    Molvik, A W; Mahner, E; Kireeff Covo, M; Bellachioma, M C; Bender, M; Bieniosek, F M; Hedlund, E; Krämer, A; Kwan, J; Malyshev, O B; Prost, L; Seidl, P A; Westenskow, G; Westerberg, L

    2007-01-01

    During heavy-ion operation in several particle accelerators worldwide, dynamic pressure rises of orders of magnitude were triggered by lost beam ions that bombarded the vacuum chamber walls. This ion-induced molecular desorption, observed at CERN, GSI, and BNL, can seriously limit the ion beam lifetime and intensity of the accelerator. From dedicated test stand experiments we have discovered that heavy-ion-induced gas desorption scales with the electronic energy loss (dEe/dx) of the ions slowing down in matter; but it varies only little with the ion impact angle, unlike electronic sputtering.

  1. Heavy-ion induced electronic desorption of gas from metals

    Energy Technology Data Exchange (ETDEWEB)

    Molvik, A W; Kollmus, H; Mahner, E; Covo, M K; Bellachioma, M C; Bender, M; Bieniosek, F M; Hedlund, E; Kramer, A; Kwan, J; Malyshev, O B; Prost, L; Seidl, P A; Westenskow, G; Westerberg, L

    2006-12-19

    During heavy ion operation in several particle accelerators world-wide, dynamic pressure rises of orders of magnitude were triggered by lost beam ions that bombarded the vacuum chamber walls. This ion-induced molecular desorption, observed at CERN, GSI, and BNL, can seriously limit the ion beam lifetime and intensity of the accelerator. From dedicated test stand experiments we have discovered that heavy-ion induced gas desorption scales with the electronic energy loss (dE{sub e}/d/dx) of the ions slowing down in matter; but it varies only little with the ion impact angle, unlike electronic sputtering.

  2. Effect of Structural Modification on Second Harmonic Generation in Collagen

    Energy Technology Data Exchange (ETDEWEB)

    Stoller, P C; Reiser, K M; Celliers, P M; Rubenchik, A M

    2003-04-04

    The effects of structural perturbation on second harmonic generation in collagen were investigated. Type I collagen fascicles obtained from rat tails were structurally modified by increasing nonenzymatic cross-linking, by thermal denaturation, by collagenase digestion, or by dehydration. Changes in polarization dependence were observed in the dehydrated samples. Surprisingly, no changes in polarization dependence were observed in highly crosslinked samples, despite significant alterations in packing structure. Complete thermal denaturation and collagenase digestion produced samples with no detectable second harmonic signal. Prior to loss of signal, no change in polarization dependence was observed in partially heated or digested collagen.

  3. Effect of structural modification on second harmonic generation in collagen

    Science.gov (United States)

    Stoller, Patrick C.; Reiser, Karen M.; Celliers, Peter M.; Rubenchik, Alexander M.

    2003-07-01

    The effects of structural perturbation on second harmonic generation in collagen were investigated. Type I collagen fascicles obtained from rat tails were structurally modified by increasing nonenzymatic cross-linking, by thermal denaturation, by collagenase digestion, or by dehydration. Changes in polarization dependence were observed in the dehydrated samples. Surprisingly, no changes in polarization dependence were observed in highly crosslinked samples, despite significant alterations in packing structure. Complete thermal denaturation and collagenase digestion produced samples with no detectable second harmonic signal. Prior to loss of signal, no change in polarization dependence was observed in partially heated or digested collagen.

  4. Application of a systematic finite-element model modification technique to dynamic analysis of structures

    Science.gov (United States)

    Robinson, J. C.

    1982-01-01

    A systematic finite-element model modification technique has been applied to two small problems and a model of the main wing box of a research drone aircraft. The procedure determines the sensitivity of the eigenvalues and eigenvector components to specific structural changes, calculates the required changes and modifies the finite-element model. Good results were obtained where large stiffness modifications were required to satisfy large eigenvalue changes. Sensitivity matrix conditioning problems required the development of techniques to insure existence of a solution and accelerate its convergence. A method is proposed to assist the analyst in selecting stiffness parameters for modification.

  5. Electronic structure tuning via surface modification in semimetallic nanowires

    Science.gov (United States)

    Sanchez-Soares, Alfonso; O'Donnell, Conor; Greer, James C.

    2016-12-01

    Electronic structure properties of nanowires (NWs) with diameters of 1.5 and 3 nm based on semimetallic α -Sn are investigated by employing density functional theory and perturbative GW methods. We explore the dependence of electron affinity, band structure, and band-gap values with crystallographic orientation, NW cross-sectional size, and surface passivants of varying electronegativity. We consider four chemical terminations in our study: methyl (CH3), hydrogen (H ), hydroxyl (OH ), and fluorine (F ). Results suggest a high degree of elasticity of Sn-Sn bonds within the Sn NWs' cores with no significant structural variations for nanowires with different surface passivants. Direct band gaps at Brillouin-zone centers are found for most studied structures with quasiparticle corrected band-gap magnitudes ranging from 0.25 to 3.54 eV in 1.5-nm-diameter structures, indicating an exceptional range of properties for semimetal NWs below the semimetal-to-semiconductor transition. Band-gap variations induced by changes in surface passivants indicate the possibility of realizing semimetal-semiconductor interfaces in NWs with constant cross-section and crystallographic orientation, allowing the design of novel dopant-free NW-based electronic devices.

  6. Surface Modification of a PCB Substrate for Better Adhesion of Inkjet Printed Circuit Structures

    NARCIS (Netherlands)

    Sridhar, A.; Dijk, van D.J.; Akkerman, R.

    2009-01-01

    The robustness and service life of inkjet printed electronic circuit structures are highly influenced by the state of the interface between these structures and the substrate. In the case of polymeric substrate materials, surface modification is necessary to realise a favourable interface, as these

  7. Crystal and electronic structure of a new metallic modification of (ET)2[KHg(SCN)4].

    Science.gov (United States)

    Kazheva, Olga N; Canadell, Enric; Aleksandrov, Grigorii G; Kushch, Nataliya D; Dyachenko, Oleg A

    2002-06-01

    A new room-temperature metallic modification of the well known radical cation salt (ET)(2)[KHg(SCN)(4)] has been prepared by electrochemical oxidation of ET. Its crystal and electronic structure have been examined at 110 K. The salt has a layered structure in which the conducting layers are characterized by the delta-type packing.

  8. Structural Characterization and Enzymatic Modification of Soybean Polysaccharides

    DEFF Research Database (Denmark)

    Pierce, Brian; Wichmann, Jesper

    are currently limited by the material’s insol-ubility. A central hypothesis of this work was that by obtaining a more complete understanding of the structure of this material, chemical and enzymatic ap-proaches could be developed to modify the polysaccharides, creating soluble polysaccharide fractions...

  9. Fouling Kinetics and Associated Dynamics of Structural Modifications

    DEFF Research Database (Denmark)

    Jacob, Jerome; Prádanos, Pedro; Calvo, J. I.;

    1998-01-01

    by Sartorius (ST02 and ST045, neutral) and Spectrum (SP02 and SP045, positively charged) when fouled by permeating a protein aqueous solution (bovine serum albumin (BSA) at 1 g l(-1)) under 10 kPa in a dead-end device. The structure after different fouling times is obtained by using an extended bubble point...

  10. Cu nanoparticles induced structural, optical and electrical modification in PVA

    DEFF Research Database (Denmark)

    Rozra, J.; Saini, I.; Sharma, A.

    2012-01-01

    Cu nanoparticles were synthesized in PVA matrix by chemical reduction of cupric nitrate with hydrazine hydrate. Structural characterization of synthesized Cu-PVA nanocomposite was carried out using UV-Visible Spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmissi...... measurements showed strong blue visible emission peak at 450 nm at different excitation wavelengths in the range of 220-245 nm. (c) 2012 Elsevier B.V. All rights reserved....

  11. YOGHURT STRUCTURE MODIFICATION WITH AMARANTH EXTRACT AND TRANGLUTAMINASE ADDITION

    OpenAIRE

    A. G. Shleikin; N. P. Danilov; A. E. Argymbaeva; S. V. Rykov

    2015-01-01

    To obtain functional dairy products is an important issue to improve the diet of the population. This article is devoted to development of yoghurt with transglutaminase enzyme. Transglutaminase (EC 2.3.2.13) performs cross-linking of proteins, strengthening the structure of the product. The concentration of transglutaminase used was 4 U/g of protein (0.1 %). Amaranth extract prepared from amaranth flour weighed in 5 % concentration per fermented samples volume was used as a vegetable additive...

  12. Study of structural modification of PVA by incorporating Ag nanoparticles

    DEFF Research Database (Denmark)

    Saini, I.; Sharma, A.; Rozra, J.

    2016-01-01

    Nanocomposites of PVA with Ag nanoparticles dispersed in it were synthesized using solution casting method. The morphology and size distribution of Ag nanoparticles embedded in PVA matrix were obtained by transmission electron microscopy (TEM) and Field emission scanning electron microscopy (FE......-SEM). Raman spectroscopy was used to examine structural changes taking place inside polyvinyl alcohol (PVA) matrix due to incorporation of Ag nanoparticle. Raman analysis indicates that Ag nanoparticles interact with PVA through H-bonding. © 2016 Author(s)....

  13. Glycosphingolipid Modification: Structural Diversity, Functional and Mechanistic Integration of Diabetes

    Directory of Open Access Journals (Sweden)

    Tadashi Yamashita

    2011-08-01

    Full Text Available Glycosphingolipids (GSLs are present in all mammalian cell plasma membranes and intracellular membrane structures. They are especially concentrated in plasma membrane lipid domains that are specialized for cell signaling. Plasma membranes have typical structures called rafts and caveola domain structures, with large amounts of sphingolipids, cholesterol, and sphingomyelin. GSLs are usually observed in many organs ubiquitously. However, GSLs, including over 400 derivatives, participate in diverse cellular functions. Several studies indicate that GSLs might have an effect on signal transduction related to insulin receptors and epidermal growth factor receptors. GSLs may modulate immune responses by transmitting signals from the exterior to the interior of the cell. Guillain-Barré syndrome is one of the autoimmune disorders characterized by symmetrical weakness in the muscles of the legs. The targets of the immune response are thought to be gangliosides, which are one group of GSLs. Other GSLs may serve as second messengers in several signaling pathways that are important to cell survival or programmed cell death. In the search for clear evidence that GSLs may play critical roles in various biological functions, many researchers have made genetically engineered mice. Before the era of gene manipulation, spontaneous animal models or chemical-induced disease models were used.

  14. On the relationship between modifications to the Raychaudhuri equation and the canonical Hamiltonian structures

    Science.gov (United States)

    Singh, Parampreet; Soni, S. K.

    2016-06-01

    The problem of obtaining canonical Hamiltonian structures from the equations of motion, without any knowledge of the action, is studied in the context of the spatially flat Friedmann, ‘Robertson’, and Walker models. Modifications to the Raychaudhuri equation are implemented independently as quadratic and cubic terms of energy density without introducing additional degrees of freedom. Depending on their sign, modifications make gravity repulsive above a curvature scale for matter satisfying strong energy conditions, or more attractive than in the classical theory. The canonical structure of the modified theories is determined by demanding that the total Hamiltonian be a linear combination of gravity and matter Hamiltonians. In the quadratic repulsive case, the modified canonical phase space of gravity is a polymerized phase space with canonical momentum as inverse a trigonometric function of the Hubble rate; the canonical Hamiltonian can be identified with the effective Hamiltonian in loop quantum cosmology. The repulsive cubic modification results in a ‘generalized polymerized’ canonical phase space. Both the repulsive modifications are found to yield singularity avoidance. In contrast, the quadratic and cubic attractive modifications result in a canonical phase space in which canonical momentum is nontrigonometric and singularities persist. Our results hint at connections between the repulsive/attractive nature of modifications to gravity arising from the gravitational sector and polymerized/non polymerized gravitational phase space.

  15. Nuclear medium modification of the F2 structure function

    CERN Document Server

    Athar, M Sajjad; Vacas, M J Vicente

    2009-01-01

    We study the nuclear effects in the electromagnetic structure function $F_{2}(x, Q^2)$ in nuclei in the deep inelastic lepton nucleus scattering process by taking into account Fermi motion, binding, pion and rho meson cloud contributions. Calculations have been done in a local density approximation using relativistic nuclear spectral functions which include nucleon correlations for nuclear matter. The ratios $R_{F2}^A(x,Q^2)=\\frac{2F_2^A(x,Q^2)}{AF_{2}^{Deut}(x,Q^2)}$ are obtained and compared with the recent JLAB results for light nuclei that show a non trivial A dependence.

  16. Structural modification of tantalum crystal induced by nitrogen ion implantation

    Indian Academy of Sciences (India)

    A H RAMEZANI; M R HANTEHZADEH; M GHORANNEVISS; E DARABI

    2016-06-01

    This paper investigates the effect of nitrogen ion implantation on tantalum surface structure. In this experiment, nitrogen ions which had an energy of 30 keV and doses of $1 \\times 10^{17}$ to $10 \\times 10^{17}$ ions cm$^{−2}$ were used. X-ray diffraction analysis (XRD) was applied for both the metallic Ta substrate and the study of new structures that have been created through the nitrogen ion implantation. Atomic force microscopy (AFM) was also used tocheck the roughness variations prior to and also after the implantation phase. The experimental results show the formation of hexagonal tantalum nitride (TaN$_{0.43}$) in addition to the fact that by increasing the ion dose, the nitrogen atoms occupy more interstitial spaces in the target crystal. The nitride phase also seen for $3\\times 10^{17}$ and $5\\times 10^{17}$ ions cm$^{−2}$, while it disappeared for higher dose of $7\\times 10^{17}$ and $1\\times 10^{18}$ ions cm$^{−2}$. The FWHM of the dominant peak of tantalum nitride suggest the growth of the crystallite’s size, which is in agreement with the AFM results ofthe grains.

  17. Effects of ultraviolet nanosecond laser irradiation on structural modification and optical transmission of single layer graphene

    Science.gov (United States)

    Li, Chunhong; Kang, Xiaoli; Zhu, Qihua; Zheng, Wanguo

    2017-03-01

    Structural modifications and optical transmission change of single layer graphene (SLG) on transparent SiO2 substrate induced by nanosecond 355 nm laser irradiation were systematically studied by scanning electron microscopy (SEM), laser-excited Raman, X-ray photon spectroscopy (XPS) and UV-vis transmission spectra. In this study, to avoid damage to graphene, the selected irradiation fluence was set to be smaller than the laser damage threshold of SLG. Laser-driven formation of nano-dots, carbon clusters and spherical carbon morphologies were clearly presented using SEM magnification images, and the formation mechanism of such structures were discussed. Raman spectra revealed formation of D' peak and the continuously increasing of ID/IG intensity ratio with the concurrent increase of laser fluence, indicating the increase in amount of structural defects and disordering in SLG. XPS results disclosed that the oxygen content in SLG increases with laser fluence. The formation and relative content increase of Cdbnd O, Csbnd Osbnd C and Osbnd Cdbnd O bonds in SLG induced by laser irradiation were also revealed by XPS. Laser-driven micro-structure modifications of crystalline graphene to nano-crystalline graphene and photo-chemical reactions between graphene and O2 and H2O in air environment were suggested to be responsible for the Raman and XPS revealed modifications in SLG. It is worthy to point out that the above mentioned structural modifications only caused a slight decrease (graphene aiming at modifying its structure and thus taiorling its properties.

  18. Structure modification of Mg-Nb films under hydrogen sorption cycles

    Energy Technology Data Exchange (ETDEWEB)

    Mengucci, P., E-mail: p.mengucci@univpm.it [Dipartimento di Fisica e Ingegneria dei Materiali e del Territorio, Universita Politecnica delle Marche, Via Brecce Bianche, I-60131 Ancona (Italy); Barucca, G.; Majni, G. [Dipartimento di Fisica e Ingegneria dei Materiali e del Territorio, Universita Politecnica delle Marche, Via Brecce Bianche, I-60131 Ancona (Italy); Bazzanella, N.; Checchetto, R.; Miotello, A. [Dipartimento di Fisica, Universita di Trento, Via Sommarive, I-38123 Povo (Italy)

    2011-09-15

    Research highlights: > Influence of Nb additions on the hydrogen kinetics of Mg layers. > Structure modification of the Mg matrix during hydrogen cycling. > Lattice strains induced by Nb tends to decrease during hydrogen cycling. > Nb nanoparticles form during hydrogen cycling. > Nb enhances the porous structure of the Mg layer formed during hydrogen cycling. - Abstract: In the present work we focus our attention on the structural modifications induced by repeated absorption/desorption cycles on Mg-Nb layers. Samples consisting of a 30 {mu}m thick pure Mg or Mg-5 at.% Nb doped films, coated with a 20 nm thick Pd layer were submitted to repeated H{sub 2} sorption cycles in a volumetric apparatus. Isothermal desorption analysis at 350 deg. C was performed to evaluate the amount of absorbed hydrogen. X-ray diffraction (XRD), energy dispersive spectroscopy (EDS) and electron microscopy techniques (SEM and TEM) were used for the structural characterisation of the samples. Analyses show a deep modification of the material upon cycling. The presence of Nb enhances the structural modifications and induces an initial lattice contraction of the Mg matrix that tends to decrease on cycling via the formation of Nb nanoparticles (with average size of {approx}10 nm). SEM and TEM observations performed in cross section evidenced the formation of a porous structure.

  19. Effect of structural modifications on the activity of the leadzyme.

    Science.gov (United States)

    Chartrand, P; Usman, N; Cedergren, R

    1997-03-18

    The structure/function properties of functional groups in the leadzyme have been studied by assaying the activity of analog ribozymes generated by the systematic substitution of modified nucleotides in the internal loop region of the ribozyme. Guanosine analogs introduced at positions 4 and 7 occupied by guanosine in the wild-type molecule severely diminished cleavage. The substitution of deoxycytidine for cytidine at the cleavage site completely eliminated the activity of the leadzyme, as expected if the adjacent 2'-OH were the nucleophile in the cleavage reaction. On the other hand, substitution of an abasic nucleotide for adenosine at position 8 did not affect the activity of the ribozyme. An analysis of the activity of these analogs gives rise to the proposal of a triple-base pair motif implicating C1, G4, and G7.

  20. Neuroferritinopathy: From ferritin structure modification to pathogenetic mechanism

    Science.gov (United States)

    Levi, Sonia; Rovida, Ermanna

    2015-01-01

    Neuroferritinopathy is a rare, late-onset, dominantly inherited movement disorder caused by mutations in L-ferritin gene. It is characterized by iron and ferritin aggregate accumulation in brain, normal or low serum ferritin levels and high variable clinical feature. To date, nine causative mutations have been identified and eight of them are frameshift mutations determined by nucleotide(s) insertion in the exon 4 of L-ferritin gene altering the structural conformation of the C-terminus of the L-ferritin subunit. Acting in a dominant negative manner, mutations are responsible for an impairment of the iron storage efficiency of ferritin molecule. Here, we review the main characteristics of neuroferritinopathy and present a computational analysis of some representative recently defined mutations with the purpose to gain new information about the pathogenetic mechanism of the disorder. This is particularly important as neuroferritinopathy can be considered an interesting model to study the relationship between iron, oxidative stress and neurodegeneration. PMID:25772441

  1. Structural modification of bacterial cellulose fibrils under ultrasonic irradiation.

    Science.gov (United States)

    Paximada, Paraskevi; Dimitrakopoulou, Eleni Alkmini; Tsouko, Erminda; Koutinas, Apostolos A; Fasseas, C; Mandala, Ioanna G

    2016-10-05

    Ιn the present study we investigated ultrasounds as a pretreatment process for bacterial cellulose (BC) aqueous suspensions. BC suspensions (0.1-1% wt) subjected to an ultrasonic treatment for different time intervals. Untreated BC presented an extensively entangled fibril network. When a sonication time of 1min was applied BC fibrils appeared less bundled and dropped in width from 110nm to 60nm. For a longer treatment (3-5min) the width of the fibrils increased again to 100nm attributed to an entanglement of their structure. The water holding capacity (WHC) and ζ-potnential of the suspensions was proportional to the sonication time. Their viscosity and stability were also affected; an increase could be seen at short treatments, while a decrease was obvious at longer ones. Concluding, a long ultrasonic irradiation led to similar BC characteristics as the untreated, but a short treatment may be a pre-handling method for improving BC properties. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. On the relationship between the modifications to the Raychaudhuri equation and the canonical Hamiltonian structures

    CERN Document Server

    Singh, Parampreet

    2015-01-01

    The problem of obtaining canonical Hamiltonian structures from the equations of motion is studied in the context of the spatially flat Friedmann-Robertson-Walker models. Modifications to Raychaudhuri equation are implemented independently as quadratic and cubic terms of energy density without introducing additional degrees of freedom. Depending on its sign, modifications make gravity repulsive above a curvature scale for matter satisfying strong energy condition, or more attractive than in the classical theory. Canonical structure of the modified theories is determined demanding that the total Hamiltonian be a linear combination of gravity and matter Hamiltonians. Both of the repulsive modifications are found to yield singularity avoidance. In the quadratic repulsive case, the modified canonical phase space of gravity is a polymerized phase space with canonical momentum as inverse trigonometric function of Hubble rate; the canonical Hamiltonian can be identified with the effective Hamiltonian in loop quantum ...

  3. Reduction and structural modification of zirconolite on He+ ion irradiation

    Science.gov (United States)

    Gupta, Merry; Kulriya, P. K.; Shukla, Rishabh; Dhaka, R. S.; Kumar, Raj; Ghumman, S. S.

    2016-07-01

    The immobilization of minor actinides and alkaline-earth metal is a major concern in nuclear industry due to their long-term radioactive contribution to the high level waste (HLW). Materials having zirconolite, pyrochlore, and perovskite structure are promising candidates for immobilization of HLW. The zirconolite which exhibits high radiation stability and corrosion resistance behavior is investigated for its radiation stability against alpha particles in the present study. CaZrTi2O7 pellets prepared using solid state reaction techniques, were irradiated with 30 keV He+ ions for the ion fluence varying from 1 × 1017 to 1 × 1021 ions/m2. Scanning electron microscopy (SEM) images of the un-irradiated sample exhibited well separated grains with average size of about 6.8 μm. On the ion irradiation, value of the average grains size was about 7.1 μm, and change in the microstructure was insignificant. The X-ray photoelectron spectroscopy (XPS) studies showed a shift in the core level peak position (of Ca 2p, Ti 2p and Zr 3d) towards lower binding energy with respect to pristine sample as well as loss of oxygen was also observed for sample irradiated with the ion fluence of 1 × 1020 ions/m2. These indicate a decrease in co-ordination number and the ionic character of Msbnd O bond. Moreover, core level XPS signal was not detected for sample irradiated with ion fluence of 1 × 1021 ions/m2, suggesting surface damage of the sample at this ion fluence. However, X-ray diffraction (XRD) studies showed that zirconolite was not amorphized even on irradiation up to a fluence order of 1 × 1021 ion/m2. But, significant decrease in peak intensity due to creation of defects and a marginal positive peak shift due to tensile strain induced by irradiation, were observed. Thus, XRD along with XPS investigation suggests that reduction, decrease in co-ordination number, and increase in covalency are responsible for the radiation damage in zirconolite.

  4. Heavy ion induced DNA-DSB in yeast and mammalian cells

    Science.gov (United States)

    Loebrich, M.; Ikpeme, S.; Kiefer, J.

    1994-01-01

    Molecular changes at the DNA are assumed to be the main cause for radiation effects in a number of organisms. During the course of the last decades techniques have been developed for measuring DNA double-strand breaks (dsb), generally assumed to be the most critical DNA lesions. The outcome of all those different approaches portrays a collection of data useful for a theoretical description of radiation action mechanisms. However, in the case of heavy ion induced DNA dsb the picture is not quite clear yet and further projects and strategies have to be developed. The biological systems studied in our group are yeast and mammalian cells. While in the case of yeast cells technical and methodical reasons highlight these organisms mammalian cells reach greater importance when dsb repair studies are performed. In both types of organisms the technique of pulsed-field gel electrophoresis (PFGE) is applied, although with different modifications and evaluation procedures mainly due to the different genome sizes.

  5. Evaluating response modification factor (R for some types of steel structure

    Directory of Open Access Journals (Sweden)

    Doralba Valencia Restrepo

    2010-04-01

    Full Text Available Response modification factor (R, tabulated in the Colombian Design Code as NSR-98, is used in this paper for eva-luating internal member forces produced by design earthquake action on steel structures and the inconsistencies pre-sent when designing structures when 1% drift limits must be complied with. The article presents the design of 45 frames corresponding to the seismic resistance system of 5 buildings: 15 special moment frames (SMF, 15 special concentrically-braced frames (CBF and 15 eccentrically-braced frames (EBF. External loads and their combination were used in estimating internal loads and rigidity demands (1% drift were evaluated in line with NSR-98 requi-rements. Member strength requirements were evaluated by using the AISC-2005 seismic provisions for steel structu-red buildings. Modal pushover analysis was used for evaluating the response modification factor for the 45 given frames at different structural performance levels. It was found that this factor was not constant for any of the three structural systems (SMF, CBF and EBF suggested by NSR-98 and that the values of the response modification factor found in the present investigation were smaller than those tabulated in this design code governing everyday structural design. This would lead to significant errors being made in evaluating design forces, not only in the structures but in the support elements (base-plates, foundations, shear walls and any structures attached to buildings constructed in line with the seismic resistance system.

  6. Light and Electron Microscopic Evaluation of Hydrogen Ion-Induced Brain Necrosis

    OpenAIRE

    Petito, C. K.; Kraig, R.P.; Pulsinelli, W. A.

    1987-01-01

    Excessive accumulation of hydrogen ions in the brain may play a pivotal role in initiating the necrosis seen in infarction and following hyperglycemic augmentation of ischemic brain damage. To examine possible mechanisms involved in hydrogen ion-induced necrosis, sequential structural changes in rat brain were examined following intracortical injection of sodium lactate solution (pH 4.5), as compared with injections at pH 7.3. Following pH 7.3 injection, neuronal swelling developed between 1 ...

  7. Characterization of Chromatin Structure-associated Histone Modifications in Breast Cancer Cells

    Directory of Open Access Journals (Sweden)

    Chang Pyo Hong

    2012-09-01

    Full Text Available Chromatin structure and dynamics that are influenced by epigenetic marks, such as histone modification and DNA methylation, play a crucial role in modulating gene transcription. To understand the relationship between histone modifications and regulatory elements in breast cancer cells, we compared our chromatin immunoprecipitation sequencing (ChIP-Seq histone modification patterns for histone H3K4me1, H3K4me3, H3K9/16ac, and H3K27me3 in MCF-7 cells with publicly available formaldehyde-assisted isolation of regulatory elements (FAIRE-chip signals in human chromosomes 8, 11, and 12, identified by a method called FAIRE. Active regulatory elements defined by FAIRE were highly associated with active histone modifications, like H3K4me3 and H3K9/16ac, especially near transcription start sites. The H3K9/16ac-enriched genes that overlapped with FAIRE signals (FAIRE-H3K9/14ac were moderately correlated with gene expression levels. We also identified functional sequence motifs at H3K4me1-enriched FAIRE sites upstream of putative promoters, suggesting that regulatory elements could be associated with H3K4me1 to be regarded as distal regulatory elements. Our results might provide an insight into epigenetic regulatory mechanisms explaining the association of histone modifications with open chromatin structure in breast cancer cells.

  8. Antidotes to anthrax lethal factor intoxication. Part 2: structural modifications leading to improved in vivo efficacy.

    Science.gov (United States)

    Kim, Seongjin; Jiao, Guan-Sheng; Moayeri, Mahtab; Crown, Devorah; Cregar-Hernandez, Lynne; McKasson, Linda; Margosiak, Stephen A; Leppla, Stephen H; Johnson, Alan T

    2011-04-01

    New anthrax lethal factor inhibitors (LFIs) were designed based upon previously identified potent inhibitors 1a and 2. Combining the new core structures with modifications to the C2-side chain yielded analogs with improved efficacy in the rat lethal toxin model.

  9. Design modification and stress analysis of bottom structure for the instrumented capsule

    Energy Technology Data Exchange (ETDEWEB)

    Choi, M. H.; Kang, Y. H.; Joo, K. N.; Oh, J. M.; Joe, M. S.; Ryu, J. S.; Jeo, Y. G. [KAERI, Taejon (Korea, Republic of)

    2003-10-01

    The bottom structure of the instrumented capsule, which is used for the irradiation test in the HANARO incore, plays an important role to support the capsule main structure within the hexagonal flow tube. This paper is described the design modification and stress analysis results to obtain the structural integrity of bottom structure for the instrumented capsule. The capsule's bottom guide structure consisted of three guide pins before, but it is modified as one block structure to obtain an efficient flow of coolant water and a stabilized shape structurally. The structural integrity of the bottom structure is estimated by the stress calculation of components such as welding parts, bolts and neck parts of the rod tip due to the force applied by handling tool. The tensile and shear stresses are calculated by using a mechanical formulas, and a finite element model development is planned to be performed for more complex assembly of the capsule bottom structure.

  10. Ion-induced Processing of Cosmic Silicates: A Possible Formation Pathway to GEMS

    Science.gov (United States)

    Jäger, C.; Sabri, T.; Wendler, E.; Henning, Th.

    2016-11-01

    Ion-induced processing of dust grains in the interstellar medium and in protoplanetary and planetary disks plays an important role in the entire dust cycle. We have studied the ion-induced processing of amorphous MgFeSiO4 and Mg2SiO4 grains by 10 and 20 keV protons and 90 keV Ar+ ions. The Ar+ ions were used to compare the significance of the light protons with that of heavier, but chemically inert projectiles. The bombardment was performed in a two-beam irradiation chamber for in situ ion-implantation at temperatures of 15 and 300 K and Rutherford Backscattering Spectroscopy to monitor the alteration of the silicate composition under ion irradiation. A depletion of oxygen from the silicate structure by selective sputtering of oxygen from the surface of the grains was observed in both samples. The silicate particles kept their amorphous structure, but the loss of oxygen caused the reduction of ferrous (Fe2+) ions and the formation of iron inclusions in the MgFeSiO4 grains. A few Si inclusions were produced in the iron-free magnesium silicate sample pointing to a much less efficient reduction of Si4+ and formation of metallic Si inclusions. Consequently, ion-induced processing of magnesium-iron silicates can produce grains that are very similar to the glassy grains with embedded metals and sulfides frequently observed in interplanetary dust particles and meteorites. The metallic iron inclusions are strong absorbers in the NIR range and therefore a ubiquitous requirement to increase the temperature of silicate dust grains in IR-dominated astrophysical environments such as circumstellar shells or protoplanetary disks.

  11. Structure Modification Toward Applicability Domain of a QSAR/QSPR Model Considering Activity/Property.

    Science.gov (United States)

    Ochi, Shoki; Miyao, Tomoyuki; Funatsu, Kimito

    2017-08-16

    In drug and material design, the activity and property values of the designed chemical structures can be predicted by quantitative structure-activity and structure-property relationship (QSAR/QSPR) models. When a QSAR/QSPR model is applied to chemical structures, its applicability domain (AD) must be considered. The predicted activity/property values are only reliable for chemical structures inside the AD. Chemical structures outside the AD are usually neglected, as the predicted values are unreliable. The purpose of this study is to develop a methodology for obtaining novel chemical structures with the desired activity or property based on a QSAR/QSPR model by making use of the neglected structures. We propose a structure modification strategy for the AD that considers the activity and property simultaneously. The AD is defined by a one-class support vector machine and the structure modification is guided by a partial derivative of the AD model and matched molecular pairs analysis. Three proof-of-concept case studies generate novel chemical structures inside the AD that exhibit preferable activity/property values according to the QSAR/QSPR model. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Structural Modifications for Torsional Vibration Control of Shafting Systems Based on Torsional Receptances

    Directory of Open Access Journals (Sweden)

    Zihao Liu

    2016-01-01

    Full Text Available Torsional vibration of shafts is a very important problem in engineering, in particular in ship engines and aeroengines. Due to their high levels of integration and complexity, it is hard to get their accurate structural data or accurate modal data. This lack of data is unhelpful to vibration control in the form of structural modifications. Besides, many parts in shaft systems are not allowed to be modified such as rotary inertia of a pump or an engine, which is designed for achieving certain functions. This paper presents a strategy for torsional vibration control of shaft systems in the form of structural modifications based on receptances, which does not need analytical or modal models of the systems under investigation. It only needs the torsional receptances of the system, which can be obtained by testing simple auxiliary structure attached to relevant locations of the shaft system and using the finite element model (FEM of the simple structure. An optimization problem is constructed to determine the required structural modifications, based on the actual requirements of modal frequencies and mode shapes. A numerical experiment is set up and the influence of several system parameters is analysed. Several scenarios of constraints in practice are considered. The numerical simulation results demonstrate the effectiveness of this method and its feasibility in solving torsional vibration problems in practice.

  13. Vocal Modification Abilities and Brain Structures in Parrots – how do they Correlate?

    DEFF Research Database (Denmark)

    Harpøth, Solveig Walløe

    -­fronted conure and the budgerigar. Article 2: It has been suggested that the size of various brain regions is important for behavioral capability and also the number of neurons have been suggested to be important. Here we correlate the vocal modification ability of the peach-­fronted conure, the budgerigar......Behavioral capability and related brain structures has been linked many times. It is a relationship that may vary between individuals and species, depending on for example the level of sociality. This PhD-­thesis investigates this relationship using parrots as experimental subjects. Parrots...... independent studies where I 1) compare the level of vocal complexity (i.e. modification of the contact call in response to playback stimuli) with the social complexity of four different parrot species, 2) correlate the vocal modification ability of parrots with a brain region involved in vocal learning, i...

  14. Voltage controlled modification of flux closure domains in planar magnetic structures for microwave applications

    Energy Technology Data Exchange (ETDEWEB)

    Parkes, D. E.; Beardsley, R.; Edmonds, K. W.; Campion, R. P.; Gallagher, B. L.; Rushforth, A. W., E-mail: Stuart.Cavill@york.ac.uk, E-mail: Andrew.Rushforth@nottingham.ac.uk [School of Physics and Astronomy, The University of Nottingham, Nottingham NG7 2RD (United Kingdom); Bowe, S. [School of Physics and Astronomy, The University of Nottingham, Nottingham NG7 2RD (United Kingdom); Diamond Light Source, Chilton, Didcot, Oxfordshire OX11 0DE (United Kingdom); Isakov, I.; Warburton, P. A. [London Centre of Nanotechnology, University College London, London WC1H 0AH (United Kingdom); Cavill, S. A., E-mail: Stuart.Cavill@york.ac.uk, E-mail: Andrew.Rushforth@nottingham.ac.uk [Department of Physics, University of York, Heslington, York YO10 5DD (United Kingdom); Diamond Light Source, Chilton, Didcot, Oxfordshire OX11 0DE (United Kingdom)

    2014-08-11

    Voltage controlled modification of the magnetocrystalline anisotropy in a hybrid piezoelectric/ferromagnet device has been studied using Photoemission Electron Microscopy with X-ray magnetic circular dichroism as the contrast mechanism. The experimental results demonstrate that the large magnetostriction of the epitaxial Fe{sub 81}Ga{sub 19} layer enables significant modification of the domain pattern in laterally confined disc structures. In addition, micromagnetic simulations demonstrate that the strain induced modification of the magnetic anisotropy allows for voltage tuneability of the natural resonance of both the confined spin wave modes and the vortex motion. These results demonstrate the possibility for using voltage induced strain in low-power voltage tuneable magnetic microwave oscillators.

  15. Effect of silver ion-induced disorder on morphological, chemical and optical properties of poly (methyl methacrylate)

    Energy Technology Data Exchange (ETDEWEB)

    Arif, Shafaq, E-mail: sarif2005@gmail.com [Department of Physics, Lahore College for Women University, Lahore 54000 (Pakistan); Saleemi, Farhat [Department of Physics, Lahore College for Women University, Lahore 54000 (Pakistan); Rafique, M. Shahid [Department of Physics, University of Engineering & Technology, Lahore 54000 (Pakistan); Naab, Fabian; Toader, Ovidiu [Department of Nuclear Engineering and Radiological Sciences, Michigan Ion Beam Laboratory, University of Michigan, MI 48109-2104 (United States); Mahmood, Arshad; Aziz, Uzma [National Institute of Lasers & Optronics (NILOP), P.O. Nilore, Islamabad (Pakistan)

    2016-11-15

    Ion implantation is a versatile technique to tailor the surface properties of polymers in a controlled manner. In the present study, samples of poly (methyl methacrylate) (PMMA) have been implanted with 400 keV silver (Ag{sup +}) ion beam to various ion fluences ranging from 5 × 10{sup 13} to 5 × 10{sup 15} ions/cm{sup 2}. The effect of Ag{sup +} ion-induced disorder on morphological, chemical and optical properties of PMMA is analyzed using Atomic Force Microscope (AFM), Fourier transform infrared spectroscopy (FTIR) and ultraviolet–visible (UV–Vis) spectroscopy. Furthermore, the electrical conductivity of pristine and implanted PMMA is measured using four probe apparatus. The AFM images revealed the growth of nano-sized grainy structures and hillocks above the surface of implanted PMMA. The FTIR spectra confirmed the modifications in chemical structure of PMMA along with the formation of −C=C− carbon contents. The refractive index, extinction coefficient and photoconductivity of implanted PMMA have been found to increase as a function of ion fluence. Simultaneously, indirect optical band gap is reduced from 3.13 to 0.81 eV at a relatively high fluence (5 × 10{sup 15} ions/cm{sup 2}). A linear correlation has been established between the band gap and Urbach energies. Moreover, the electrical conductivity of Ag{sup +} implanted PMMA has increased from 2.14 × 10{sup −10} (pristine) to 9.6 × 10{sup −6} S/cm.

  16. Ion induced spinodal dewetting of thin solid films

    Energy Technology Data Exchange (ETDEWEB)

    Repetto, Luca; Setina Batic, Barbara; Firpo, Giuseppe; Piano, Emanuele; Valbusa, Ugo [Dipartimento di Fisica, Universita di Genova, Via Dodecaneso 33, 16146 Genova (Italy)

    2012-05-28

    We present experimental data and numerical simulations in order to show that the mechanism of spinodal dewetting is active during ion beam irradiation of thin solid films. The expected scaling law for the characteristic wavelengths versus the initial film thickness is modified by the presence of sputtering. The conclusion is fully supported by model simulation which shows a square law dependence for null sputtering yield and a bimodal trend when sputtering is included. This result is in contrast to earlier studies and opens the possibility to control and use ion induced dewetting for the fabrication of functional nanostructures.

  17. Electronic excitation induced structural and optical modifications in InGaN/GaN quantum well structures grown by MOCVD

    Energy Technology Data Exchange (ETDEWEB)

    Prabakaran, K.; Ramesh, R.; Jayasakthi, M.; Surender, S.; Pradeep, S. [Crystal Growth Centre, Anna University, Chennai (India); Balaji, M. [National Centre for Nanoscience and Nanotechnology, University of Madras, Guindy Campus, Chennai (India); Asokan, K. [Inter-University Accelerator Centre, New Delhi (India); Baskar, K., E-mail: drbaskar2009@gmail.com [Crystal Growth Centre, Anna University, Chennai (India); Manonmaniam Sundaranar University, Tirunelveli (India)

    2017-03-01

    Highlights: • Effects on InGaN/GaN QW structures by Au{sup 7+} (100 MeV) ion have been investigated. • Structural defects of the irradiated InGaN/GaN QW structures are determined. • The intermixing effect in irradiated InGaN/GaN QW structures were understood. • Modified luminescence was observed in the PL spectra due to heavy ion irradiation. • Surface modification was observed due to the heavy ion irradiation. - Abstract: The present study focuses on the electronic excitation induced structural and optical properties of InGaN/GaN quantum well (QW) structures grown by metal organic chemical vapor deposition technique. These excitations were produced using Au{sup 7+} ion irradiation with 100 MeV energy. The X-ray rocking curves intensity and full width at half-maximum values corresponding to the planes of (0 0 0 2) and (1 0 −1 5) of the irradiated QW structures show the modifications in the screw and edge-type dislocation densities vary with the ion fluences. The structural characteristics using the reciprocal space mapping indicate the intermixing effects in InGaN/GaN QW structures. Atomic force microscopy images confirmed the presence of nanostructures and the surface modification due to heavy ion irradiation. The irradiated QW structures exhibited degraded photoluminescence intensity and a subsequent decrease in the yellow luminescence band intensity with the fluences of 1 × 10{sup 11} and 5 × 10{sup 12} ions/cm{sup 2} compared to the pristine QW structures.

  18. Casting structure of pure aluminum by electric pulse modification at different superheated temperatures

    Institute of Scientific and Technical Information of China (English)

    Jingang Qi; Jianzhong Wang; Xingjiang Liu; Bing Wang; Daqiang Cang

    2005-01-01

    Electric pulse modification (EPM) is a novel technique that reduces grain size by altering the structure of a melt. It was investigated that the response of the casting structure of high pure aluminum to EPM in different superheated melts. The results indicate that the grain refining effect of a given pulse electric field holds an optimal temperature range, moreover, a lower or higher superheated temperature will both disadvantage the improvements of casting structure. It essentially lies in the cooperative action between the distorted absorption of clusters and the activated capability of atoms in the aluminum melt.

  19. Procedure for developing biological input for the design, location, or modification of water-intake structures

    Energy Technology Data Exchange (ETDEWEB)

    Neitzel, D.A.; McKenzie, D.H.

    1981-12-01

    To minimize adverse impact on aquatic ecosystems resulting from the operation of water intake structures, design engineers must have relevant information on the behavior, physiology and ecology of local fish and shellfish. Identification of stimulus/response relationships and the environmental factors that influence them is the first step in incorporating biological information in the design, location or modification of water intake structures. A procedure is presented in this document for providing biological input to engineers who are designing, locating or modifying a water intake structure. The authors discuss sources of stimuli at water intakes, historical approaches in assessing potential/actual impact and review biological information needed for intake design.

  20. MWW-type titanosilicate synthesis, structural modification and catalytic applications to green oxidations

    CERN Document Server

    Wu, Peng; Xu, Le; Liu, Yueming; He, Mingyuan

    2013-01-01

    This book provides a comprehensive review of a new generation of selective oxidation titanosilicate catalysts with the MWW topology (Ti-MWW) based on the research achievements of the past 12 years. It gives an overview of the synthesis, structure modification and catalytic properties of Ti-MWW. Ti-MWW can readily be prepared by means of direct hydrothermal synthesis with crystallization-supporting agents, using dual-structure-directing agents and a dry-gel conversion technique. It also can be post-synthesized through unique reversible structure transformation and liquid-phase isomorphous subst

  1. The influence of modification on structural, textural and adsorption properties of bentonite

    Directory of Open Access Journals (Sweden)

    Jović-Jovičić Nataša R.

    2008-01-01

    Full Text Available Natural bentonite clay from the Bogovina locality in Serbia was Na-exchanged and modified using hexadecyll-trimethylammonium bromide as surfactant and organobentonite was obtained. The influence of modifications on the structural, textural and sorption properties of bentonite was investigated. It was estimated that modifications solely replace exchangeable cations in smectite layers, whereas other admixture minerals (quartz, calcite, feldspar in bentonite remain unaffected. According to X-ray results the modification lead to changes in the smectite structure by either decreasing, for Na-bentonite, or increasing, for organobentonite, the interplanar spacing, JQOI- The appearance of three new bands in IR spectra of HDTMA-bentonite comparing to those of raw and Na-bentonite assigned to the methylene vibrations confirmed the embedding of aliphatic cations into smectite structure. In organobentonite a significant change in textural properties was observed. In particular, specific surface area dramatically decreased while originally meso and microporous material became almost completely non-porous. Despite almost insignificant specific surface area the synthesized organobentonite due to gained organophyllity of its surface exhibits exquisite adsorption properties toward investigated textile dyes having adsorption capacity approx. 2 times higher than activated carbon.

  2. The modifications of bovine β-lactoglobulin: Effects on its structural and functional properties

    Directory of Open Access Journals (Sweden)

    Stanić-Vučinić Dragana

    2013-01-01

    Full Text Available Beta-lactoglobulin (BLG is the main whey protein and it is frequently used additive in wide range of food products due to its excellent techno-functional properties, high nutritional value and low cost. It is also considered as acid-resistant drug carrier for delivery of pharmaceutical and nutraceutical agents. However, BLG is the main allergen of milk. A variety of methods have been explored for modification of BLG in attempt to improve its functional properties and to decrease its allergenicity. Due to its compact globular structure BLG is relatively resistant to modifications, especially under mild conditions. BLG can be modified by physical, chemical and enzymatic treatments. Although chemical modifications offer efficient way of alteration of protein structural and functional properties, they are associated with safety concern. In the last decade there is a tendency for application of novel non-thermal physical processing methods, as well as enzymes in order to obtain BLG with desirable properties. The objective of this review is to overview chemical, physical and enzymatic processing techniques utilized to modify BLG and their effects on structure and functional properties of BLG. [Projekat Ministarstva nauke Republike Srbije, br. 172024 and FP7 RegPot project FCUB ERA GA No. 256716

  3. Advanced glycation end products induce differential structural modifications and fibrillation of albumin

    Science.gov (United States)

    Awasthi, Saurabh; Sankaranarayanan, Kamatchi; Saraswathi, N. T.

    2016-06-01

    Glycation induced amyloid fibrillation is fundamental to the development of many neurodegenerative and cardiovascular complications. Excessive non-enzymatic glycation in conditions such as hyperglycaemia results in the increased accumulation of advanced glycation end products (AGEs). AGEs are highly reactive pro-oxidants, which can lead to the activation of inflammatory pathways and development of oxidative stress. Recently, the effect of non-enzymatic glycation on protein structure has been the major research area, but the role of specific AGEs in such structural alteration and induction of fibrillation remains undefined. In this study, we determined the specific AGEs mediated structural modifications in albumin mainly considering carboxymethyllysine (CML), carboxyethyllysine (CEL), and argpyrimidine (Arg-P) which are the major AGEs formed in the body. We studied the secondary structural changes based on circular dichroism (CD) and spectroscopic analysis. The AGEs induced fibrillation was determined by Congo red binding and examination of scanning and transmission electron micrographs. The amyloidogenic regions in the sequence of BSA were determined using FoldAmyloid. It was observed that CEL modification of BSA leads to the development of fibrillar structures, which was evident from both secondary structure changes and TEM analysis.

  4. Recent Developments in Doping and Structural Modification of Ceria-Based Catalysts

    Institute of Scientific and Technical Information of China (English)

    Feng Changgen; Fan Guodong

    2005-01-01

    Recent development in the modification of ceria-based catalysts for exhaust gas treatment was reviewed with the dependence of redox properties on structural characters of materials. The doping of ceria with different cations such as rare earth or transition metal oxides results in improvement of structural stability, catalytic function and resistance to sintering at high temperatures. Aging and reduction treatment at high temperatures promote ceria reduction and is beneficial for oxygen storage capacity of the three-way catalysts. Chemical filing technique is very effective in modifying the redox property in the low temperature regions.

  5. Electronic excitation induced structural and optical modifications in InGaN/GaN quantum well structures grown by MOCVD

    Science.gov (United States)

    Prabakaran, K.; Ramesh, R.; Jayasakthi, M.; Surender, S.; Pradeep, S.; Balaji, M.; Asokan, K.; Baskar, K.

    2017-03-01

    The present study focuses on the electronic excitation induced structural and optical properties of InGaN/GaN quantum well (QW) structures grown by metal organic chemical vapor deposition technique. These excitations were produced using Au7+ ion irradiation with 100 MeV energy. The X-ray rocking curves intensity and full width at half-maximum values corresponding to the planes of (0 0 0 2) and (1 0 -1 5) of the irradiated QW structures show the modifications in the screw and edge-type dislocation densities vary with the ion fluences. The structural characteristics using the reciprocal space mapping indicate the intermixing effects in InGaN/GaN QW structures. Atomic force microscopy images confirmed the presence of nanostructures and the surface modification due to heavy ion irradiation. The irradiated QW structures exhibited degraded photoluminescence intensity and a subsequent decrease in the yellow luminescence band intensity with the fluences of 1 × 1011 and 5 × 1012 ions/cm2 compared to the pristine QW structures.

  6. Structural modifications induced by ion irradiation and temperature in boron carbide B{sub 4}C

    Energy Technology Data Exchange (ETDEWEB)

    Victor, G., E-mail: g.victor@ipnl.in2p3.fr [Institut de Physique Nucléaire de Lyon (IPNL), Université Lyon 1, CNRS/IN2P3, 4 rue Enrico Fermi, 69622 Villeurbanne Cedex (France); Pipon, Y.; Bérerd, N. [Institut de Physique Nucléaire de Lyon (IPNL), Université Lyon 1, CNRS/IN2P3, 4 rue Enrico Fermi, 69622 Villeurbanne Cedex (France); Institut Universitaire de Technologie (IUT) Lyon-1, Université Claude Bernard Lyon 1, 69622 Villeurbanne Cedex (France); Toulhoat, N. [Institut de Physique Nucléaire de Lyon (IPNL), Université Lyon 1, CNRS/IN2P3, 4 rue Enrico Fermi, 69622 Villeurbanne Cedex (France); CEA-DEN, Saclay, 91191 Gif-sur-Yvette (France); Moncoffre, N. [Institut de Physique Nucléaire de Lyon (IPNL), Université Lyon 1, CNRS/IN2P3, 4 rue Enrico Fermi, 69622 Villeurbanne Cedex (France); Djourelov, N. [Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, 72 Tzarigradsko chaussee blvd, BG-1784 Sofia (Bulgaria); ELI-NP, IFIN-HH, 30 Reactorului Str, MG-6 Bucharest-Magurele (Romania); Miro, S. [CEA-DEN, Service de Recherches de Métallurgie Physique, Laboratoire JANNUS, F-91191 Gif-sur-Yvette (France); Baillet, J. [Institut de Physique Nucléaire de Lyon (IPNL), Université Lyon 1, CNRS/IN2P3, 4 rue Enrico Fermi, 69622 Villeurbanne Cedex (France); Pradeilles, N.; Rapaud, O.; Maître, A. [SPCTS, UMR CNRS 7315, Centre Européen de la céramique, University of Limoges (France); Gosset, D. [CEA, Saclay, DMN-SRMA-LA2M, 91191 Gif-sur-Yvette (France)

    2015-12-15

    Already used as neutron absorber in the current French nuclear reactors, boron carbide (B{sub 4}C) is also considered in the future Sodium Fast Reactors of the next generation (Gen IV). Due to severe irradiation conditions occurring in these reactors, it is of primary importance that this material presents a high structural resistance under irradiation, both in the ballistic and electronic damage regimes. Previous works have shown an important structural resistance of boron carbide even at high neutron fluences. Nevertheless, the structural modification mechanisms due to irradiation are not well understood. Therefore the aim of this paper is to study structural modifications induced in B{sub 4}C samples in different damage regimes. The boron carbide pellets were shaped and sintered by using spark plasma sintering method. They were then irradiated in several conditions at room temperature or 800 °C, either by favoring the creation of ballistic damage (between 1 and 3 dpa), or by favoring the electronic excitations using 100 MeV swift iodine ions (S{sub e} ≈ 15 keV/nm). Ex situ micro-Raman spectroscopy and Doppler broadening of annihilation radiation technique with variable energy slow positrons were coupled to follow the evolution of the B{sub 4}C structure under irradiation.

  7. Structural modifications induced by ion irradiation and temperature in boron carbide B4C

    Science.gov (United States)

    Victor, G.; Pipon, Y.; Bérerd, N.; Toulhoat, N.; Moncoffre, N.; Djourelov, N.; Miro, S.; Baillet, J.; Pradeilles, N.; Rapaud, O.; Maître, A.; Gosset, D.

    2015-12-01

    Already used as neutron absorber in the current French nuclear reactors, boron carbide (B4C) is also considered in the future Sodium Fast Reactors of the next generation (Gen IV). Due to severe irradiation conditions occurring in these reactors, it is of primary importance that this material presents a high structural resistance under irradiation, both in the ballistic and electronic damage regimes. Previous works have shown an important structural resistance of boron carbide even at high neutron fluences. Nevertheless, the structural modification mechanisms due to irradiation are not well understood. Therefore the aim of this paper is to study structural modifications induced in B4C samples in different damage regimes. The boron carbide pellets were shaped and sintered by using spark plasma sintering method. They were then irradiated in several conditions at room temperature or 800 °C, either by favoring the creation of ballistic damage (between 1 and 3 dpa), or by favoring the electronic excitations using 100 MeV swift iodine ions (Se ≈ 15 keV/nm). Ex situ micro-Raman spectroscopy and Doppler broadening of annihilation radiation technique with variable energy slow positrons were coupled to follow the evolution of the B4C structure under irradiation.

  8. Structural parameter based modification of energy conscious ESPAR antenna system through optimization for WLAN’s dual-band operability

    CSIR Research Space (South Africa)

    Bembe, MJ

    2010-11-01

    Full Text Available single device. In this study the focus is on the modification of the antenna designs for dual-band functionality which is limited on the ESPAR antenna’s structural parameter. This modification should result in an antenna system which operates in both 2...

  9. Recent studies in heavy ion induced fission reactions

    Science.gov (United States)

    Choudhury, R. K.

    2001-08-01

    Nuclear fission process involves large scale shape changes of the nucleus, while it evolves from a nearly spherical configuration to two separated fission fragments. The dynamics of these shape changes in the nuclear many body system is governed by a strong interplay of the collective and single particle degrees of freedom. With the availability of heavy ion accelerators, there has been an impetus to study the nuclear dynamics through the investigations of nucleus--nucleus collisions involving fusion and fission process. From the various investigations carried out in the past years, it is now well recognized that there is large scale damping of collective modes in heavy ion induced fission reactions, which in other words implies that nuclear motion is highly viscous. In recent years, there have been many experimental observations in heavy ion induced fission reactions at medium bombarding energies, which suggest possible occurrence of various non-equilibrium modes of fission such as quasi-fission, fast fission and pre-equilibrium fission, where some of the internal degrees of freedom of the nucleus is not fully equilibrated. We have carried out extensive investigations on the fission fragment angular distributions at near barrier bombarding energies using heavy fissile targets. The measured fragment anisotropies when compared with the standard saddle point model (SSPM) calculations show that for projectile-target systems having zero or low ground state spins, the angular anisotropy exhibits a peak-like behaviour at the sub barrier energies, which cannot be explained by the SSPM calculations. For projectiles or targets with large ground state spins, the anomalous peaking gets washed out due to smearing of the K-distribution by the intrinsic entrance channel spins. Recently studies have been carried out on the spin distributions of fission fragments through the gamma ray multiplicity measurements. The fission fragments acquire spin mainly from two sources: (i) due to

  10. Iterative model-building, structure refinement, and density modification with the PHENIX AutoBuild Wizard

    Energy Technology Data Exchange (ETDEWEB)

    Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545, USA; Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720, USA; Department of Haematology, University of Cambridge, Cambridge CB2 0XY, England; Terwilliger, Thomas; Terwilliger, T.C.; Grosse-Kunstleve, Ralf Wilhelm; Afonine, P.V.; Moriarty, N.W.; Zwart, P.H.; Hung, L.-W.; Read, R.J.; Adams, P.D.

    2007-04-29

    The PHENIX AutoBuild Wizard is a highly automated tool for iterative model-building, structure refinement and density modification using RESOLVE or TEXTAL model-building, RESOLVE statistical density modification, and phenix.refine structure refinement. Recent advances in the AutoBuild Wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model completion algorithms, and automated solvent molecule picking. Model completion algorithms in the AutoBuild Wizard include loop-building, crossovers between chains in different models of a structure, and side-chain optimization. The AutoBuild Wizard has been applied to a set of 48 structures at resolutions ranging from 1.1 {angstrom} to 3.2 {angstrom}, resulting in a mean R-factor of 0.24 and a mean free R factor of 0.29. The R-factor of the final model is dependent on the quality of the starting electron density, and relatively independent of resolution.

  11. Electron and ion induced electron emission from metals and insulators

    CERN Document Server

    Steinbatz, M

    2001-01-01

    gradually exposed to oxygen as an experimental probe. The experimental data are fitted with an analytical model, that is able to describe the observed kinetics. The fit parameters give absolute values of sticking probabilities and of surface reaction rates. During oxidation of aluminum and magnesium also spontaneous emission of electrons (exoelectrons) is observed. This effect is quantitatively studied for different oxygen partial pressures. The experimental data also indicate a significant influence of the surface morphology on the exoemission process. An important consequence of atomic collisions in solids is ionization leading to electron ejection from the target atoms with subsequent migration through the solid. A certain fraction of these electrons finally reaches the surface and is ejected into vacuum. A standard measurement of this phenomenon is the observation of the particle (electron, ion) induced electron emission yield g, defined as the average number of ejected electrons per incoming projectile. ...

  12. Bioinspired modification of h-BN for high thermal conductive composite films with aligned structure.

    Science.gov (United States)

    Shen, Heng; Guo, Jing; Wang, Hao; Zhao, Ning; Xu, Jian

    2015-03-18

    With the development of microelectronic technology, the demand of insulating electronic encapsulation materials with high thermal conductivity is ever growing and much attractive. Surface modification of chemical inert h-BN is yet a distressing issue which hinders its applications in thermal conductive composites. Here, dopamine chemistry has been used to achieve the facile surface modification of h-BN microplatelets by forming a polydopamine (PDA) shell on its surface. The successful and effective preparation of h-BN@PDA microplatelets has been confirmed by SEM, EDS, TEM, Raman spectroscopy, and TGA investigations. The PDA coating increases the dispersibility of the filler and enhances its interaction with PVA matrix as well. Based on the combination of surface modification and doctor blading, composite films with aligned h-BN@PDA are fabricated. The oriented fillers result in much higher in-plane thermal conductivities than the films with disordered structures produced by casting or using the pristine h-BN. The thermal conductivity is as high as 5.4 W m(-1) K(-1) at 10 vol % h-BN@PDA loading. The procedure is eco-friendly, easy handling, and suitable for the practical application in large scale.

  13. Electronic Structures of Silicene Nanoribbons: Two-Edge-Chemistry Modification and First-Principles Study.

    Science.gov (United States)

    Yao, Yin; Liu, Anping; Bai, Jianhui; Zhang, Xuanmei; Wang, Rui

    2016-12-01

    In this paper, we investigate the structural and electronic properties of zigzag silicene nanoribbons (ZSiNRs) with edge-chemistry modified by H, F, OH, and O, using the ab initio density functional theory method and local spin-density approximation. Three kinds of spin polarized configurations are considered: nonspin polarization (NM), ferromagnetic spin coupling for all electrons (FM), ferromagnetic ordering along each edge, and antiparallel spin orientation between the two edges (AFM). The H, F, and OH groups modified 8-ZSiNRs have the AFM ground state. The directly edge oxidized (O1) ZSiNRs yield the same energy and band structure for NM, FM, and AFM configurations, owning to the same s p (2) hybridization. And replacing the Si atoms on the two edges with O atoms (O2) yields FM ground state. The edge-chemistry-modified ZSiNRs all exhibit metallic band structures. And the modifications introduce special edge state strongly localized at the Si atoms in the edge, except for the O1 form. The modification of the zigzag edges of silicene nanoribbons is a key issue to apply the silicene into the field effect transistors (FETs) and gives more necessity to better understand the experimental findings.

  14. Stability of magnetic nano-structures with respect to shape modifications

    Science.gov (United States)

    Blachowicz, T.; Ehrmann, A.

    2016-08-01

    Magnetic nano-structures can be used for various applications. Examinations of nano-structured systems often aim at decreasing pattern sizes due to their possible utilization in data storage media, in order to enhance the possible information density in a given area. This scaling process, however, is limited by the resolution of the lithography process which is used to produce the nano-particles. Thus the influence of shape modifications on the magnetic properties is important to be examined, especially the correlation between small form changes and magnetization reversal processes or coercive fields. In a recent project, square nanoparticles from permalloy were simulated using Magpar. Simulations were performed for the ideal geometric shape used in the lithography process, for the realistic shape of the produced nano-particles as obtained by SEM, and for intermediate steps between these extreme shapes. This study allows for estimation of the reliability of magnetic properties of nano-structures with respect to shape modifications in the lithography process.

  15. Structural basis for DNA recognition by FoxO1 and its regulation by posttranslational modification.

    Science.gov (United States)

    Brent, Michael M; Anand, Ruchi; Marmorstein, Ronen

    2008-09-10

    FoxO transcription factors regulate the transcription of genes that control metabolism, cellular proliferation, stress tolerance, and possibly life span. A number of posttranslational modifications within the forkhead DNA-binding domain regulate FoxO-mediated transcription. We describe the crystal structures of FoxO1 bound to three different DNA elements and measure the change in FoxO1-DNA affinity with acetylation and phosphorylation. The structures reveal additional contacts and increased DNA distortion for the highest affinity DNA site. The flexible wing 2 region of the forkhead domain was not observed in the structures but is necessary for DNA binding, and we show that p300 acetylation in wing 2 reduces DNA affinity. We also show that MST1 phosphorylation of FoxO1 prevents high-affinity DNA binding. The observation that FoxO-DNA affinity varies between response elements and with posttranslational modifications suggests that modulation of FoxO-DNA affinity is an important component of FoxO regulation in health and misregulation in disease.

  16. Structural visualization of expert nursing: Hemodialysis patient education program "behavior modification program for hemodialysis patients".

    Science.gov (United States)

    Oka, Michiyo; Kamiya, Chizuru; Sagawa, Mieko; Yamana, Eiko; Tsuru, Satoko

    2006-01-01

    Behavior modification programs (BMP) have been suggested to be useful for the self-management of hemodialysis (HD) patients. To provide more systematic care, we structured the procedure of the thinking process and care in BMPs as an algorithm. BMP developers produced a temporary algorithm based on previous studies, discussed it with nurses with BMP experience, and added and revised necessary items. As a result, an algorithm of BMP with high reproducibility that allows maintenance of consistent quality for the self-management of HD patients could be developed.

  17. Structural Modifications in Fused Silica Due to Laser Damage Induced Shock Compression

    Energy Technology Data Exchange (ETDEWEB)

    Kubota, A; Davila, L; Caturla, M J; Stolken, J S; Sadigh, B; Quong, A; Rubenchik, A; Feit, M D

    2001-12-05

    High power laser pulses can produce damage in high quality fused silica optics that can lead to its eventual obscuration and failure. Current models suggest the initiation of a plasma detonation due to absorbing initiators and defects, leading to the formation of shock waves. Recent experiments have found a densified layer at the bottom of damage sites, as evidence of the laser-damage model. We have studied the propagation of shock waves through fused silica using molecular dynamics. These simulations show drastic modifications in the structure and topology of the network, in agreement with experimental observations.

  18. STUDY ON THE METHODS OF STRUCTURAL DYNAMIC MODIFICATION OPTIMIZATION OF ROAD HEADERS

    Institute of Scientific and Technical Information of China (English)

    WuMiao; HuangMin; WangJianjun; WeiRenzhi

    1996-01-01

    In this paper, taking AM-50 Road Header as an example, the methods of structural dynamic modification optimization for road headers are studied using experimental modal analysis and physical parameters analysis. The machine's modal model and lumped mass model are established and the vibration response simulation is calculated for the two models with the load spectral measured. On the above basis, the dynamic parameters of the models are optimized and some useful results have been obtained. The research methods in this paper can be used for the reference to the other lager type mining machines.

  19. Enhanced osteointegration of medical titanium implant with surface modifications in micro/nanoscale structures

    Directory of Open Access Journals (Sweden)

    Liwen Lin

    2014-01-01

    Full Text Available Biomimetic design and substrate-based surface modification of medical implants will help to improve the integration of tissue to its material interfaces. Surface energy, composition, roughness, and topography all influence the biological responses of the implants, such as protein adsorption and cell adhesion, proliferation and differentiation. In the current study, different surface structures of Ti implants were constructed using facile surface techniques to create various micro-, nano-, and nano/micro composite scale topography. We have fabricated three types of hierarchical structures of TiO2 coating on Ti implants, including nanotube structure, nano sponge-like structure, and nano/micro nest-like structure. The osteointegration and biomechanical performance of the coated Ti screws were evaluated by histology and removal of torque force test in vivo. We found that the nano/micro nest-like and nanotube structured surface possessed better osteointegration ability. It indicated that the alkaline hydrothermally treated Ti substrate was the best for bone-implant integration in terms of all in vitro and in vivo testing parameters. The alkaline hydrothermally treated surface displayed a hydrophilic (contact angle value 5.92 ± 1.2, higher roughness (Ra value 911.3 ± 33.8 nm, higher specific surface area (8.26 ± 1.051 m2/g, and greater apatite inductivity. The electrochemical surface modification may become a powerful approach to enhance metal implant to bone integration in orthopaedic applications.

  20. Diamond single crystal-surface modification under high- fluence ion irradiation

    Science.gov (United States)

    Anikin, V. A.; Borisov, A. M.; Kazakov, V. A.; Mashkova, E. S.; Palyanov, Yu N.; Popov, V. P.; Shmytkova, E. A.; Sigalaev, S. K.

    2016-09-01

    The modification of (111) face of synthetic diamond has been studied experimentally for high-fluence 30 keV argon bombardment. It has been found that ion irradiation leads to the electrically conductive layer formation the sheet resistance of which decreases more than 100 times while changing the temperature of the irradiated diamond from 70 to 400 oC. This effect, as well as significant changes of optical transmittance after ion irradiation are associated with ion-induced structural changes of irradiated diamond obtained by the methods of Raman spectroscopy.

  1. Proximity-activated nanoparticles: in vitro performance of specific structural modification by enzymatic cleavage

    Directory of Open Access Journals (Sweden)

    R Adam Smith

    2008-03-01

    Full Text Available R Adam Smith, Sarah L Sewell, Todd D GiorgioDepartment of Biomedical Engineering, Vanderbilt University, Nashville, TN, USAAbstract: The development and in vitro performance of a modular nanoscale system capable of specific structural modification by enzymatic activity is described in this work. Due to its small physical size and adaptable characteristics, this system has the potential for utilization in targeted delivery systems and biosensing. Nanoparticle probes were synthesized containing two distinct fluorescent species including a quantum dot base particle and fluorescently labeled cleavable peptide substrate. Activity of these probes was monitored by gel electrophoresis with quantitative cleavage measurements made by fluorometric analysis. The model proximity-activated nanoparticles studied here exhibit significant susceptibility to cleavage by matrix metalloprotease-7 (MMP-7 at physiologically relevant concentrations, with nearly complete cleavage of available substrate molecules after 24 hours. This response is specific to MMP-7 enzyme activity, as cleavage is completely inhibited with the addition of EDTA. Utilization of enzyme-specific modification is a sensitive approach with broad applications for targeted therapeutics and biosensing. The versatility of this nanoparticle system is highlighted in its modular design, as it has the capability to integrate characteristics for detection, biosensing, targeting, and payload delivery into a single, multifunctional nanoparticle structure.Keywords: quantum dot, MMP-7, protease, proximity activated nanoparticle

  2. Ion beam modifications of defect sub-structure of calcite cleavages

    Indian Academy of Sciences (India)

    E Venkateshwar Rao; M Ramakrishna Murthy

    2008-04-01

    Experimental investigations on the defect sub-structure and surface modifications, brought about by He+ ion-bombardment of calcite cleavages (100), have been carried out. Optical and scanning electron microscopic investigations revealed drastic modifications on the surface morphology, local symmetry and defect concentration. Additional structural defects on ion-bombardment of calcite surfaces also have been observed. Changes in shape and form of chemical etch pits are found to be a function of ion-beam energy, as studied by optical microscopy. Radiation damage in calcite has been attributed mainly due to desorption of CO$^{-2}_{3}$ ions from the calcite surfaces, on irradiation. Measurements of surface conductivity on irradiated calcite surfaces have been made employing a four-probe technique. Enhancement of surface conductivity has been considered to be due to an increase in concentration of CO$^{-2}_{3}$ ions formed, on ion irradiation and subsequent thermal stimulation. Planar plastic anisotropy has been studied on irradiated calcite cleavages by measurement of microhardness.

  3. [Phospholipids and structural modification of tissues and cell membranes for adaptation in high altitude mountains].

    Science.gov (United States)

    Iakovlev, V M; Vishnevskiĭ, A A; Shanazarov, A S

    2012-01-01

    The nature of the impact of physical factors of high altitudes (3200 m) on the lipids of tissues and membranes of animals was researched. It was established that the adaptation process in Wistar rats was followed by peroxide degradation and subsequent modification of the phospholipids' structure of tissues and microsomal membranes. Adaptive phospholipids reconstruction takes place in microsomal membranes in the tissues of the lungs, brain, liver and skeletal muscles. Together with this, the amount of phosphatidylinositol and phosphatidic acid accumulates, indicating that the hydrolysis of phosphatidylinositol-4, 5 biphosphate to diacylglycerol and secondary messenger--inositol triphosphate, occurs. A decrease in temperature adaptation (+10 degrees C) leads to a more noticeable shift in peroxide oxidation of lipids, phospholipid structure in the tissues and membranes rather than adaptation in thermoneutral conditions (+30 degrees C). Modification of lipid composition of tissues and cell membranes in the highlands obviously increases the adaptive capabilities of cells of the whole body: physical performance and resistance to hypoxia increases in animals.

  4. Crystal structure of a PCP/Sfp complex reveals the structural basis for carrier protein posttranslational modification.

    Science.gov (United States)

    Tufar, Peter; Rahighi, Simin; Kraas, Femke I; Kirchner, Donata K; Löhr, Frank; Henrich, Erik; Köpke, Jürgen; Dikic, Ivan; Güntert, Peter; Marahiel, Mohamed A; Dötsch, Volker

    2014-04-24

    Phosphopantetheine transferases represent a class of enzymes found throughout all forms of life. From a structural point of view, they are subdivided into three groups, with transferases from group II being the most widespread. They are required for the posttranslational modification of carrier proteins involved in diverse metabolic pathways. We determined the crystal structure of the group II phosphopantetheine transferase Sfp from Bacillus in complex with a substrate carrier protein in the presence of coenzyme A and magnesium, and observed two protein-protein interaction sites. Mutational analysis showed that only the hydrophobic contacts between the carrier protein's second helix and the C-terminal domain of Sfp are essential for their productive interaction. Comparison with a similar structure of a complex of human proteins suggests that the mode of interaction is highly conserved in all domains of life.

  5. Swift heavy ion induced modifications of single walled carbon nanotube thin films

    Energy Technology Data Exchange (ETDEWEB)

    Vishalli, E-mail: vishalli_2008@yahoo.com [Department of Physics, Panjab University, Chandigarh 160014 (India); Raina, K.K. [Materials Research Laboratory, School of Physics and Materials Science, Thapar University, P.O. Box 32, Patiala 147004, Punjab (India); Avasthi, D.K. [Materials Science Group, Inter University Accelerator Centre, Aruna Asaf Ali Marg, P.O. Box 10502, New Delhi 110067 (India); Srivastava, Alok [Department of Chemistry, Panjab University, Chandigarh 160014 (India); Dharamvir, Keya [Department of Physics, Panjab University, Chandigarh 160014 (India)

    2016-04-15

    Thin films of single walled carbon nanotubes (SWCNTs) were prepared by Langmuir–Blodgett method and irradiated with swift heavy ions, carbon and nickel each of energy 60 MeV. The ion beams have different electronic energy loss (S{sub e}) values and the samples were exposed to various irradiation doses. The irradiated films were characterized using Raman and optical absorption spectroscopy. Raman spectroscopy results indicate the competing processes of defect creation and healing (annealing) of SWCNTs at lower fluences, while at higher fluences defect creation or damage dominates. In UV–Vis–NIR spectroscopy we find that there is decrease in the intensity of characteristic peaks with every increasing fluence, indicating decrease in the optically active states with irradiation.

  6. Swift heavy ion induced modification in morphological and physico-chemical properties of tin oxide nanocomposites

    Science.gov (United States)

    Jaiswal, Manoj Kumar; Kanjilal, D.; Kumar, Rajesh

    2013-11-01

    Nanocomposite thin films of tin oxide (SnO2)/titanium oxide (TiO2) were grown on silicon (1 0 0) substrates by electron beam evaporation deposition technique using sintered nanocomposite pellet of SnO2/TiO2 in the percentage ratio of 95:5. Sintering of the nanocomposite pellet was done at 1300 °C for 24 h. The thicknesses of these films were measured to be 100 nm during deposition using piezo-sensor attached to the deposition chamber. TiO2 doped SnO2 nanocomposite films were irradiated by 100 MeV Au8+ ion beam at fluence range varying from 1 × 1011 ions/cm2 to 5 × 1013 ions/cm2 at Inter University Accelerator Center (IUAC), New Delhi, India. Chemical properties of pristine and ion irradiation modified thin films were characterized by Fourier Transform Infrared (FTIR) spectroscopy. FTIR peak at 610 cm-1 confirms the presence of O-Sn-O bridge of tin (IV) oxide signifying the composite nature of pristine and irradiated thin films. Atomic Force Microscope (AFM) in tapping mode was used to study the surface morphology and grain growth due to swift heavy ion irradiation at different fluencies. Grain size calculations obtained from sectional analysis of AFM images were compared with results obtained from Glancing Angle X-ray Diffraction (GAXRD) measurements using Scherrer’s formulae. Phase transformation due to irradiation was observed from Glancing Angle X-ray Diffraction (GAXRD) results. The prominent 2θ peaks observed in GAXRD spectrum are at 30.67°, 32.08°, 43.91°, 44.91° and 52.35° in the irradiated films.

  7. High energy oxygen ion induced modifications in lead based perovskite thin films

    Energy Technology Data Exchange (ETDEWEB)

    Jali, V.M. [Department of Physics, Gulbarga University, Gulbarga - 585 106 (India)]. E-mail: vmjali@rediffmail.com; Angadi, Basavaraj [Thin Films Materials Research Center, Korea Institute of Science and Technology, Seoul 130-650 (Korea, Republic of); Venkateswarlu, P. [Solar Panels Division, ISRO Satellite Centre, Bangalore - 560 017 (India); Kumar, Ravi [Materials Science Division, Inter University Accelerator Center, New-Delhi - 110 067 (India); Krupanidhi, S.B. [Materials Research Centre, Indian Institute of Science, Bangalore - 560 012 (India)

    2007-07-15

    The lead based ferroelectric PbZr{sub 0.53}Ti{sub 0.47}O{sub 3} (PZT), (Pb{sub 0.90}La{sub 0.10})TiO{sub 3} (PLT10) and (Pb{sub 0.80}La{sub 0.20})TiO{sub 3} (PLT20) thin films, prepared by pulsed laser ablation technique, were studied for their response to the 70 MeV oxygen ion irradiation. The dielectric analysis, capacitance-voltage (C-V) and DC leakage current measurements were performed before and after the irradiation to high-energy oxygen ions. The irradiation produced considerable changes in the dielectric, C-V, leakage characteristics and induced some amount of amorphization. The PZT films showed partial recrystallization after a thermal annealing at 400 deg. C for 10 min. The phase transition temperature [T {sub c}] of PLT20 increased from 115 deg. C to 120 deg. C. The DC conductivity measurements showed a shift in the onset of non-linear conduction region. The current density decreased by two orders of magnitude after irradiation. After annealing the irradiated films at a temperature of 400 deg. C for 10 min, the films partially regained the dielectric and electrical properties. The results are discussed in terms of the irradiation-induced amorphization, the pinning of the ferroelectric domains by trapped charges and the thermal annealing of the defects generated during the irradiation.

  8. Recent studies in heavy ion induced fission reactions

    Indian Academy of Sciences (India)

    R K Choudhury

    2001-08-01

    Nuclear fission process involves large scale shape changes of the nucleus, while it evolves from a nearly spherical configuration to two separated fission fragments. The dynamics of these shape changes in the nuclear many body system is governed by a strong interplay of the collective and single particle degrees of freedom. With the availability of heavy ion accelerators, there has been an impetus to study the nuclear dynamics through the investigations of nucleus–nucleus collisions involving fusion and fission process. From the various investigations carried out in the past years, it is now well recognized that there is large scale damping of collective modes in heavy ion induced fission reactions, which in other words implies that nuclear motion is highly viscous. In recent years, there have been many experimental observations in heavy ion induced fission reactions at medium bombarding energies, which suggest possible occurrence of various non-equilibrium modes of fission such as quasi-fission, fast fission and pre-equilibrium fission, where some of the internal degrees of freedom of the nucleus is not fully equilibrated. We have carried out extensive investigations on the fission fragment angular distributions at near barrier bombarding energies using heavy fissile targets. The measured fragment anisotropies when compared with the standard saddle point model (SSPM) calculations show that for projectile-target systems having zero or low ground state spins, the angular anisotropy exhibits a peak-like behaviour at the sub barrier energies, which cannot be explained by the SSPM calculations. For projectiles or targets with large ground state spins, the anomalous peaking gets washed out due to smearing of the -distribution by the intrinsic entrance channel spins. Recently studies have been carried out on the spin distributions of fission fragments through the gamma ray multiplicity measurements. The fission fragments acquire spin mainly from two

  9. STRUCTURAL MODIFICATION OF NEW FORMATIONS IN CEMENT MATRIX USING CARBON NANOTUBE DISPERSIONS AND NANOSILICA

    Directory of Open Access Journals (Sweden)

    B. M. Khroustalev

    2017-01-01

    Full Text Available Complex nanodispersed systems with multi-walled carbon nanotubes and nanodispersed silica have a significant impact on the processes of hydration, hardening and strength gain of construction composites predetermining their durability. While using a scanning electron microscope with an attachment for X-ray microanalysis and a device for infrared spectral analysis investigations have shown that the main effect of the cement matrix modification in the case of adding complex nanodispersed systems is provided by direct influence of hydration processes with subsequent crystallization of new formations. It has been noted that while adding carbon nanotube dispersion and nanosized silica a binding matrix is structured in the form of an extremely dense shell from crystalline hydrate new formations on the surface of solid phases that provides strong binding matrix in cement concrete. The addition effect of carbon nanotubes has been analyzed and quantitatively assessed through an investigation for every case of one sample with nanotubes and one sample without them with the help of a nanoindenter and scanning electron microscope. It is necessary to solve rather complicated challenging task in order to assess quantitatively the addition effect of CNT on material characteristics at a micromechanical level. At the same time it is possible to investigate surface of a concrete sample with one-micron resolution. In this case it is necessary to prepare samples for nanoindentation with exclusion of all CNT defectable effects that have been shown by a SEM. So in this case more adequate method for assessment must be a picoindenter , which combines a test method for nanoindentation with an optical SEM potential. Such equipment is in the stage of in-situ testing process at the Vienna University of Technology. The investigation is based on the fact that the main modification effect of mineral binding matrix while using incorporated complex nanodispersed systems and

  10. Nano-structural Modification of Amorphous Carbon Thin Films by Low-energy Electron Beam Irradiation

    Institute of Scientific and Technical Information of China (English)

    EijiIwamura; MasanoriYamaguchi

    2004-01-01

    A new approach using a low-energy electron beam radiation system was investigated to synthesize carbon hybrid structures in amorphous carbon thin films. Two types of amorphous carbon films, which were 15at% iron containing film and with column/inter-column structures, were deposited onto Si substrates by a sputtering technique and subsequently exposed to an electron shower of which the energy and dose rate were much smaller compared to an intense electron beam used in a transmission electron microscopy. As a result of the low-energy and low-dose electron irradiation process, graphitic structures formed in amorphous matrix at a relatively low temperature up to 450 K. Hybrid carbon thin films containing onion-like structures in an amorphous carbon matrix were synthesized by dynamic structural modification of iron containing amorphous carbon thin films. It was found that the graphitization progressed more in the electron irradiation than in annealing at 773K, and it was attributed to thermal and catalytic effects which are strongly related to grain growth of metal clusters. On the other hand, a reversal of TEM image contrast was observed in a-C films with column/inter-column structures. It is presumed that preferable graphitization occurred in the inter-column regions induced by electron irradiation.

  11. Nano-structural Modification of Amorphous Carbon Thin Films by Low-energy Electron Beam Irradiation

    Institute of Scientific and Technical Information of China (English)

    Eiji Iwamura; Masanori Yamaguchi

    2004-01-01

    A new approach using a low-energy electron beam radiation system was investigated to synthesize carbon hybrid structures in amorphous carbon thin films. Two types of amorphous carbon films, which were 15at% iron containing film and with column/inter-column structures, were deposited onto Si substrates by a sputtering technique and subsequently exposed to an electron shower of which the energy and dose rate were much smaller compared to an intense electron beam used in a transmission electron microscopy. As a result of the low-energy and low-dose electron irradiation process,graphitic structures formed in amorphous matrix at a relatively low temperature up to 450 K. Hybrid carbon thin films containing onion-like structures in an amorphous carbon matrix were synthesized by dynamic structural modification of iron containing amorphous carbon thin films. It was found that the graphitization progressed more in the electron irradiation than in annealing at 773K, and it was attributed to thermal and catalytic effects which are strongly related to grain growth of metal clusters. On the other hand, a reversal of TEM image contrast was observed in a-C films with column/inter-column structures. It is presumed that preferable graphitization occurred in the inter-column regions induced by electron irradiation.

  12. Structural insights into DNA sequence recognition by Type ISP restriction-modification enzymes.

    Science.gov (United States)

    Kulkarni, Manasi; Nirwan, Neha; van Aelst, Kara; Szczelkun, Mark D; Saikrishnan, Kayarat

    2016-05-19

    Engineering restriction enzymes with new sequence specificity has been an unaccomplished challenge, presumably because of the complexity of target recognition. Here we report detailed analyses of target recognition by Type ISP restriction-modification enzymes. We determined the structure of the Type ISP enzyme LlaGI bound to its target and compared it with the previously reported structure of a close homologue that binds to a distinct target, LlaBIII. The comparison revealed that, although the two enzymes use almost a similar set of structural elements for target recognition, the residues that read the bases vary. Change in specificity resulted not only from appropriate substitution of amino acids that contacted the bases but also from new contacts made by positionally distinct residues directly or through a water bridge. Sequence analyses of 552 Type ISP enzymes showed that the structural elements involved in target recognition of LlaGI and LlaBIII were structurally well-conserved but sequentially less-conserved. In addition, the residue positions within these structural elements were under strong evolutionary constraint, highlighting the functional importance of these regions. The comparative study helped decipher a partial consensus code for target recognition by Type ISP enzymes.

  13. Cavity-induced modifications of molecular structure in the strong coupling regime

    CERN Document Server

    Galego, Javier; Feist, Johannes

    2015-01-01

    In most theoretical descriptions of collective strong coupling of organic molecules to a cavity mode, the molecules are modeled as simple two-level systems. This picture fails to describe the rich structure provided by their internal rovibrational (nuclear) degrees of freedom. We investigate a first-principles model that fully takes into account both electronic and nuclear degrees of freedom, allowing an exploration of the phenomenon of strong coupling from an entirely new perspective. First, we demonstrate the limitations of applicability of the Born-Oppenheimer approximation in strongly coupled molecule-cavity structures. For the case of two molecules, we also show how dark states, which within the two-level picture are effectively decoupled from the cavity, are indeed affected by the formation of collective strong coupling. Finally, we discuss ground-state modifications in the ultra-strong coupling regime and show that some molecular observables are affected by the collective coupling strength, while other...

  14. Brownian dynamics simulation of the effect of histone modification on nucleosome structure

    Science.gov (United States)

    Li, Wei; Dou, Shuo-Xing; Xie, Ping; Wang, Peng-Ye

    2007-05-01

    Using Brownian dynamics we simulate the effect of histone modification, such as phosphorylation, acetylation, and methylation, on nucleosome structure by varying the interaction force between DNA and the histone octamer. The simulation shows that the structural stability of nucleosome is very sensitive to the interaction force, and the DNA unwrapping from the modified histone octamer usually occurs turn by turn. Furthermore, the effects of temperature and DNA break as well as the competition between modified and normal histone octamers are investigated, with the simulation results being in agreement with the experimental observation that phosphorylated nucleosomes near DNA breaks are more easily depleted. Though the simulation study may only give a coarse grained view of the DNA unwrapping process for the modified histone octamer, it may provide insight into the mechanism of DNA repair.

  15. Structural modification of hemicelluloses and lignin based on the biorefinery process with white-rot fungal.

    Science.gov (United States)

    Ma, Jian-Feng; Yang, Hai-Yan; Kun, Wang; Liu, Xing-E

    2016-11-20

    On the concept of biorefinery, hemicellulosic and lignin fractions were isolated from white-rot fungal Trametes velutina D10149 biodegraded poplar, and the structural modification was elucidated in detail according to the different incubation duration. Transversal-section Raman images showed that the fiber secondary walls were preferentially degraded, whereas the compound middle lamellae, including the cell corner regions, were mainly intact after 16 weeks incubation. More importantly, lignin and carbohydrates were simultaneously removed within the fiber secondary wall. From wet chemistry analysis, the yields and structural properties for both hemicellulosic and lignin fractions were not significantly altered. The synergistic effect of ligninolytic system finally obviously appeared after 16 weeks incubation, evidenced by the remarkable decrement of hemicellulose and lignin molecular weights. Additionally, the preferential degradation of S units in lignin biomacromolecule was further confirmed by composition analysis of cell wall phenolics and the integration of 2D NMR correlations in the aromatic region. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Concerted Flexibility of Chromatin Structure, Methylome, and Histone Modifications along with Plant Stress Responses

    Directory of Open Access Journals (Sweden)

    Ana Paula Santos

    2017-01-01

    Full Text Available The spatial organization of chromosome structure within the interphase nucleus, as well as the patterns of methylome and histone modifications, represent intersecting layers that influence genome accessibility and function. This review is focused on the plastic nature of chromatin structure and epigenetic marks in association to stress situations. The use of chemical compounds (epigenetic drugs or T-DNA-mediated mutagenesis affecting epigenetic regulators (epi-mutants are discussed as being important tools for studying the impact of deregulated epigenetic backgrounds on gene function and phenotype. The inheritability of epigenetic marks and chromatin configurations along successive generations are interpreted as a way for plants to “communicate” past experiences of stress sensing. A mechanistic understanding of chromatin and epigenetics plasticity in plant response to stress, including tissue- and genotype-specific epigenetic patterns, may help to reveal the epigenetics contributions for genome and phenotype regulation.

  17. The influence of modification by superdispersed powders on the lead-tin-base bronze structure

    Science.gov (United States)

    Semenkov, I. V.; Martyushev, N. V.; Popelyukh, A. I.; Alpeisov, A. T.; Drozdov, Yu Yu; Zykova, A. P.

    2016-04-01

    The paper presents data on the influence of additives of the pre-treated aluminium oxide powder on the structure of cast lead-tin-based bronzes. Different quantities of the modifier, based on the superdispersed aluminum oxide powder, were added to the bronze melt. The studies have shown that addition of a small amount of aluminum oxide powder (0.07... 0.25 %) allows modifying the micro structure of the obtained castings. This modification includes grain refinement, reduction of the matrix dendrites size of tin solid solution in copper, as well as formation of spherical inclusions of the low-melting phase - lead. In this case, the addition of such modifier influences weakly the morphology and the quantity of solid eutectoid inclusions based on electron compound Cu31 Sn8.

  18. Structural modifications of graphyne layers consisting of carbon atoms in the sp- and sp{sup 2}-hybridized states

    Energy Technology Data Exchange (ETDEWEB)

    Belenkov, E. A., E-mail: belenkov@csu.ru [Chelyabinsk State University (Russian Federation); Mavrinskii, V. V. [Nosov Magnitogorsk State Technical University (Russian Federation); Belenkova, T. E.; Chernov, V. M. [Chelyabinsk State University (Russian Federation)

    2015-05-15

    A model scheme is proposed for obtaining layered compounds consisting of carbon atoms in the sp- and (vnsp){sup 2}-hybridized states. This model is used to find the possibility of existing the following seven basic structural modifications of graphyne: α-, β1-, β2-, β3-, γ1-, γ2-, and γ3-graphyne. Polymorphic modifications β3 graphyne and γ3 graphyne are described. The basic structural modifications of graphyne contain diatomic polyyne chains and consist only of carbon atoms in two different crystallographically equivalent states. Other nonbasic structural modifications of graphyne can be formed via the elongation of the carbyne chains that connect three-coordinated carbon atoms and via the formation of graphyne layers with a mixed structure consisting of basic layer fragments, such as α-β-graphyne, α-γ-graphyne, and β-γ-graphyne. The semiempirical quantum-mechanical MNDO, AM1, and PM3 methods and ab initio STO6-31G basis calculations are used to find geometrically optimized structures of the basic graphyne layers, their structural parameters, and energies of their sublimation. The energy of sublimation is found to be maximal for γ2-graphyne, which should be the most stable structural modification of graphyne.

  19. Light-Ion-Induced Multifragmentation: The ISiS Project

    CERN Document Server

    Viola, V E

    2006-01-01

    An extensive study of GeV light-ion-induced multifragmentation and its possible interpretation in terms of a nuclear liquid-gas phase transition has been performed with the Indiana Silicon Sphere (ISiS)4 pi detector array. Measurements were performed with 5-15 GeV/c p, pbar, and pion beams incident on $^{197}$Au and 2-5 GeV $^3$He incident on $^{nat}$Ag and $^{197}$Au targets. Both the reaction dynamics and the subsequent decay of the heavy residues have been explored. The data provide evidence for a dramatic change in the reaction observables near an excitation energy of E*/A = 4-5 MeV per residue nucleon. In this region, fragment multiplicities and energy spectra indicate emission from an expanded/dilute source on a very short time scale (20-50 fm/c). These properties, along with caloric curve and scaling-law behavior, yield a pattern that is consistent with a nuclear liquid-gas phase transition.

  20. Light-ion-induced multifragmentation: The ISiS project

    Science.gov (United States)

    Viola, V. E.; Kwiatkowski, K.; Beaulieu, L.; Bracken, D. S.; Breuer, H.; Brzychczyk, J.; de Souza, R. T.; Ginger, D. S.; Hsi, W.-C.; Korteling, R. G.; Lefort, T.; Lynch, W. G.; Morley, K. B.; Legrain, R.; Pienkowski, L.; Pollacco, E. C.; Renshaw, E.; Ruangma, A.; Tsang, M. B.; Volant, C.; Wang, G.; Yennello, S. J.; Yoder, N. R.

    2006-11-01

    An extensive study of GeV light-ion-induced multifragmentation and its possible interpretation in terms of a nuclear liquid-gas phase transition has been performed with the Indiana Silicon Sphere (ISiS) 4π detector array. Measurements were performed with 5-15 GeV/ c p, pbar, and π- beams incident on 197Au and 2-5 GeV 3He incident on natAg and 197Au targets. Both the reaction dynamics and the subsequent decay of the heavy residues have been explored. The data provide evidence for a dramatic change in the reaction observables near an excitation energy of E*/A=4-5 MeV/residue nucleon. In this region, fragment multiplicities and energy spectra indicate emission from an expanded/dilute source on a very short time scale (20-50 fm/ c). These properties, along with caloric curve and scaling-law behavior, yield a pattern that is consistent with a nuclear liquid-gas phase transition.

  1. Heavy-ion induced genetic changes and evolution processes

    Science.gov (United States)

    Yang, C. H.; Craise, L. M.; Durante, M.; Mei, M.

    1994-01-01

    On Moon and Mars, there will be more galactic cosmic rays and higher radiation doses than on Earth. Our experimental studies showed that heavy ion radiation can effectively cause mutation and chromosome aberrations and that high Linear Energy Transfer (LET) heavy-ion induced mutants can be irreversible. Chromosome translocations and deletions are common in cells irradiated by heavy particles, and ionizing radiations are effective in causing hyperploidy. The importance of the genetic changes in the evolution of life is an interesting question. Through evolution, there is an increase of DNA content in cells from lower forms of life to higher organisms. The DNA content, however, reached a plateau in vertebrates. By increasing DNA content, there can be an increase of information in the cell. For a given DNA content, the quality of information can be changed by rearranging the DNA. Because radiation can cause hyperploidy, an increase of DNA content in cells, and can induce DNA rearrangement, it is likely that the evolution of life on Mars will be effected by its radiation environment. A simple analysis shows that the radiation level on Mars may cause a mutation frequency comparable to that of the spontaneous mutation rate on Earth. To the extent that mutation plays a role in adaptation, radiation alone on Mars may thus provide sufficient mutation for the evolution of life.

  2. Structural modifications at the C-4 position strongly affect the glucuronidation of 6,7-dihydroxycoumarins.

    Science.gov (United States)

    Xia, Yang-Liu; Ge, Guang-Bo; Wang, Ping; Liang, Si-Cheng; He, Yu-Qi; Ning, Jing; Qian, Xing-Kai; Li, Yan; Yang, Ling

    2015-04-01

    Esculetin (6,7-dihydroxycoumarin) and its C-4 derivatives have multiple pharmacologic activities, but the poor metabolic stability of these catechols has severely restricted their application in the clinic. Glucuronidation plays important roles in catechols elimination, although thus far the effects of structural modifications on the metabolic selectivity and the catalytic efficacy of the human UDP-glucuronosyltransferase (UGT) enzymes remain unclear. This study was aimed at exploring the structure-glucuronidation relationship of esculetin and its C-4 derivatives, including 4-methyl esculetin, 4-phenyl esculetin, and 4-hydroxymethyl esculetin as well as 4-acetic acid esculetin. It was achieved by identifying the main human UGTs responsible for the different reactions and by careful characterization of the reactions kinetics. These catechols, with the exception of 4-acetic acid esculetin, are selectively metabolized to the corresponding 7-O-glucuronides. UGT1A6 and UGT1A9 are the two major UGTs involved in the 7-O-glucuronidation of 4-methyl esculetin and esculetin. UGT1A6 was the major contributor for 7-O-glucuronidation of 4-hydroxymethyl esculetin, and UGT1A9 played a significant role in the 7-O-glucuronidation of 4-phenyl esculetin. The results of the kinetic analyses revealed that the Km values of the compounds, in both UGT1A9 and human liver microsomes, decreased with increasing hydrophobicity of the C-4 substitutions. The outcome of this was that C-4 hydrophobic and hydrophilic groups on 6,7-dihydroxycoumarin exhibited contrasting effects on UGT affinity. All of these findings provide helpful guidance for further structural modification of 6,7-dihydroxycoumarins with improved metabolic stability.

  3. Effects and Mechanism of Titanium Modification on Structures of Cast Steel ZG270-500

    Institute of Scientific and Technical Information of China (English)

    WANG Haitao; TAN Jiwen; HUANG Liping

    2012-01-01

    The influences of titanium modification on the solidification behavior,shrinkage characteristic and primary austenite refinement of cast steel ZG270-500 smelted in intermediate frequency induction furnace were studied.0.15wt% titanium modification increased the fluidity of the steel liquid,enhanced the feeding capacity of cast steel,changed the dispersed shrinkage porosity to concentrated shrinkage cavity,turned the coarse dendrites into fine equiaxed grain structures and greatly reduced the primary austenite grain size.By scanning electron microscope (SEM) and energy disperse spectroscope (EDS) analysis,it was found that titanium combined with carbon to be solid phase particles TiC,with high melting point,to promote the primary austenite nucleation authentically by non-spontaneous nucleating.The crystal lattice match growing model between γ-Fe and TiC was established.The mechanism of TiC heterogeneous nucleating existed in that the primary austenite grew up by { 111 }γ-Fe parallel to the closest packed plane { 111 } Tic in the crystal orientation γ-Fe//TiC.The crystal planes mismatch δ{111}TiC{111}γ-Fe and the lowest orientation mismatch δTiCγ-Fe were 8.18 %-and 2.25 % respectively almost achieving complete coherent lattice match growing ofaustenite on TiC.

  4. Vocal Modification Abilities and Brain Structures in Parrots – how do they Correlate?

    DEFF Research Database (Denmark)

    Harpøth, Solveig Walløe

    .e. the oval nucleus of the mesopallium, MO and 3) investigate the effect of long-­term social and sound-isolation on the vocal modification ability and on the contact call of the peach-­fronted conure, Aratinga aurea. Article 1: The social complexity hypothesis states that with a complex social structure......-­fronted conure and the budgerigar. Article 2: It has been suggested that the size of various brain regions is important for behavioral capability and also the number of neurons have been suggested to be important. Here we correlate the vocal modification ability of the peach-­fronted conure, the budgerigar...... and the peach-faced lovebird with a brain nucleus, MO, involved in vocal learning. We show that the species with the highest level of vocal complexity (i.e. the peach-fronted conure) was also the species with the largest volume of MO and the highest number of neurons in MO. The budgerigar had the smallest...

  5. Investigations on structural disorder-induced modifications in the transport behaviour of rare-earth manganites

    Indian Academy of Sciences (India)

    ZALAK JOSHI; D D PANDYA; DAVIT DHRUV; KEVAL GADANI; HETAL BORICHA; SANJAY KANSARA; J H MARKNA; P S SOLANKI; N A SHAH

    2016-08-01

    The results of the studies on structural disorder-induced modifications in the transport behaviour of La$_{0.5}$Pr$_{0.2}$Ca$_{0.3−x}$Ba$_x$MnO$_3$ (LPCBMO) ($0.05 ≤ x ≤ 0.30$) manganites were reported. Structural studies using X-ray diffraction (XRD) measurements confirmed the single phasic nature of all the samples without any detectable impurities. The A-site size disorder ($σ_2$ A) increased from $3.81 \\times 10^{−5} (x = 0.05)$ to $14.9 \\times 10−5 (x = 0.30)$. With the increase in structural disorder in LPCBMO system, the transport improved for the range: $0.15 ≤ x ≤ 0.30$, which can be ascribed to the enhancement in one electron bandwidth which dominates over the structural disorder effect, while for lower values of $x$, strong competition existed between size disorder and one electron bandwidth. Below 50 K, all $\\rho–T$ plots showed resistivity minimum behaviour, which modified with disorder. This behaviour wasdiscussed in detail on the basis of electron–electron interaction having the form: $\\rho = [1/(\\rho_0 + BT^{1/2})] + \\rho_nT_n$. Variation in temperature sensitivity with disorder was also discussed in context of granular morphology and phasesegregation scenario.

  6. Tuning reactivity of diphenylpropynone derivatives with metal-associated amyloid-β species via structural modifications.

    Science.gov (United States)

    Liu, Yuzhong; Kochi, Akiko; Pithadia, Amit S; Lee, Sanghyun; Nam, Younwoo; Beck, Michael W; He, Xiaoming; Lee, Dongkuk; Lim, Mi Hee

    2013-07-15

    A diphenylpropynone derivative, DPP2, has been recently demonstrated to target metal-associated amyloid-β (metal-Aβ) species implicated in Alzheimer's disease (AD). DPP2 was shown to interact with metal-Aβ species and subsequently control Aβ aggregation (reactivity) in vitro; however, its cytotoxicity has limited further biological applications. In order to improve reactivity toward Aβ species and lower cytotoxicity, along with gaining an understanding of a structure-reactivity-cytotoxicity relationship, we designed, prepared, and characterized a series of small molecules (C1/C2, P1/P2, and PA1/PA2) as structurally modified DPP2 analogues. A similar metal binding site to that of DPP2 was contained in these compounds while their structures were varied to afford different interactions and reactivities with metal ions, Aβ species, and metal-Aβ species. Distinct reactivities of our chemical family toward in vitro Aβ aggregation in the absence and presence of metal ions were observed. Among our chemical series, the compound (C2) with a relatively rigid backbone and a dimethylamino group was observed to noticeably regulate both metal-free and metal-mediated Aβ aggregation to different extents. Using our compounds, cell viability was significantly improved, compared to that with DPP2. Lastly, modifications on the DPP framework maintained the structural properties for potential blood-brain barrier (BBB) permeability. Overall, our studies demonstrated that structural variations adjacent to the metal binding site of DPP2 could govern different metal binding properties, interactions with Aβ and metal-Aβ species, reactivity toward metal-free and metal-induced Aβ aggregation, and cytotoxicity of the compounds, establishing a structure-reactivity-cytotoxicity relationship. This information could help gain insight into structural optimization for developing nontoxic chemical reagents toward targeting metal-Aβ species and modulating their reactivity in biological

  7. Spider silk as a load bearing biomaterial: tailoring mechanical properties via structural modifications

    Science.gov (United States)

    Brown, Cameron P.; Rosei, Federico; Traversa, Enrico; Licoccia, Silvia

    2011-03-01

    Spider silk shows great potential as a biomaterial: in addition to biocompatibility and biodegradability, its strength and toughness are greater than native biological fibres (e.g. collagen), with toughness exceeding that of synthetic fibres (e.g. nylon). Although the ultimate tensile strength and toughness at failure are unlikely to be limiting factors, its yield strain of 2% is insufficient, particularly for biomedical application because of the inability to mimic the complex ultrastructure of natural tissues with current tissue engineering approaches. To harness the full potential of spider silk as a biomaterial, it is therefore necessary to increase its yield strain. In this paper, we discuss the means by which the mechanical properties of spider silk, particularly the yield strain, can be optimized through structural modifications.

  8. Probing ion-specific effects on aqueous acetate solutions: Ion pairing versus water structure modifications

    Directory of Open Access Journals (Sweden)

    Tristan Petit

    2014-05-01

    Full Text Available The effect of monovalent cations (Li+, K+, NH4+, Na+ on the water structure in aqueous chloride and acetate solutions was characterized by oxygen K-edge X-ray absorption spectroscopy (XAS, X-ray emission spectroscopy, and resonant inelastic X-ray scattering (RIXS of a liquid microjet. We show ion- and counterion dependent effects on the emission spectra of the oxygen K-edge, which we attribute to modifications of the hydrogen bond network of water. For acetates, ion pairing with carboxylates was also probed selectively by XAS and RIXS. We correlate our experimental results to speciation data and to the salting-out properties of the cations.

  9. Peroxynitrite-mediated oxidative modifications of myosin and implications on structure and function.

    Science.gov (United States)

    Tiago, Teresa; Palma, Pedro S; Gutierrez-Merino, Carlos; Aureliano, Manuel

    2010-11-01

    Abstract The peroxynitrite-induced functional impairment of myosin was studied in different reaction conditions, known to alter the oxidative chemistry of peroxynitrite, to better understand the molecular mechanisms of this interaction. It is shown that peroxynitrite is able to enhance the basal MgATPase activity up to 2-fold while inhibiting the actin-stimulated ATPase activity of myosin and that the extent of these functional alterations is dependent on the reaction medium. The observed changes in the stimulation of the MgATPase activity correlate with the extent of carbonyl formation in myosin. The enzyme inhibition is more potent in conditions where the efficiency of tyrosine nitration and peroxynitrite reactivity towards sulphydryls are lower. Together with the observation that reversion of sulphydryl oxidation did not lead to the recovery of myosin functional and structural impairments, these results point out to the importance of protein carbonylation as a post-translational modification in the peroxynitrite-induced myosin functional impairment.

  10. Surface modification of cellulosic substrates via atmospheric pressure plasma polymerization of acrylic acid: Structure and properties

    Science.gov (United States)

    Garcia-Torres, Jose; Sylla, Dioulde; Molina, Laura; Crespo, Eulalia; Mota, Jordi; Bautista, Llorenç

    2014-06-01

    Surface chemical modification of cellulose-based substrates has been carried out by atmospheric pressure plasma enhanced chemical vapor deposition (AP-PECVD) of acrylic acid. The structure/properties relationship of the samples was studied as a function of the plasma experimental conditions. Acrylic acid monomer/helium ratio and treatment speed clearly influences the wettability properties of the paper substrate: advancing contact angle values were reduced to the half if compare to non-treated paper. Surface morphology of the films did not greatly vary at short polymerization times but fibers were covered by a poly(acrylic acid) film at longer times. FTIR and XPS techniques allowed detecting the retention of carboxylic acid groups/moieties. The possibility to quickly design architectures with tunable carboxylic functions by modifying the plasma processing parameters is shown.

  11. Structural modification of 5,7-dimethoxyflavone from Kaempferia parviflora and biological activities.

    Science.gov (United States)

    Yenjai, Chavi; Wanich, Suchana; Pitchuanchom, Siripit; Sripanidkulchai, Bungon

    2009-09-01

    5,7-Dimethoxyflavone, a major compound from Kaempferia parviflora, was used as a starting material for structural modification. Seven flavonoid derivatives have been synthesized from this flavone. Two new oxime derivatives 4 and 6 exhibited cytotoxicity against HepG2 cell line with IC50 values of 36.38 and 25.34 microg/mL, respectively, and against T47D cell line with IC50 values of 41.66 and 22.94 microg/mL, respectively. Compound 7 showed cytotoxicity against HepG2 and T47D cell lines with IC50 values of 21.36 and 25.00 microg/mL, respectively. Compounds 6 and 7 showed cytotoxicity nearly equal to the tamoxifen standard. In addition, oxime 6 exhibited antifungal activity against Candida albicans with an IC50 value of 48.98 microg/mL.

  12. Enzymatic modification of bacterial exopolysaccharides; xanthan lyase as a tool for structural and functional modification of xanthan

    NARCIS (Netherlands)

    Ruijssenaars, H.J.

    2001-01-01

    Bacterial extracellular polysaccharides (EPSs) can be applied, e.g., in foods, as a thickener or stabilizer. The functional properties that make a polysaccharide suitable for such applications are largely determined by the primary structure, i.e., the sugar composition, the linkage types between the

  13. Ion-beam-induced modifications in the structural and electrical properties of copper oxide selenite nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Rana, Pallavi, E-mail: prana.phy@gmail.com; Chauhan, R.P.

    2015-04-15

    Highlights: •Nanowires were synthesized via template-assisted electrodeposition method. •Copper oxide selenite nanowires were irradiated with 160 MeV, Ni{sup +12} ion beam. •XRD confirmed no change in phase of irradiated nanowires. •Electrical resistivity of nanowires was found to decrease with the ion fluence. -- Abstract: Irradiation with swift heavy ions (SHIs) with energy in the MeV range is a unique tool for engineering the properties of materials. In this context, the objective of the present work is to study the conduction of charge carriers in pre- and post-ion-irradiated semiconducting nanowires. Copper oxide selenite nanowires were synthesized using a template-assisted electrodeposition technique from an aqueous solution of 0.8 M CuSO{sub 4}·5H{sub 2}O and 8 mM SeO{sub 2}. The synthesized nanowires were observed to have a monoclinic structure with linear I–V characteristics (IVC). The effect of irradiation with 160 MeV Ni{sup +12} ions on the properties of the copper oxide selenite nanowires was investigated for fluences varying from 10{sup 11} to 10{sup 13} ions/cm{sup 2}. XRD spectra confirmed no change in the phase of the swift-heavy-ion-irradiated nanowires, but a modification in the orientation of the planes was observed that depended on the ion fluence. The electrical resistivity of the semiconducting nanowires also varied with the ion fluence. Simultaneous irradiation-induced modifications to the electro-chemical potential gradient and the granular properties of the material may have been the origin of the alteration in the structural and electrical properties of the nanowires.

  14. Structural modifications of bacterial lipopolysaccharide that facilitate Gram-negative bacteria evasion of host innate immunity

    Directory of Open Access Journals (Sweden)

    Motohiro eMatsuura

    2013-05-01

    Full Text Available Bacterial lipopolysaccharide (LPS, a cell wall component characteristic of Gram-negative bacteria, is a representative pathogen-associated molecular pattern that allows mammalian cells to recognize bacterial invasion and trigger innate immune responses. The polysaccharide moiety of LPS primary plays protective roles for bacteria such as prevention from complement attacks or camouflage with common host carbohydrate residues. The lipid moiety, termed lipid A, is recognized by the Toll-like receptor 4 (TLR4/MD-2 complex, which transduces signals for activation of host innate immunity. The basic structure of lipid A is a glucosamine disaccharide substituted by phosphate groups and acyl groups. Lipid A with 6 acyl groups (hexa-acylated form has been indicated to be a strong stimulator of the TLR4/MD-2 complex. This type of lipid A is conserved among a wide variety of Gram-negative bacteria, and those bacteria are easily recognized by host cells for activation of defensive innate immune responses. Modifications of the lipid A structure to less-acylated forms have been observed in some bacterial species, and those forms are poor stimulators of the TLR4/MD-2 complex. Such modifications are thought to facilitate bacterial evasion of host innate immunity, thereby enhancing pathogenicity. This hypothesis is supported by studies of Yersinia pestis LPS, which contains hexa-acylated lipid A when the bacterium grows at 27ºC (the temperature of the vector flea, and shifts to contain less-acylated forms when grown at the human body temperature of 37ºC. This alteration of lipid A forms following transmission of Y. pestis from fleas to humans contributes predominantly to the virulence of this bacterium over other virulence factors. A similar role for less-acylated lipid A forms has been indicated in some other bacterial species, such as Francisella tularensis, Helicobacter pylori, and Porphyromonas gingivalis, and further studies to explore this concept are

  15. Static Analysis, Design Modification and Modal Analysis of Structural Chassis Frame

    Directory of Open Access Journals (Sweden)

    Madhu Ps

    2014-05-01

    Full Text Available The chassis frame is an important part in a truck and it carries the whole load acting on the truck as well as different parts of the automobile. So it must be strong enough to resist the shock, twist, vibration and other stresses. Maximum stress and maximum deflection are important criteria for design of the chassis. The objective of present is to determine the maximum stress, maximum deflection and to recognize critical regions under static loading condition. Static structural analysis of the chassis frame is carried out by FEA Method. The structural chassis frame is modeled using PRO-E wildfire 4.0 software. The Pre-processing has done with HYPERMESH software; then the problem has been solved through RADIOSS and the post processing was done by HYPERVIEW. The results obtained like maximum shear stress, Von-mises stress and maximum deflections are used for improving design modification. Modal analysis of the chassis frame done using ANSYS WORKBENCH. Through modal analysis, natural frequencies and corresponding vibration mode shapes of the structure are obtained.

  16. Investigation of structural modification and thermal characteristics of lignin after heat treatment.

    Science.gov (United States)

    Kim, Jae-Young; Hwang, Hyewon; Oh, Shinyoung; Kim, Yong-Sik; Kim, Ung-Jin; Choi, Joon Weon

    2014-05-01

    Milled wood lignin was subjected to heat treatment between 150 and 300°C to understand the pattern of its structural modification and thermal properties. When the temperature was elevated with interval of 50°C, the color of the lignin became dark brown and the lignin released various forms of phenols from terminal phenolic groups in the lignin, leading to two physical phenomena: (1) gradual weight loss of the lignin, up to 19% based on dry weight and (2) increase in the carbon content and decrease in the oxygen content. Nitrobenzene oxidation and (13)C NMR analyses confirmed a cleavage of β-O-4 linkage (depolymerization) and reduction of methoxyl as well as phenolic hydroxyl group were also characteristic in the lignin structure during heat treatment. Simultaneously with lignin depolymerization, GPC analysis provided a possibility that condensation between lignin fragments could also occur during heat treatment. TGA/DTG/DSC data revealed that thermal stability of lignin obviously increased after heat treatment, implicating the structural rearrangement of lignin to reduction of β-O-4 linkage as well as accumulation of CC bonds.

  17. Controlled modification of the structure of polymer surfaces by chemically grafting inorganic species

    Directory of Open Access Journals (Sweden)

    Rodrigo Lambert Oréfice

    1999-07-01

    Full Text Available Many chemical and physical methods, such as plasma, e-beam, sputtering, CVD and others, have been used to modify the structure of polymer surfaces by depositing thin inorganic films. Most of these techniques are based upon the use of high energy sources that ultimately can damage either chemically or physically polymer surfaces. Moreover, these methods are usually not versatile enough to allow the design of structurally and chemically tailored surfaces through the control of the distribution of chemical functionalities throughout the surface. In this work, inorganic species were introduced onto polymer substrates in a controlled manner by performing a sequence of chemical reactions at the surface. Sulfonation followed by silanization reactions were used to graft alkoxysilane species at the surface of poly(aryl sulfones. The heterogeneous chemical modification of poly(aryl sulfones was monitored by FTIR-ATR (Attenuated Total Reflection - FTIR. Model compounds were used to study the chemical reactions occurring during the grafting procedure. The results showed that the developed procedure can allow a controlled introduction of inorganic species onto polymer surfaces. Furthermore, in order to prove that this procedure enables the deposition of specific chemical functionalities onto polymer surfaces that can be used to create chemically and structurally tailored surfaces, silicate films were deposited on previously silanated PAS bioactive glass composites. In vitro tests showed that the surface modified composite can enhance the rates of hydroxy-carbonate-apatite precipitation.

  18. A Limited Structural Modification Results in a Significantly More Efficacious Diazachrysene-Based Filovirus Inhibitor

    Directory of Open Access Journals (Sweden)

    Rekha G. Panchal

    2012-08-01

    Full Text Available Ebola (EBOV and Marburg (MARV filoviruses are highly infectious pathogens causing deadly hemorrhagic fever in humans and non-human primates. Promising vaccine candidates providing immunity against filoviruses have been reported. However, the sporadic nature and swift progression of filovirus disease underlines the need for the development of small molecule therapeutics providing immediate antiviral effects. Herein we describe a brief structural exploration of two previously reported diazachrysene (DAAC-based EBOV inhibitors. Specifically, three analogs were prepared to examine how slight substituent modifications would affect inhibitory efficacy and inhibitor-mediated toxicity during not only EBOV, but also MARV cellular infection. Of the three analogs, one was highly efficacious, providing IC50 values of 0.696 µM ± 0.13 µM and 2.76 µM ± 0.21 µM against EBOV and MARV infection, respectively, with little or no associated cellular toxicity. Overall, the structure-activity and structure-toxicity results from this study provide a framework for the future development of DAAC-based filovirus inhibitors that will be both active and non-toxic in vivo.

  19. Structural and mechanical modifications induced on Zr-based bulk metallic glass by laser shock peening

    Science.gov (United States)

    Zhu, Yunhu; Fu, Jie; Zheng, Chao; Ji, Zhong

    2016-12-01

    In this study, surface modification of a Zr41.2Ti13.8Cu12.5Ni10Be22.5 (vit1) bulk metallic glass (BMG) has been studied in an effort to improve the mechanical properties by laser shock peening (LSP) treatment. The phase structure, mechanical properties, and microstructural evolution of the as-cast and LSP treated specimens were systematically investigated. It was found that the vit1 BMG still consisted of fully amorphous structure after LSP treatment. Measurements of the heat relaxation indicate that a large amount of free volume is introduced into vit1 BMG during LSP process. LSP treatment causes a decrease of hardness attributable to generation of free volume. The plastic deformation ability of vit1 BMG was investigated under three-point bending conditions. The results demonstrate that the plastic strain of LSP treated specimen is 1.83 times as large as that of the as-cast specimen. The effect of LSP technology on the hardness and plastic deformation ability of vit1 BMG is discussed on the basis of free volume theory. The high dense shear bands on the side surface, the increase of striations and critical shear displacement on the tensile fracture region, and more uniform dimples structure on the compressive fracture region also demonstrate that the plasticity of vit1 BMG can be enhanced by LSP.

  20. Growth of surface structures correlated with structural and mechanical modifications of brass by laser-induced Si plasma ions implantation

    Science.gov (United States)

    Ahmad, Shahbaz; Bashir, Shazia; Rafique, M. Shahid; Yousaf, Daniel

    2017-04-01

    Laser-produced Si plasma is employed as an ion source for implantation on the brass substrate for its surface, structural, and mechanical modifications. Thomson parabola technique is employed for the measurement of energy and flux of Si ions using CR-39. In response to stepwise increase in number of laser pulses from 3000 to 12000, four brass substrates were implanted by laser-induced Si plasma ions of energy 290 keV at different fluxes ranging from 45 × 1012 to 75 × 1015 ions/cm2. SEM analysis reveals the formation of nano/micro-sized irregular shaped cavities and pores for the various ion fluxes for varying numbers of laser pulses from 3000 to 9000. At the maximum ion flux for 12,000 pulses, distinct and organized grains with hexagonal and irregular shaped morphology are revealed. X-ray diffractometer (XRD) analysis exhibits that a new phase of CuSi (311) is identified which confirms the implantation of Si ions in brass substrate. A significant decrease in mechanical properties of implanted brass, such as Yield Stress (YS), Ultimate Tensile Strength (UTS), and hardness, with increasing laser pulses from 3000 to 6000 is observed. However, with increasing laser pulses from 9000 to a maximum value of 12,000, an increase in mechanical properties like hardness, YS, and UTS is observed. The generation as well as annihilation of defects, recrystallization, and intermixing of Si precipitates with brass matrix is considered to be responsible for variations in surface, structural, and mechanical modifications of brass.

  1. Light-responsive polymer surfaces via postpolymerization modification of grafted polymer-brush structures.

    Science.gov (United States)

    Dübner, Matthias; Spencer, Nicholas D; Padeste, Celestino

    2014-12-16

    Light-induced, spatially well-defined, reversible switching of surface properties enables the creation of remote-controlled smart surfaces. We have taken advantage of the unique high-resolution structuring capabilities of extreme ultraviolet (EUV) interference lithography to produce nanostructured photoresponsive polymer brushes. Patterns of poly(glycidyl methacrylate) (PGMA) and poly(methacrylic acid) (PMAA) were grafted from two different 100 μm thick fluoropolymer substrates by means of a radiation-initiated, grafting-from approach based on free-radical polymerization (FRP). Photochromic properties were introduced via novel one- or two-step postpolymerization modifications with spiropyran (SP) derivatives, which allowed us to control the number of photochromic groups on the polymer brushes. Depending on the degree of functionalization and the local chemical environment, the SP moieties can open upon UV-light exposure to form zwitterionic, deeply colored, and fluorescent merocyanines (MCs) and reclose to the colorless SP configuration via thermal or visible light-induced relaxation. Switching kinetics were studied by means of time-resolved fluorescence microscopy and compared with kinetic measurements of the SP moiety in solution. The results indicated the importance, for the intensity of the switching, of the local chemical environment provided by both the polymer brush and added solvents, and showed the predominant influence on the ring-closing kinetics of polar solvents, which stabilize the MC form. To allow further characterization of the polymer-brush arrangements on a macroscopic scale, similar, but unstructured brush systems were grafted from fluoropolymers after large-area activation using EUV radiation or argon plasma. All steps of the postpolymerization modification were characterized in detail using attenuated total reflection infrared (ATR-IR) spectroscopy. Furthermore, a light-induced reversible static-contact-angle switch with a range of up to 15

  2. Structure-guided modification of Rhizomucor miehei lipase for production of structured lipids.

    Science.gov (United States)

    Zhang, Jun-Hui; Jiang, Yu-Yan; Lin, Ying; Sun, Yu-Fei; Zheng, Sui-Ping; Han, Shuang-Yan

    2013-01-01

    To improve the performance of yeast surface-displayed Rhizomucor miehei lipase (RML) in the production of human milk fat substitute (HMFS), we mutated amino acids in the lipase substrate-binding pocket based on protein hydrophobicity, to improve esterification activity. Five mutants: Asn87Ile, Asn87Ile/Asp91Val, His108Leu/Lys109Ile, Asp256Ile/His257Leu, and His108Leu/Lys109Ile/Asp256Ile/His257Leu were obtained and their hydrolytic and esterification activities were assayed. Using Discovery Studio 3.1 to build models and calculate the binding energy between lipase and substrates, compared to wild-type, the mutant Asp256Ile/His257Leu was found to have significantly lower energy when oleic acid (3.97 KJ/mol decrease) and tripalmitin (7.55 KJ/mol decrease) were substrates. This result was in accordance with the esterification activity of Asp256Ile/His257Leu (2.37-fold of wild-type). The four mutants were also evaluated for the production of HMFS in organic solvent and in a solvent-free system. Asp256Ile/His257Leu had an oleic acid incorporation of 28.27% for catalyzing tripalmitin and oleic acid, and 53.18% for the reaction of palm oil with oleic acid. The efficiency of Asp256Ile/His257Leu was 1.82-fold and 1.65-fold that of the wild-type enzyme for the two reactions. The oleic acid incorporation of Asp256Ile/His257Leu was similar to commercial Lipozyme RM IM for palm oil acidolysis with oleic acid. Yeast surface-displayed RML mutant Asp256Ile/His257Leu is a potential, economically feasible catalyst for the production of structured lipids.

  3. Structure-guided modification of Rhizomucor miehei lipase for production of structured lipids.

    Directory of Open Access Journals (Sweden)

    Jun-Hui Zhang

    Full Text Available To improve the performance of yeast surface-displayed Rhizomucor miehei lipase (RML in the production of human milk fat substitute (HMFS, we mutated amino acids in the lipase substrate-binding pocket based on protein hydrophobicity, to improve esterification activity. Five mutants: Asn87Ile, Asn87Ile/Asp91Val, His108Leu/Lys109Ile, Asp256Ile/His257Leu, and His108Leu/Lys109Ile/Asp256Ile/His257Leu were obtained and their hydrolytic and esterification activities were assayed. Using Discovery Studio 3.1 to build models and calculate the binding energy between lipase and substrates, compared to wild-type, the mutant Asp256Ile/His257Leu was found to have significantly lower energy when oleic acid (3.97 KJ/mol decrease and tripalmitin (7.55 KJ/mol decrease were substrates. This result was in accordance with the esterification activity of Asp256Ile/His257Leu (2.37-fold of wild-type. The four mutants were also evaluated for the production of HMFS in organic solvent and in a solvent-free system. Asp256Ile/His257Leu had an oleic acid incorporation of 28.27% for catalyzing tripalmitin and oleic acid, and 53.18% for the reaction of palm oil with oleic acid. The efficiency of Asp256Ile/His257Leu was 1.82-fold and 1.65-fold that of the wild-type enzyme for the two reactions. The oleic acid incorporation of Asp256Ile/His257Leu was similar to commercial Lipozyme RM IM for palm oil acidolysis with oleic acid. Yeast surface-displayed RML mutant Asp256Ile/His257Leu is a potential, economically feasible catalyst for the production of structured lipids.

  4. Heavy Ion Induced SEU Sensitivity Evaluation of 3D Integrated SRAMs

    CERN Document Server

    Cao, Xuebing; Huo, Mingxue; Wang, Tianqi; Li, Anlong; Qi, Chunhua; Wang, Jinxiang

    2016-01-01

    Heavy ions induced single event upset (SEU) sensitivity of three-dimensional integrated SRAMs are evaluated by using Monte Carlo sumulation methods based on Geant4. The cross sections of SEUs and Multi Cell Upsets (MCUs) for 3D SRAM are simulated by using heavy ions with different energies and LETs. The results show that the sensitivity of different die of 3D SRAM has obvious discrepancies at low LET. Average percentage of MCUs of 3D SRAMs rises from 17.2% to 32.95% when LET increases from 42.19 MeV cm2/mg to 58.57MeV cm2/mg. As for a certain LET, the percentage of MCUs shows a notable distinction between face-to-face structure and back-to-face structure. For back-to-face structure, the percentage of MCUs increases with the deeper die. However, the face-to-face die presents the relatively low percentage of MCUs. The comparison of SEU cross sections for planar SRAMs and experiment data are conducted to indicate the effectiveness of our simulation method. Finally, we compare the upset cross sections of planar p...

  5. Structure and post-translational modifications of the web silk protein spidroin-1 from Nephila spiders.

    Science.gov (United States)

    dos Santos-Pinto, José Roberto Aparecido; Lamprecht, Günther; Chen, Wei-Qiang; Heo, Seok; Hardy, John George; Priewalder, Helga; Scheibel, Thomas Rainer; Palma, Mario Sergio; Lubec, Gert

    2014-06-13

    Spidroin-1 is one of the major ampullate silk proteins produced by spiders for use in the construction of the frame and radii of orb webs, and as a dragline to escape from predators. Only partial sequences of spidroin-1 produced by Nephila clavipes have been reported up to now, and there is no information on post-translational modifications (PTMs). A gel-based mass spectrometry strategy with ETD and CID fragmentation methods were used to sequence and determine the presence/location of any PTMs on the spidroin-1. Sequence coverage of 98.06%, 95.05%, and 98.37% were obtained for N. clavipes, Nephila edulis and for Nephila madagascariensis, respectively. Phosphorylation was the major PTM observed with 8 phosphorylation sites considered reliable on spidroin-1 produced by N. clavipes, 4 in N. madagascariensis and 2 for N. edulis. Dityrosine and 3,4-dihydroxyphenylalanine (formed by oxidation of the spidroin-1) were observed, although the mechanism by which they are formed (i.e. exposure to UV radiation or to peroxidases in the major ampullate silk gland) is uncertain. Herein we present structural information on the spidroin-1 produced by three different Nephila species; these findings may be valuable for understanding the physicochemical properties of the silk proteins and moreover, future designs of recombinantly produced spider silk proteins. Biotechnological significance The present investigation shows for the first time spidroin structure and post-translational modifications observed on the major ampullate silk spidroin-1. The many site specific phosphorylations (localized within the structural motifs) along with the probably photoinduction of hydroxylations may be relevant for scientists in material science, biology, biochemistry and environmental scientists. Up to now all the mechanical properties of the spidroin have been characterized without any consideration about the existence of PTMs in the sequence of spidroins. Thus, these findings for major ampullate silk

  6. Surface modification induced phase transformation and structure variation on the rapidly solidified recast layer of titanium

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, Ming-Hung [Department of Mechanical Engineering and Graduate Institute of Mechanical and Precision Engineering, National Kaoshiung University of Applied Sciences, Kaoshiung 807, Taiwan (China); School of Dentistry, College of Oral Medicine, Taipei Medical University, Taipei 110, Taiwan (China); Haung, Chiung-Fang [School of Dental Technology, College of Oral Medicine, Taipei Medical University, Taipei 110, Taiwan (China); Division of Family and Operative Dentistry, Department of Dentistry, Taipei Medical University Hospital, Taipei 110, Taiwan (China); Research Center for Biomedical Devices and Prototyping Production, Taipei Medical University, Taipei 110, Taiwan (China); Shyu, Shih-Shiun [Department of Dentistry, Taipei Tzu Chi Hospital, Buddhist Tzu Chi Medical Foundation, New Taipei City 231, Taiwan (China); Chou, Yen-Ru [Research Center for Biomedical Devices and Prototyping Production, Taipei Medical University, Taipei 110, Taiwan (China); Graduate Institute of Biomedical Materials and Tissue Engineering, College of Oral Medicine, Taipei Medical University, Taipei 110, Taiwan (China); Research Center for Biomedical Implants and Microsurgery Devices, Taipei Medical University, Taipei 110, Taiwan (China); Lin, Ming-Hong [Department of Mechanical Engineering and Graduate Institute of Mechanical and Precision Engineering, National Kaoshiung University of Applied Sciences, Kaoshiung 807, Taiwan (China); Peng, Pei-Wen, E-mail: apon@tmu.edu.tw [School of Dental Technology, College of Oral Medicine, Taipei Medical University, Taipei 110, Taiwan (China); and others

    2015-08-15

    In this study, neodymium-doped yttrium orthovanadate (Nd:YVO{sub 4}) as a laser source with different scanning speeds was used on biomedical Ti surface. The microstructural and biological properties of laser-modified samples were investigated by means of optical microscope, electron microscope, X-ray diffraction, surface roughness instrument, contact angle and cell cytotoxicity assay. After laser modification, the rough volcano-like recast layer with micro-/nanoporous structure and wave-like recast layer with nanoporous structure were generated on the surfaces of laser-modified samples, respectively. It was also found out that, an α → (α + rutile-TiO{sub 2}) phase transition occurred on the recast layers of laser-modified samples. The Ti surface becomes hydrophilic at a high speed laser scanning. Moreover, the cell cytotoxicity assay demonstrated that laser-modified samples did not influence the cell adhesion and proliferation behaviors of osteoblast (MG-63) cell. The laser with 50 mm/s scanning speed induced formation of rough volcano-like recast layer accompanied with micro-/nanoporous structure, which can promote cell adhesion and proliferation of MG-63 cell on Ti surface. The results indicated that the laser treatment was a potential technology to enhance the biocompatibility for titanium. - Highlights: • Laser induced the formation of recast layer with micro-/nanoporous structure on Ti. • An α → (α + rutile-TiO{sub 2}) phase transition was observed within the recast layer. • The Ti surface becomes hydrophilic at a high speed laser scanning. • Laser-modified samples exhibit good biocompatibility to osteoblast (MG-63) cell.

  7. Structure Modification of an Active Azo-Compound as a Route to New Antimicrobial Compounds

    Directory of Open Access Journals (Sweden)

    Simona Concilio

    2017-05-01

    Full Text Available Some novel (phenyl-diazenylphenols 3a–g were designed and synthesized to be evaluated for their antimicrobial activity. A previously synthesized molecule, active against bacteria and fungi, was used as lead for modifications and optimization of the structure, by introduction/removal or displacement of hydroxyl groups on the azobenzene rings. The aim of this work was to evaluate the consequent changes of the antimicrobial activity and to validate the hypothesis that, for these compounds, a plausible mechanism could involve an interaction with protein receptors, rather than an interaction with membrane. All newly synthesized compounds were analyzed by 1H-NMR, DSC thermal analysis and UV-Vis spectroscopy. The in vitro minimal inhibitory concentrations (MIC of each compound was determined against Gram-positive and Gram-negative bacteria and Candida albicans. Compounds 3b and 3g showed the highest activity against S. aureus and C. albicans, with remarkable MIC values of 10 µg/mL and 3 µg/mL, respectively. Structure-activity relationship studies were capable to rationalize the effect of different substitutions on the phenyl ring of the azobenzene on antimicrobial activity.

  8. Computer simulation of structural modifications induced by highly energetic ions in uranium dioxide

    Science.gov (United States)

    Sasajima, Y.; Osada, T.; Ishikawa, N.; Iwase, A.

    2013-11-01

    The structural modification caused by the high-energy-ion irradiation of single-crystalline uranium dioxide was simulated by the molecular dynamics method. As the initial condition, high kinetic energy was supplied to the individual atoms within a cylindrical region of nanometer-order radius located in the center of the specimen. The potential proposed by Basak et al. [C.B. Basak, A.K. Sengupta, H.S. Kamath, J. Alloys Compd. 360 (2003) 210-216] was utilized to calculate interaction between atoms. The supplied kinetic energy was first spent to change the crystal structure into an amorphous one within a short period of about 0.3 ps, then it dissipated in the specimen. The amorphous track radius Ra was determined as a function of the effective stopping power gSe, i.e., the kinetic energy of atoms per unit length created by ion irradiation (Se: electronic stopping power, g: energy transfer ratio from stopping power to lattice vibration energy). It was found that the relationship between Ra and gSe follows the relation Ra2=aln(gS)+b. Compared to the case of Si and β-cristobalite single crystals, it was harder to produce amorphous track because of the long range interaction between U atoms.

  9. Computer simulation of structural modifications induced by highly energetic ions in uranium dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Sasajima, Y., E-mail: sasajima@mx.ibaraki.ac.jp [Department of Materials Science and Engineering, Faculty of Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi 316-8511 (Japan); Frontier Research Center for Applied Atomic Sciences, Ibaraki University, Shirakata 162-4, Tokai 319-1106 (Japan); Osada, T. [Graduate School of Science and Engineering, Ibaraki University, 4-12-1 Nakanarusawa, Hitachi 316-8511 (Japan); Ishikawa, N. [Japan Atomic Energy Agency (JAEA), Shirakata Shirane 2-4, Tokai 319-1195 (Japan); Iwase, A. [Department of Materials Science, Osaka Prefecture University, Gakuen-cho 1-1, Sakai 599-8531 (Japan)

    2013-11-01

    The structural modification caused by the high-energy-ion irradiation of single-crystalline uranium dioxide was simulated by the molecular dynamics method. As the initial condition, high kinetic energy was supplied to the individual atoms within a cylindrical region of nanometer-order radius located in the center of the specimen. The potential proposed by Basak et al. [C.B. Basak, A.K. Sengupta, H.S. Kamath, J. Alloys Compd. 360 (2003) 210–216] was utilized to calculate interaction between atoms. The supplied kinetic energy was first spent to change the crystal structure into an amorphous one within a short period of about 0.3 ps, then it dissipated in the specimen. The amorphous track radius R{sub a} was determined as a function of the effective stopping power gS{sub e}, i.e., the kinetic energy of atoms per unit length created by ion irradiation (S{sub e}: electronic stopping power, g: energy transfer ratio from stopping power to lattice vibration energy). It was found that the relationship between R{sub a} and gS{sub e} follows the relation R{sub a}{sup 2}=aln(gS{sub e})+b. Compared to the case of Si and β-cristobalite single crystals, it was harder to produce amorphous track because of the long range interaction between U atoms.

  10. Modification of smectite structure by sulfuric acid and characteristics of the modified smectite

    Directory of Open Access Journals (Sweden)

    Tomić Zorica P.

    2011-01-01

    Full Text Available Bentonite samples from Petrovac and Aleksinac were treated with sulfuric acid of different molarities. Differences in structure and texture of the initial and modified bentonite were determined by chemical analysis and Xraypowder diffraction (XRPD, infra-red spectroscopy (FTIR, scanning electron microscopy (SEM and physisorption nitrogen at −196°C. Sulfuric acid caused an exchange of Al3+, Fe3+ and Mg2+ with H+ ions which led to a modification of the smectite crystalline structure. The Mg and Fe substitution in the octahedral sheet promoted the dispersion of those layers and forming of amorphous silicon. The sequence according to which the cations left the octahedral sheets was as follows: Mg2+>Fe3+>Al3+. The sulfuric acid activated bentonites exhibiting a lower cation exchange capacity (CEC and а change of specific surface area (SBET from 6 to 387 for bentonite from Petrovac and from 44 to 1784 m2 g-1 for bentonite from Aleksinac, positioning them as an excellent absorber in wine technology and in the protection of soil and environment.

  11. Collagen modifications in postmenopausal osteoporosis: advanced glycation endproducts may affect bone volume, structure and quality.

    Science.gov (United States)

    Willett, Thomas L; Pasquale, Julia; Grynpas, Marc D

    2014-09-01

    The classic model of postmenopausal osteoporosis (PM-OP) starts with the depletion of estrogen, which in turn stimulates imbalanced bone remodeling, resulting in loss of bone mass/volume. Clinically, this leads to fractures because of structural weakness. Recent work has begun to provide a more complete picture of the mechanisms of PM-OP involving oxidative stress and collagen modifications known as advanced glycation endproducts (AGEs). On one hand, AGEs may drive imbalanced bone remodeling through signaling mediated by the receptor for AGEs (RAGE), stimulating resorption and inhibiting formation. On the other hand, AGEs are associated with degraded bone material quality. Oxidative stress promotes the formation of AGEs, inhibits normal enzymatically derived crosslinking and can degrade collagen structure, thereby reducing fracture resistance. Notably, there are multiple positive feedback loops that can exacerbate the mechanisms of PM-OP associated with oxidative stress and AGEs. Anti-oxidant therapies may have the potential to inhibit the oxidative stress based mechanisms of this disease.

  12. Chemical and structural modifications of laser treated WTi surfaces at different ambient conditions

    Science.gov (United States)

    Petrović, S.; Peruško, D.; Milovanović, D.; Siketić, Z.; Jakšić, M.; Kovač, J.; Gaković, B.; Milosavljević, M.; Trtica, M.

    2011-11-01

    In this work we have studied the influence of laser modification on the composition and structure of tungsten titanium (WTi) thin films, deposited on n-type (100) silicon wafers. After deposition, the samples were multi-pulse laser irradiated in a nitrogen, oxygen, and helium ambient. The composition of the WTi/Si sample was determined by Elastic Recoil Detection Analysis (ERDA). Surface morphology was monitored by Atomic Force Microscopy (AFM). In the experiment, typical laser output parameters were: wavelength 1064 nm, pulse duration 150 ps, and laser pulse energy 30 mJ. Surface concentrations of W and Ti, as well as the concentration of gas components nitrogen and oxygen were determinated before and after the action of laser radiation in different ambient conditions. The contents of W and Ti decreased after irradiation due to adsorbed gases from the surrounding atmosphere. After surface irradiation in the inert ambient (He), the concentrations of the components were not significantly changed. In other cases, oxygen was the dominant component at the surface, probably due to the high affinity of thin film components. Also, the morphological changes occurred at the surface of WTi, as an increase in the surface roughness and formation of the granular structures are a result of laser-induced surface oxidation and recrystallization.

  13. CEMS studies of structural modifications of metallic glasses by ion bombardment

    Science.gov (United States)

    Miglierini, M.; Lančok, A.; Pavlovič, M.

    2010-05-01

    Fe76Mo8Cu1B15 and Fe74Nb3Cu1Si16B6 amorphous metallic alloys were exposed to ion bombardment with nitrogen ions and protons to ensure different degree of radiation damage. The radiation damage profiles were calculated in the “full cascade” mode. Conversion electron Mössbauer spectrometry was employed to scan structural modifications in the surface regions of the irradiated alloys. In Fe76Mo8Cu1B15, the irradiation with 130 keV N+ has caused a significant increase of the hyperfine magnetic fields and isomer shift due to changes in topological and chemical short-range order (SRO), respectively. No appreciable effects were revealed after bombardment with 80 keV H+ ions. Fe74Nb3Cu1Si16B6 amorphous metallic alloy was irradiated by 110 keV N+ and 37 keV H+ and only changes in chemical SRO were revealed after bombardment with nitrogen ions. The observed alternations of the structure depend primarily on the total number of displacements of the resonant atoms which are closely related to the fluence as well as type and energy of the incident ions.

  14. Amyloid–β peptides time-dependent structural modifications: AFM and voltammetric characterization

    Energy Technology Data Exchange (ETDEWEB)

    Enache, Teodor Adrian; Chiorcea-Paquim, Ana-Maria; Oliveira-Brett, Ana Maria, E-mail: brett@ci.uc.pt

    2016-07-05

    The human amyloid beta (Aβ) peptides, Aβ{sub 1-40} and Aβ{sub 1-42}, structural modifications, from soluble monomers to fully formed fibrils through intermediate structures, were investigated, and the results were compared with those obtained for the inverse Aβ{sub 40-1} and Aβ{sub 42-1}, mutant Aβ{sub 1-40}Phe{sup 10} and Aβ{sub 1-40}Nle{sup 35}, and rat Aβ{sub 1-40}Rat peptide sequences. The aggregation was followed at a slow rate, in chloride free media and room temperature, and revealed to be a sequence-structure process, dependent on the physicochemical properties of each Aβ peptide isoforms, and occurring at different rates and by different pathways. The fibrilization process was investigated by atomic force microscopy (AFM), via changes in the adsorption morphology from: (i) initially random coiled structures of ∼0.6 nm height, corresponding to the Aβ peptide monomers in random coil or in α-helix conformations, to (ii) aggregates and protofibrils of 1.5–6.0 nm height and (iii) two types of fibrils, corresponding to the Aβ peptide in a β-sheet configuration. The reactivity of the carbon electrode surface was considered. The hydrophobic surface induced rapid changes of the Aβ peptide conformations, and differences between the adsorbed fibrils, formed at the carbon surface (beaded, thin, <2.0 nm height) or in solution (long, smooth, thick, >2.0 nm height), were detected. Differential pulse voltammetry showed that, according to their primary structure, the Aβ peptides undergo oxidation in one or two steps, the first step corresponding to the tyrosine amino acids oxidation, and the second one to the histidine and methionine amino acids oxidation. The fibrilization process was electrochemically detected via the decrease of the Aβ peptide oxidation peak currents that occurred in a time dependent manner. - Highlights: • The Aβ peptide fibrilization process was followed by AFM and DP voltammetry. • The human Aβ{sub 1-40} and Aβ{sub 1

  15. Modifications in structural and electrical properties of gamma irradiated CdSe nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Kumari, Manju, E-mail: manjuyadav.jnv@gmail.com; Rana, Pallavi, E-mail: prana.phy@gmail.com; Chauhan, R.P., E-mail: chauhanrpc@gmail.com

    2014-07-01

    Semiconducting nanowires have gained huge interest of researchers due to their interesting properties and potential application in the field of nanoelectronics and optoelectronics. Present study reports the effect of gamma (γ) irradiation on structural and electrical properties of CdSe nanowires. These nanowires were synthesized by a template assisted electrodeposition method which provides uniform and standing nanowires of cylindrical shape. These synthesized nanowires were exposed to gamma rays using a {sup 60}Co source. Before and after irradiation, the nanowires were characterized by X-ray diffraction (XRD), Scanning electron microscope (SEM), Energy dispersive X-ray (EDX) and Keithley 2400 series source meter to study their structural and electrical properties. XRD patterns of irradiated samples showed increase in grain size with radiation dose and increase in the peak intensity was observed corresponding to different planes of hexagonal CdSe structure. SEM images confirmed the cylindrical morphology of nanowires and EDX analysis revealed the stoichiometric formation of CdSe. The electrical properties from I–V characteristics showed an enhancement in the electrical conductivity of the nanowires with radiation dose and applied potential. This modification in electrical conductivity may be attributed to decrease in grain boundary scattering of charge carriers. - Highlights: • CdSe nanowires were synthesized via the template-assisted electrodeposition method. • Synthesized nanowires were irradiated with gamma rays using {sup 60}Co source. • In XRD spectra, no shifting was observed in 2θ position of peaks with irradiation. • An enhancement in the electrical conductivity observed with radiation and potential.

  16. Structural modification of lignin and characterization of pretreated wheat straw by ozonation.

    Science.gov (United States)

    Bule, Mahesh V; Gao, Allan H; Hiscox, Bill; Chen, Shulin

    2013-04-24

    Ozonolysis is potentially an effective method for pretreating lignocellulosic biomass to improve the production of fermentable sugars via enzymatic hydrolysis. Further understanding of the ozonolysis process and identifying specific lignin structural changes are crucial for improving the pretreatment process. Investigation into pretreatment of wheat straw using ozonolysisis is reported in this paper, with special emphasis on selective modification/degradation of lignin subunits. The ozonolysis was performed for 2 h with less than 60 mesh particles in order to achieve maximum lignin oxidation. The results showed that the lignin structure was significantly modified under these conditions, leading to higher sugar recovery of more than 50% which increased from 13.11% to 63.17% corresponding to the control and ozone treated samples, respectively. Moisture content was found to be an important parameter for improving sugar recovery. Ninety percent (w/w) moisture produced the highest sugar recovery. The concentration of acid soluble lignin in the ozone treated sample increased from 4% to 11% after 2 h treatment. NMR analysis revealed that the S2/6 and G2 lignin units in the wheat straw were most prone to oxidation by ozone as the concentration of aromatic units decreased while the carboxylic acids became more abundant. The experimental data suggest the degradation of β-O-4 moieties and aromatic ring opening in lignin subunits. The pyrolysis-gas chromatography/mass spectrometry results revealed that the rate of lignin unit degradation was in the following order: syringyl > guaiacyl > p-hydroxyphenyl. Long ozone exposure resulted in few condensed lignin structure formation. In addition, the formation of condensed units during this process increased the activation energy from ASTM-E, 259.74 kJ/mol; Friedman-E, 270.08 kJ/mol to ASTM-E, 509.29 kJ/mol; Friedman-E, 462.17 kJ/mol. The results provide new information in overcoming lignin barrier for lignocellulose utilization.

  17. Ion-induced effects on metallic nanoparticles; Ioneninduzierte Effekte an metallischen Nanoteilchen

    Energy Technology Data Exchange (ETDEWEB)

    Klimmer, Andreas

    2010-02-25

    This work deals with the ion-irradiation of metallic nanoparticles in combination with various substrates. Particle diameters were systematically varied within the range of 2.5-14 nm, inter-particle distances range from 30-120 nm. Irradiations were performed with various inert gas ions with energies of 200 keV, resulting in an average ion range larger than the particle dimensions and therefore the effects of irradiation are mainly due to creation of structural defects within the particles and the underlying substrate as well. The main part of this work deals with ion-induced burrowing of metallic nanoparticles into the underlying substrate. The use of micellar nanoparticles with sharp size distribution combined with AFM and TEM analysis allows a much more detailed look at this effect than other works on that topic so far. With respect to the particle properties also a detailed look on the effect of irradiation on the particle structure would be interesting, which might lead to a deliberate influence on magnetic properties, for example. Within the context of this work, first successful experiments were performed on FePt particles, showing a significant reduction of the ordering temperature leading to the magnetically interesting, ordered L1{sub 0} phase. (orig.)

  18. Structural Analysis of a Stereochemical Modification of Flavin Adenine Dinucleotide in Alcohol Oxidase from Methylotrophic Yeasts

    NARCIS (Netherlands)

    Kellogg, Richard M.; Kruizinga, Wim; Bystrykh, Leonid V.; Dijkhuizen, Lubbert; Harder, Wim

    1992-01-01

    Alcohol oxidase (MOX), a major peroxisomal protein of methanol-utilizing yeasts, contains two different forms of flavin adenine dinucleotide, one of which is identical with natural FAD whereas the other (mFAD) is a stereochemical modification of the natural coenzyme. This modification occurs spontan

  19. Structural Analysis of a Stereochemical Modification of Flavin Adenine Dinucleotide in Alcohol Oxidase from Methylotrophic Yeasts

    NARCIS (Netherlands)

    Kellogg, Richard M.; Kruizinga, Wim; Bystrykh, Leonid V.; Dijkhuizen, Lubbert; Harder, Wim

    1992-01-01

    Alcohol oxidase (MOX), a major peroxisomal protein of methanol-utilizing yeasts, contains two different forms of flavin adenine dinucleotide, one of which is identical with natural FAD whereas the other (mFAD) is a stereochemical modification of the natural coenzyme. This modification occurs spontan

  20. Role of post-translational modifications on structure, function and pharmacology of class C G protein-coupled receptors

    DEFF Research Database (Denmark)

    Nørskov-Lauritsen, Lenea; Bräuner-Osborne, Hans

    2015-01-01

    taste receptors (T1R1-3), one calcium-sensing (CaS) receptor, one GPCR, class C, group 6, subtype A (GPRC6) receptor, and seven orphan receptors. G protein-coupled receptors undergo a number of post-translational modifications, which regulate their structure, function and/or pharmacology. Here, we...

  1. Genetic modification and its impact on industry structure and performance: post-harvest deterioration of cassava in Thailand

    NARCIS (Netherlands)

    Vlaar, P.W.L.; Beek, van P.; Visser, R.G.F.

    2007-01-01

    Genetic modification has led to fierce debates around the world. Nevertheless, scientific evidence for its potential effects on the structure and performance of industries has hitherto remained rather meagre. In this article, we take some preliminary steps towards closing this gap by exploring the e

  2. Structural features of the pore formed by Staphylococcus aureus alpha-toxin inferred from chemical modification and primary structure analysis.

    Science.gov (United States)

    Menestrina, G; Belmonte, G; Parisi, V; Morante, S

    1992-09-01

    Staphylococcus aureus alpha-toxin makes cells and model membranes permeable to ions and uncharged molecules by opening oligomeric pores of uniform size. Its primary sequence reveals peculiar features which give some hints on the structure of the pore. A flexible region separating the toxin into two halves, several amphiphilic beta-strands and two amphiphilic alpha-helices long enough to span the hydrophobic core of the lipid bilayer are predicted. In analogy to bacterial porins, we propose that the inner walls of the pore are, at least in part, built by an amphiphilic beta-barrel. The model is consistent with circular dichroism data and with the electrophysiological properties of the pore. Functional information on this toxin were obtained by chemical modification of its four histidine residues. Specific carbethoxylation suggested they have different roles: one is required for specific receptor binding, one for oligomerisation and two for unspecific lipid binding. A tentative assignment of each histidine to its specific role is done on the basis of the structural predictions. A functionally related hemolysin, Aeromonas hydrophyla aerolysin, reveals remarkably similar features including the presence and location of histidines involved in receptor binding and oligomerisation.

  3. Readers of histone modifications

    Institute of Scientific and Technical Information of China (English)

    Miyong Yun; Jun Wu; Jerry L Workman; Bing Li

    2011-01-01

    Histone modifications not only play important roles in regulating chromatin structure and nuclear processes but also can be passed to daughter cells as epigenetic marks.Accumulating evidence suggests that the key function of histone modifications is to signal for recruitment or activity of downstream effectors. Here, we discuss the latest discovery of histone-modification readers and how the modification language is interpreted.

  4. Structure-based chemical modification strategy for enzyme replacement treatment of phenylketonuria.

    Science.gov (United States)

    Wang, Lin; Gamez, Alejandra; Sarkissian, Christineh N; Straub, Mary; Patch, Marianne G; Han, Gye Won; Striepeke, Steve; Fitzpatrick, Paul; Scriver, Charles R; Stevens, Raymond C

    2005-01-01

    Structure-based protein engineering coupled with chemical modifications (e.g., pegylation) is a powerful combination to significantly improve the development of proteins as therapeutic agents. As a test case, phenylalanine ammonia-lyase (PAL, EC 4.3.1.5) was selected for enzyme replacement therapy in phenylketonuria [C.R. Scriver, S. Kaufman, Hyperphenylalaninemia:phenylalanine Hydroxylase Deficiency. The Metabolic and Molecular Bases of Inherited Disease, McGraw-Hill, New York, 2001, Chapter 77], an inherited metabolic disorder (OMIM 261600) causing mental retardation due to deficiency of the enzyme l-phenylalanine hydroxylase (EC 1.14.16.1). Previous in vivo studies of recombinant PAL demonstrated a lowering of blood l-phenylalanine levels; yet, the metabolic effect was not sustained due to protein degradation and immunogenicity [C.N. Sarkissian, Z. Shao, F. Blain, R. Peevers, H. Su, R. Heft, T.M. Chang, C.R. Scriver, A different approach to treatment of phenylketonuria:phenylalanine degradation with recombinant phenylalanine ammonia lyase, Proc. Natl. Acad. Sci. USA 96 (1999) 2339; J.A. Hoskins, G. Jack, H.E. Wade, R.J. Peiris, E.C. Wright, D.J. Starr, J. Stern, Enzymatic control of phenylalanine intake in phenylketonuria, Lancet 1 (1980) 392; C.M. Ambrus, S. Anthone, C. Horvath, K. Kalghatgi, A.S. Lele, G. Eapen, J.L. Ambrus, A.J. Ryan, P. Li, Extracorporeal enzyme reactors for depletion of phenylalanine in phenylketonuria, Ann. Intern. Med. 106 (1987) 531]. Here, we report the 1.6A three-dimensional structure of Rhodosporidium toruloides PAL, structure-based molecular engineering, pegylation of PAL, as well as in vitro and in vivo PKU mouse model studies on pegylated PAL formulations. Our results show that pegylation of R. toruloides PAL leads to promising therapeutic efficacy after subcutaneous injection by enhancing the in vivo activity, lowering plasma phenylalanine, and leading to reduced immunogenicity. The three-dimensional structure of PAL provides a

  5. New high temperature modification of CeTiGe: structural characterization and physical properties.

    Science.gov (United States)

    Chevalier, B; Hermes, W; Gaudin, E; Pöttgen, R

    2010-04-14

    The new high temperature form (HT) of the ternary germanide CeTiGe was prepared by annealing at 1373 K. The investigation of HT-CeTiGe by x-ray powder diffraction shows that the compound crystallizes in the tetragonal CeScSi type structure (space group I4/mmm; a=414.95(2) and c=1590.85(10) pm as unit cell parameters). Electrical resistivity, thermoelectric power, magnetization and specific heat measurements performed down to 2 K on HT-CeTiGe reveal a non-magnetic strongly correlated electron system; the specific heat divided by temperature attains a value of 0.635 J mol(-1) K(-2) at 2 K. The comparison of the physical properties of the two crystallographic modifications of CeTiGe suggests a decrease of the hybridization J(cf) between 4f(Ce) and conduction electrons in the sequence LT-CeTiGe [Formula: see text]-CeTiGe (CeScSi type). © 2010 IOP Publishing Ltd

  6. Mode shape combination in a two-dimensional vibration energy harvester through mass loading structural modification

    Energy Technology Data Exchange (ETDEWEB)

    Sharpes, Nathan; Kumar, Prashant [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Abdelkefi, Abdessattar; Abdelmoula, Hichem [Department of Mechanical and Aerospace Engineering, New Mexico State University, Las Cruces, New Mexico 88003 (United States); Adler, Jan [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Institute of Dynamics and Vibration Research (IDS), Leibniz Universität, Hannover 30167 (Germany); Priya, Shashank [Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States); Bio-Inspired Materials and Devices Laboratory (BMDL), Virginia Tech, Blacksburg, Virginia 24061 (United States)

    2016-07-18

    Mode shapes in the design of mechanical energy harvesters, as a means of performance increase, have been largely overlooked. Currently, the vast majority of energy harvester designs employ some variation of a single-degree-of-freedom cantilever, and the mode shapes of such beams are well known. This is especially true for the first bending mode, which is almost exclusively the chosen vibration mode for energy harvesting. Two-dimensional beam shapes (those which curve, meander, spiral, etc., in a plane) have recently gained research interest, as they offer freedom to modify the vibration characteristics of the harvester beam for achieving higher power density. In this study, the second bending mode shape of the “Elephant” two-dimensional beam shape is examined, and its interaction with the first bending mode is evaluated. A combinatory mode shape created by using mass loading structural modification to lower the second bending modal frequency was found to interact with the first bending mode. This is possible since the first two bending modes do not share common areas of displacement. The combined mode shape is shown to produce the most power of any of the considered mode shapes.

  7. Surface modification induced by UV nanosecond Nd:YVO4 laser structuring on biometals

    Science.gov (United States)

    Fiorucci, M. Paula; López, Ana J.; Ramil, Alberto

    2014-08-01

    Laser surface texturing is a promising tool for improving metallic biomaterials performance in dental and orthopedic bone-replacing applications. Laser ablation modifies the topography of bulk material and might alter surface properties that govern the interactions with the surrounding tissue. This paper presents a preliminary evaluation of surface modifications in two biometals, stainless steel 316L and titanium alloy Ti6Al4V by UV nanosecond Nd:YVO4. Scanning electron microscopy of the surface textured by parallel micro-grooves reveals a thin layer of remelted material along the grooves topography. Furthermore, X-ray diffraction allowed us to appreciate a grain refinement of original crystal structure and consequently induced residual strain. Changes in the surface chemistry were determined by means of X-ray photoelectron spectroscopy; in this sense, generalized surface oxidation was observed and characterization of the oxides and other compounds such hydroxyl groups was reported. In case of titanium alloy, oxide layer mainly composed by TiO2 which is a highly biocompatible compound was identified. Furthermore, laser treatment produces an increase in oxide thickness that could improve the corrosion behavior of the metal. Otherwise, laser treatment led to the formation of secondary phases which might be detrimental to physical and biocompatibility properties of the material.

  8. Structural, chemical surface and transport modifications of regenerated cellulose dense membranes due to low-dose {gamma}-radiation

    Energy Technology Data Exchange (ETDEWEB)

    Vazquez, M.I. [Grupo de Caracterizacion Electrocinetica en Membranas e Interfases, Departamento de Fisica Aplicada I, Facultad de Ciencias, Universidad de Malaga, E-29071 Malaga (Spain); Heredia-Guerrero, J.A., E-mail: jose.alejandro@icmse.csic.es [Instituto de Ciencia de Materiales de Sevilla, Centro Mixto CSIC-Universidad de Sevilla, Avda, Americo Vespuccio 49, 41092 Sevilla (Spain); Galan, P. [Grupo de Caracterizacion Electrocinetica en Membranas e Interfases, Departamento de Fisica Aplicada I, Facultad de Ciencias, Universidad de Malaga, E-29071 Malaga (Spain); Benitez, J.J. [Instituto de Ciencia de Materiales de Sevilla, Centro Mixto CSIC-Universidad de Sevilla, Avda, Americo Vespuccio 49, 41092 Sevilla (Spain); Benavente, J. [Grupo de Caracterizacion Electrocinetica en Membranas e Interfases, Departamento de Fisica Aplicada I, Facultad de Ciencias, Universidad de Malaga, E-29071 Malaga (Spain)

    2011-04-15

    Research highlights: {yields} Low dose {gamma}-radiation causes slight structural, chemical and morphological changes on regenerated cellulose films. {yields} Induced structural changes increase the fragility of irradiated films. {yields} Structural modifications reduce ion permeability of films. - Abstract: Modifications caused in commercial dense regenerated cellulose (RC) flat membranes by low-dose {gamma}-irradiation (average photons energy of 1.23 MeV) are studied. Slight structural, chemical and morphological surface changes due to irradiation in three films with different RC content were determined by ATR-FTIR, XRD, XPS and AFM. Also, the alteration of their mechanical elasticity has been studied. Modification of membrane performance was determined from solute diffusion coefficient and effective membrane fixed charge concentration obtained from NaCl diffusion measurements. Induced structural changes defining new and effective fracture propagation directions are considered to be responsible for the increase of fragility of irradiated RC membranes. The same structural changes are proposed to explain the reduction of the membrane ion permeability through a mechanism involving either ion pathways elongation and/or blocking.

  9. Light and electron microscopic evaluation of hydrogen ion-induced brain necrosis.

    Science.gov (United States)

    Petito, C K; Kraig, R P; Pulsinelli, W A

    1987-10-01

    Excessive accumulation of hydrogen ions in the brain may play a pivotal role in initiating the necrosis seen in infarction and following hyperglycemic augmentation of ischemic brain damage. To examine possible mechanisms involved in hydrogen ion-induced necrosis, sequential structural changes in rat brain were examined following intracortical injection of sodium lactate solution (pH 4.5), as compared with injections at pH 7.3. Following pH 7.3 injection, neuronal swelling developed between 1 and 6 h, but only a needle track wound surrounded by a thin rim of necrotic neurons and vacuolated neuropil was present 24 h after injection. In contrast, pH 4.5 injection produced neuronal necrosis as soon as 1 h after injection, followed by necrosis of astrocytes and intravascular thrombi at 3 and 6 h. Alterations common to both groups included vascular permeability to horseradish peroxidase, dilation of extracellular spaces, astrocyte swelling, capillary compression, and vascular stasis. These data suggest that neurons, astrocytes, and endothelia can be directly damaged by increased acid in the interstitial space. Lethal injury initially appeared to affect neurons, while subsequent astrocyte necrosis and vascular occlusion may damage tissue by secondary ischemia.

  10. Co-substitution driven electronic structure modifications in Zn{sub 1−x}Co{sub x}O

    Energy Technology Data Exchange (ETDEWEB)

    Vagadia, Megha; Ravalia, Ashish; Katba, Savan; Solanki, P.S. [Department of Physics, Saurashtra University, Rajkot 360 005 (India); Bapna, Komal; Kumar, Manish; Choudhary, R.J.; Phase, D.M. [UGC DAE Consortium for Scientific Research, Khandwa Road, Indore 01 (India); Kuberkar, D.G., E-mail: dgkuberkar@rediffmail.com [Department of Physics, Saurashtra University, Rajkot 360 005 (India)

    2014-10-15

    Highlights: • Sol–gel grown polycrystalline single phasic Zn{sub 1−x}Co{sub x}O system is synthesized. • X-ray Photoemission spectroscopy reveals that, Co-substitution results in the E{sub F} shift and chemical shift in ZnO. • Co-substitution induced electronic structure and valence band modifications in Zn{sub 1−x}Co{sub x}O (x = 0, 0.5 and 0.15) samples. • Co 3d states around 3.4 eV show resonance at ∼62 eV and are hybridized with O 2p bonding states. - Abstract: We report, the studies on the electronic structure and valence band modifications in sol–gel grown Zn{sub 1−x}Co{sub x}O (x = 0, 0.5 and 0.15) samples, obtained using X-ray photoelectron spectroscopy (XPS) measurements. Structural studies confirm the single phasic hexagonal wurtzite structure having space group P6{sub 3}mc. XPS measurements of Co 2p core level indicate that, Co-ions are in +2 state in ZnO. Using valence band spectroscopy (VBS) and resonant photoemission spectroscopy (RPES) measurements, modifications in the electronic structure of Co-doped ZnO have been understood in the context of increment in the occupation of Co-3d states with Co-content which extends the VB maxima edge.

  11. Structural modifications of Helicobacter pylori lipopolysaccharide: An idea for how to live in peace

    Science.gov (United States)

    Chmiela, Magdalena; Miszczyk, Eliza; Rudnicka, Karolina

    2014-01-01

    In this review, we discuss the findings and concepts underlying the “persistence mechanisms” of Helicobacter pylori (H. pylori), a spiral-shaped, Gram-negative rod bacterium that was discovered as a gastric pathogen by Marshall and Warren in 1984. H. pylori colonizes the gastric mucosa of nearly half of the human population. Infections appear in early childhood and, if not treated, persist for life. The presence or absence of symptoms and their severity depend on multiple bacterial components, host susceptibility and environmental factors, which allow H. pylori to switch between pathogenicity and commensalism. Many studies have shown that H. pylori components may facilitate the colonization process and the immune response of the host during the course of H. pylori infection. These H. pylori-driven interactions might result from positive or negative modulation. Among the negative immunomodulators, a prominent position is occupied by a vacuolating toxin A (VacA) and cytotoxin-associated gene A (CagA) protein. However, in light of the recent studies that are presented in this review, it is necessary to enrich this panel with H. pylori lipopolysaccharide (LPS). Together with CagA and VacA, LPS suppresses the elimination of H. pylori bacteria from the gastric mucosa by interfering with the activity of innate and adaptive immune cells, diminishing the inflammatory response, and affecting the adaptive T lymphocyte response, thus facilitating the development of chronic infections. The complex strategy of H. pylori bacteria for survival in the gastric mucosa of the host involves both structural modifications of LPS lipid A to diminish its endotoxic properties and the expression and variation of Lewis determinants, arranged in O-specific chains of H. pylori LPS. By mimicking host components, this phenomenon leaves these bacteria “invisible” to immune cells. Together, these mechanisms allow H. pylori to survive and live for many years within their hosts. PMID:25110419

  12. STUDY ON VARIATION OF SETTING AND STOPPING PRESSURES OF SAFETY VALVE WITH STRUCTURAL MODIFICATION

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The possibility of pressure control with the structural change of a safety valve is investigated. Safety valve is commonly used as safety devices for numerous applications which include boilers,ships,industrial plants,and piping.Setting and stopping pressures of a safety valve,pset and psto,are traditionally adjusted with a fine tuning of seat ring and valve ring heights, hsr and hvr. However, it is not easy to achieve the proper setting and stopping pressures of a safety valve in practice. The depth of inside and outside grooves in a valve, di and do are modified and their effects on setting and stopping pressures of a safety vlave are tested. The most appropriate values appear 1.0 mm in di and 0.5~1.0 mm in do,respectively. The valve ring height, hvr,shows that the best results can be achieved at 2.3 mm for setting pressures of 0.1~0.4 MPa and 1.0 mm for setting pressures of 0.5~1.0 MPa. The stopping pressures increases with the increase of seat ring height,hsr, upto certain hsr value and then becomes independent to the seat ring height. This implies that there exists the optimum hsr,which provides the largest flow rate and the proper stopping pressure. Stopping pressures of a safety valve are adjusted with the seat ring and valve ring heights. This study,however,demonstrated that the modification of value grooves also changes setting and stopping pressures of a safety valve.Therefore,the proper selection in dimensions of the inside and outside grooves should be considered for the safety valve design.

  13. Structural Study and Modification of Support Layer for Forward Osmosis Membranes

    KAUST Repository

    Shi, Meixia

    2016-06-01

    Water scarcity is a serious global issue, due to the increasing population and developing economy, and membrane technology is an essential way to address this problem. Forward osmosis (FO) is an emerging membrane process, due to its low energy consumption (not considering the draw solute regeneration). A bottleneck to advance this technology is the design of the support layer for FO membranes to minimize the internal concentration polarization. In this dissertation, we focus on the structural study and modification of the support layer for FO membranes. Firstly, we digitally reconstruct different membrane morphologies in 3D and propose a method for predicting performance in ultrafiltration operations. Membranes with analogous morphologies are later used as substrate for FO membranes. Secondly, we experimentally apply substrates with different potentially suitable morphologies as an FO support layer. We investigate their FO performance after generating a selective polyamide layer on the top, by interfacial polymerization. Among the different substrates we include standard asymmetric porous membranes prepared from homopolymers, such as polysulfone. Additionally block copolymer membrane and Anodisc alumina membrane are chosen based on their exceptional structures, with cylindrical pores at least in part. 3D digitally reconstructed porous substrates, analogous to those investigated for ultrafiltration, are then used to model the performance in FO operation. Finally, we analyze the effect of intermediate layers between the porous substrate and the interfacial polymerized layer. We investigate two materials including chitosan and hydrogel. The main results are the following. Pore-scale modeling for digital membrane generation effectively predicts the velocity profile in different layers of the membrane and the performance in UF experiments. Flow simulations confirm the advantage of finger-like substrates over sponge-like ones, when high water permeance is sought

  14. Ion-beam induced structure modifications in amorphous germanium; Ionenstrahlinduzierte Strukturmodifikationen in amorphem Germanium

    Energy Technology Data Exchange (ETDEWEB)

    Steinbach, Tobias

    2012-05-03

    Object of the present thesis was the systematic study of ion-beam induced structure modifications in amorphous germanium (a-Ge) layers due to low- (LEI) and high-energetic (SHI) ion irradiation. The LEI irradiation of crystalline Ge (c-Ge) effects because the dominating nuclear scattering of the ions on the solid-state atoms the formation of a homogeneous a-Ge Layer. Directly on the surface for fluences of two orders of magnitude above the amorphization fluence the formation of stable cavities independently on the irradiation conditions was observed. For the first time for the ion-beam induced cavity formation respectively for the steady expansion of the porous layer forming with growing fluence a linear dependence on the energy {epsilon}{sub n} deposed in nuclear processes was detected. Furthermore the formation of buried cavities was observed, which shows a dependence on the type of ions. While in the c-Ge samples in the range of the high electronic energy deposition no radiation defects, cavities, or plastic deformations were observed, the high electronic energy transfer in the 3.1 {mu}m thick pre-amorphized a-Ge surface layers leads to the formation of randomly distributed cavities. Basing on the linear connection between cavity-induced vertical volume expansion and the fluence determined for different energy transfers for the first time a material-specific threshold value of {epsilon}{sub e}{sup HRF}=(10.5{+-}1.0) kev nm{sup -1} was determined, above which the ion-beam induced cavity formation in a-Ge sets on. The anisotropic plastic deformation of th a-Ge layer superposed at inclined SHI irradiation on the cavity formation was very well described by an equation derived from the viscoelastic Maxwell model, but modified under regardment of the experimental results. The positive deformation yields determined thereby exhibit above a threshold value for the ion-beam induced plastic deformation {epsilon}{sub e}{sup S{sub a}}=(12{+-}2) keV nm{sup -1} for the first

  15. The impact of single and dual hydrothermal modifications on the molecular structure and physicochemical properties of normal corn starch.

    Science.gov (United States)

    Chung, Hyun-Jung; Hoover, Ratnajothi; Liu, Qiang

    2009-03-01

    Effect of single and dual hydrothermal modifications with annealing (ANN) and heat-moisture treatment (HMT) on molecular structure and physicochemical properties of corn starch was investigated. Normal corn starch was modified by ANN at 70% moisture at 50 degrees C for 24h and HMT at 30% moisture at 120 degrees C for 24h as well as by the combination of ANN and HMT. The apparent amylose content and swelling factor (SF) decreased on ANN and HMT, but amylose leaching (AML) increased. These changes were more pronounced on dual modification. The crystallinity (determined by X-ray diffraction), the gelatinization enthalpy (determined by differential scanning calorimetry) and ratio of 1047 cm(-1)/1022 cm(-1) (determined by Fourier transform infrared spectroscopy) slightly increased on ANN and decreased on HMT. The ANN and subsequent HMT (ANN-HMT) resulted in the lowest crystallinity, gelatinization enthalpy and ratio of 1047 cm(-1)/1022 cm(-1). The gelatinization temperature range decreased on ANN but increased on HMT. However, the gelatinization range of dually modified starches (ANN-HMT and HMT-ANN) was between ANN starch and HMT starch. Birefringence remained unchanged on ANN but slightly decreased on HMT as well as dual modification. Average chain length and amount of longer branch chains (DP> or =37) remained almost unchanged on ANN but decreased on HMT and dual modifications (ANN-HMT and HMT-ANN). HMT and dual modifications resulted in highly reduced pasting viscosity. ANN and HMT as well as dual modifications increased RDS content and decreased SDS and RS content.

  16. Measuring Complementary Electronic Structure Properties of both Deposited and Gas Phase Clusters using STM, UPS, and PES: Size-Selected Clusters on Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bowen, Kit H.

    2014-03-05

    In this project, we studied size-selected cluster interactions with surfaces, with other clusters on surfaces, and with external stimuli. These studies focused on mobility as a function of cluster size, surface morphologies as a function of composition and coverage, ion-induced modification and reactivity of clusters as a function of composition, the structural evolution of cluster cuboids culminating in the characterization of theoretically-predicted “baby crystal” clusters, and unusual fractal pattern formation due to deposition.

  17. Structural Dynamics and Epigenetic Modifications of Hoxc Loci along the Anteroposterior Body Axis in Developing Mouse Embryos

    Directory of Open Access Journals (Sweden)

    Hyehyun Min, Ji-Yeon Lee, Myoung Hee Kim

    2012-01-01

    Full Text Available Hox genes are organized as clusters and specify regional identity along the anteroposterior body axis by sequential expression at a specific time and region during embryogenesis. However, the precise mechanisms underlying the sequential spatio-temporal, collinear expression pattern of Hox genes are not fully understood. Since epigenetic modifications such as chromatin architecture and histone modifications have become crucial mechanisms for highly coordinated gene expressions, we examined such modifications. E14.5 mouse embryos were dissected into three parts along the anteroposterior axis: brain, trunk-anterior, and trunk-posterior. Then, structural changes and epigenetic modifications were analyzed along the Hoxc cluster using chromosome conformation capture and chromatin immunoprecipitation-PCR methods. Hox non-expressing brain tissues had more compact, heterochromatin-like structures together with the strong repressive mark H3K27me3 than trunk tissues. In the trunk, however, a more loose euchromatin-like topology with a reduced amount of H3K27me3 modifications were observed along the whole cluster, regardless of their potency in gene activation. The active mark H3K4me3 was rather closely associated with the collinear expression of Hoxc genes; at trunk-anterior tissues, only 3' anterior Hoxc genes were marked by H3K4me3 upon gene activation, whereas whole Hoxc genes were marked by H3K4me3 and showed expression in trunk-posterior tissues. Altogether, these results indicated that loosening of the chromatin architecture and removing H3K27me3 were not sufficient for, but rather the concomitant acquisition of H3K4me3 drove the collinear expression of Hoxc genes.

  18. Structural and functional perturbation of Giardia lamblia triosephosphate isomerase by modification of a non-catalytic, non-conserved region.

    Directory of Open Access Journals (Sweden)

    Gloria Hernández-Alcántara

    Full Text Available BACKGROUND: We have previously proposed triosephosphate isomerase of Giardia lamblia (GlTIM as a target for rational drug design against giardiasis, one of the most common parasitic infections in humans. Since the enzyme exists in the parasite and the host, selective inhibition is a major challenge because essential regions that could be considered molecular targets are highly conserved. Previous biochemical evidence showed that chemical modification of the non-conserved non-catalytic cysteine 222 (C222 inactivates specifically GlTIM. The inactivation correlates with the physicochemical properties of the modifying agent: addition of a non-polar, small chemical group at C222 reduces the enzyme activity by one half, whereas negatively charged, large chemical groups cause full inactivation. RESULTS: In this work we used mutagenesis to extend our understanding of the functional and structural effects triggered by modification of C222. To this end, six GlTIM C222 mutants with side chains having diverse physicochemical characteristics were characterized. We found that the polarity, charge and volume of the side chain in the mutant amino acid differentially alter the activity, the affinity, the stability and the structure of the enzyme. The data show that mutagenesis of C222 mimics the effects of chemical modification. The crystallographic structure of C222D GlTIM shows the disruptive effects of introducing a negative charge at position 222: the mutation perturbs loop 7, a region of the enzyme whose interactions with the catalytic loop 6 are essential for TIM stability, ligand binding and catalysis. The amino acid sequence of TIM in phylogenetic diverse groups indicates that C222 and its surrounding residues are poorly conserved, supporting the proposal that this region is a good target for specific drug design. CONCLUSIONS: The results demonstrate that it is possible to inhibit species-specifically a ubiquitous, structurally highly conserved enzyme by

  19. Modification of potato starch granule structure and morphology in planta by expression of starch binding domain fusion proteins

    OpenAIRE

    Huang, X.

    2010-01-01

    Producing starches with altered composition, structure and novel physico-chemical properties in planta by manipulating the enzymes which are involved in starch metabolism or (over)expressing heterologous enzymes has huge advantages such as broadening the range of starch applications and reducing the costs of the post-harvest starch modification. The starch binding domain (SBD) technology has been extensively explored in our lab for modifying starch in planta and producing so-called “tailored ...

  20. Si-modified BHA bioceramics as a drug delivery system: Effect of modification method on structure and Rifampicin release

    Directory of Open Access Journals (Sweden)

    Olena Sych

    2015-09-01

    Full Text Available The work is devoted to the investigation of two different methods for introduction of silicon into ceramics, based on biogenic hydroxyapatite (BHA, on the structure and properties. Thus, porous samples of Si-modified BHA-based ceramics containing 2 or 5 wt.% Si were prepared by using two different precursors, i.e. polymethylsiloxane polyhydrate and fine silica (Aerosil® 200 powder. After the modification with silicon a marked change in the structure of material was observed. The use of Aerosil® 200 permits preparation of a more uniform structure as compared to that obtained by using polymethylsiloxane polyhydrate. However, the latter promotes an increase in both the porosity of samples (from 43 to 62.3% and their solubility in saline (from 0.18 to 1.20 wt.%/day as compared to the results obtained after the modification with Aerosil® 200, where maximal porosity and solubility were 48.5% and 0.23 wt.%/day, respectively. At the same time, the modification of hydroxyapatite ceramics with silicon using silica makes it possible to prolong release of a drug (e.g. Rifampicin out of sample pores for the first 24 h as compared to the ceramics modified with polymethylsiloxane polyhydrate.

  1. Structures and Properties of High-Carbon High Speed Steel by RE-Mg-Ti Compound Modification

    Institute of Scientific and Technical Information of China (English)

    FU Han-guang; FU Ding-mei; ZOU De-ning; XING Jian-dong

    2004-01-01

    The effects of rare earths(RE)-Mg-Ti compound modification on the structures and properties of high-carbon high speed steel(HSS) were researched.The impact toughness(αk),the fracture toughness(K1c)and threshold of fatigue crack growth(ΔKth)are tested.The thermal fatigue test is done on a self-straining thermal fatigue tester,the wear test is done on a high temperature wear test machine.The results show that the matrix can be refined by the RE-Mg-Ti compound modification,the eutectic carbides are inclined to spheroidicize and are distributed evenly,the morphology and distribution of eutectic carbides are improved by appropriate RE-Mg-Ti complex modification.After RE-Mg-Ti compound modification,a little effects can be found on the strength,hardness and red hardness,but the fracture toughness(K1c) and threshold of fatigue crack growth(△Kth) are improved in the meantime,the impact toughness (αk) is increased by over one time,and the resistance to thermal fatigue and wear resistance at an elevated temperature are remarkably improved.

  2. Influence of DC plasma modification on the selected properties and the geometrical surface structure of polylactide prior to autocatalytic metallization

    Energy Technology Data Exchange (ETDEWEB)

    Moraczewski, Krzysztof, E-mail: kmm@ukw.edu.pl [Kazimierz Wielki University, Chodkiewicza 30, 85-064 Bydgoszcz (Poland); Rytlewski, Piotr [Kazimierz Wielki University, Chodkiewicza 30, 85-064 Bydgoszcz (Poland); Malinowski, Rafał [Institute for Engineering of Polymer Materials and Dyes, Marii Skłodowskiej-Curie 55, 87-100 Toruń (Poland); Tracz, Adam [Centre for Molecular and Macromolecular Studies of the Polish Academy of Sciences, Sienkiewicza 112, 90-363 Łódź (Poland); Żenkiewicz, Marian [Institute for Engineering of Polymer Materials and Dyes, Marii Skłodowskiej-Curie 55, 87-100 Toruń (Poland)

    2015-03-01

    The paper presents the results of studies to determine the applicability of plasma modification in the process of polylactide (PLA) surface preparation prior to the autocatalytic metallization. The polylactide plasma modification was carried out in an oxygen or nitrogen chemistry. The samples were tested with the following methods: scanning electron microscopy (SEM), atomic force microscopy (AFM), goniometry and electron spectrophotometry (XPS). Scanning electron microscopy and atomic force microscopy images were demonstrated. The results of surface free energy calculations, performed based on the results of the contact angle measurements have been presented. The results of the qualitative (degree of oxidation or nitridation) and quantitative analysis of the chemical composition of the polylactide surface layer have also been described. The results of the studies show that the DC plasma modification performed in the proposed condition is a suitable as a method of surface preparation for the polylactide metallization. - Highlights: • We modified polylactide surface layer with plasma generated in oxygen or nitrogen. • We tested selected properties and surface structure of modified samples. • DC plasma modification can be used to prepare the PLA surface for metallization. • For better results metallization should be preceded by sonication process.

  3. Study of structural modifications induced by ion implantation in austenitic stainless steel; Etude des modifications structurales induites par implantation ionique dans les aciers austenitiques

    Energy Technology Data Exchange (ETDEWEB)

    Dudognon, J

    2006-12-15

    Ion implantation in steels, although largely used to improve the properties of use, involves structural modifications of the surface layer, which remain still prone to controversies. Within this context, various elements (N, Ar, Cr, Mo, Ag, Xe and Pb) were implanted (with energies varying from 28 to 280 keV) in a 316LVM austenitic stainless steel. The implanted layer has a thickness limited to 80 nm and a maximum implanted element concentration lower than 10 % at. The analysis of the implanted layer by grazing incidence X ray diffraction highlights deformations of austenite lines, appearance of ferrite and amorphization of the layer. Ferritic phase which appears at the grain boundaries, whatever the implanted element, is formed above a given 'threshold' of energy (produced of fluency by the energy of an ion). The formation of ferrite as well as the amorphization of the implanted layer depends only on energy. In order to understand the deformations of austenite diffraction lines, a simulation model of these lines was elaborated. The model correctly describes the observed deformations (broadening, shift, splitting) with the assumption that the expansion of the austenitic lattice is due to the presence of implanted element and is proportional to the element concentration through a coefficient k'. This coefficient only depends on the element and varies linearly with its radius. (author)

  4. How modification of accessible lysines to phenylalanine modulates the structural and functional properties of horseradish peroxidase: a simulation study.

    Directory of Open Access Journals (Sweden)

    Leila Navapour

    Full Text Available Horseradish Peroxidase (HRP is one of the most studied peroxidases and a great number of chemical modifications and genetic manipulations have been carried out on its surface accessible residues to improve its stability and catalytic efficiency necessary for biotechnological applications. Most of the stabilized derivatives of HRP reported to date have involved chemical or genetic modifications of three surface-exposed lysines (K174, K232 and K241. In this computational study, we altered these lysines to phenylalanine residues to model those chemical modifications or genetic manipulations in which these positively charged lysines are converted to aromatic hydrophobic residues. Simulation results implied that upon these substitutions, the protein structure becomes less flexible. Stability gains are likely to be achieved due to the increased number of stable hydrogen bonds, improved heme-protein interactions and more integrated proximal Ca2+ binding pocket. We also found a new persistent hydrogen bond between the protein moiety (F174 and the heme prosthetic group as well as two stitching hydrogen bonds between the connecting loops GH and F'F″ in mutated HRP. However, detailed analysis of functionally related structural properties and dynamical features suggests reduced reactivity of the enzyme toward its substrates. Molecular dynamics simulations showed that substitutions narrow the bottle neck entry of peroxide substrate access channel and reduce the surface accessibility of the distal histidine (H42 and heme prosthetic group to the peroxide and aromatic substrates, respectively. Results also demonstrated that the area and volume of the aromatic-substrate binding pocket are significantly decreased upon modifications. Moreover, the hydrophobic patch functioning as a binding site or trap for reducing aromatic substrates is shrunk in mutated enzyme. Together, the results of this simulation study could provide possible structural clues to explain

  5. How modification of accessible lysines to phenylalanine modulates the structural and functional properties of horseradish peroxidase: a simulation study.

    Science.gov (United States)

    Navapour, Leila; Mogharrab, Navid; Amininasab, Mehriar

    2014-01-01

    Horseradish Peroxidase (HRP) is one of the most studied peroxidases and a great number of chemical modifications and genetic manipulations have been carried out on its surface accessible residues to improve its stability and catalytic efficiency necessary for biotechnological applications. Most of the stabilized derivatives of HRP reported to date have involved chemical or genetic modifications of three surface-exposed lysines (K174, K232 and K241). In this computational study, we altered these lysines to phenylalanine residues to model those chemical modifications or genetic manipulations in which these positively charged lysines are converted to aromatic hydrophobic residues. Simulation results implied that upon these substitutions, the protein structure becomes less flexible. Stability gains are likely to be achieved due to the increased number of stable hydrogen bonds, improved heme-protein interactions and more integrated proximal Ca2+ binding pocket. We also found a new persistent hydrogen bond between the protein moiety (F174) and the heme prosthetic group as well as two stitching hydrogen bonds between the connecting loops GH and F'F″ in mutated HRP. However, detailed analysis of functionally related structural properties and dynamical features suggests reduced reactivity of the enzyme toward its substrates. Molecular dynamics simulations showed that substitutions narrow the bottle neck entry of peroxide substrate access channel and reduce the surface accessibility of the distal histidine (H42) and heme prosthetic group to the peroxide and aromatic substrates, respectively. Results also demonstrated that the area and volume of the aromatic-substrate binding pocket are significantly decreased upon modifications. Moreover, the hydrophobic patch functioning as a binding site or trap for reducing aromatic substrates is shrunk in mutated enzyme. Together, the results of this simulation study could provide possible structural clues to explain those experimental

  6. Modifications in optical and structural properties of PMMA/PCTFE blend films as a function of PCTFE concentration

    Energy Technology Data Exchange (ETDEWEB)

    Tripathi, J., E-mail: jtripathi00@gmail.com [Dept. of Physics, ISLE, IPS Academy, Indore (India); Sharma, A. [Dept. of Physics, Manipal University Jaipur, Jaipur (India); Tripathi, S. [UGC-DAE Consortium for Scientific Research, Indore (India); Bisen, R. [Dept. of Physics, ISLE, IPS Academy, Indore (India); Agrawal, A. [Dept. of Elect. and Commun., Global Engineering College, Jabalpur (India)

    2017-06-15

    The poly (methyl methacrylate) (PMMA) polymer blend films were prepared by solution casting method with varying PolyChloroTriFluoroEthylene (PCTFE) concentrations (1–5 wt %). The crystallinity, bonding behavior and disorder in the films were investigated with X-ray diffraction (XRD), Fourier transform infrared (FTIR), UV–visible and ellipsometry techniques, while surface morphology was studied using Atomic force microscopy (AFM). The nanocrystalline nature of PMMA is seen to be preserved in the blends although there are clear indications of bond modifications. The addition of PCTFE results in the improvement of overall crystallinity of the films via the interaction among PMMA and degraded PCTFE molecules when the films are casted from diluted solutions. In agreement, corresponding disorder in terms of Urbach energy shows a decreasing trend upon inclusion of more and more PCTFE molecules. Micro-Raman spectra are dominated by fluorescence background, which is proposed as arising from degraded PCTFE. Supporting this, FTIR spectra also shows modifications in bonding as a function of PCTFE percentage, but this bond modification is not enough to produce refractive index variation in the sample, which is dominated by the host PMMA contribution for all the PCTFE concentrations. The study suggests the useful range of PCTFE concentration in which PMMA host properties can be modified for optimizing optical and structural properties without much degradation of PCTFE. - Highlights: • PMMA blend films with varying PCTFE concentrations (1–5 wt%) were prepared. • Nanocrystalline nature of PMMA is preserved in spite of bond modifications. • Addition of PCTFE results in improvement of overall crystallinity of the films. • Urbach energy shows a decreasing Disorder upon inclusion of more PCTFE molecules. • FTIR spectra show bond modifications without changing refractive index.

  7. A near infrared spectroscopic study of the structural modifications of lime (Tilia cordata Mill.) wood during hydro-thermal treatment

    Science.gov (United States)

    Popescu, Carmen-Mihaela; Popescu, Maria-Cristina

    2013-11-01

    The modifications and/or degradation of lime (Tillia cordata) wood components during wood heat treatment under low temperature at about 140 °C and 10% percentage of relative humidity were evaluated. The aim of this study was to obtain results by simple NIR coupled with second derivative, principal component analysis and two dimensional correlation spectroscopy in order to better understand how these techniques are able to evaluate structural differences resulted under hydro-thermal treatment of the wood over a period of 504 h. The NIR spectra of treated samples were compared with the reference one. Due to the broad bands in the NIR spectra, the assignment and modifications occurring during treatment is difficult, therefore the second derivative principal component analysis were applied. Principal component analysis by first two components was able to differentiate the samples series, PC1 being considered as the time axis, and PC2 as the axis representing the structural modification of wood components. 2D NIR correlation spectroscopy was able to estimate the sequential order of the groups variations under the hydro-thermal treatment time as external perturbation, indicating as first moment changes the OH and Csbnd O groups from carbohydrates and lignin, followed by Carsbnd H, Csbnd H and CH2 groups from lignin, cellulose and hemicelluloses.

  8. Photoluminescent Au-Ge composite nanodots formation on SiO2 surface by ion induced dewetting

    Science.gov (United States)

    Datta, D. P.; Siva, V.; Singh, A.; Kanjilal, D.; Sahoo, P. K.

    2017-09-01

    Medium energy ion irradiation on a bilayer of Au and Ge on SiO2 is observed to result in gradual morphological evolution from an interconnected network to a nanodot array on the insulator surface. Structural and compositional analyses reveal composite nature of the nanodots, comprising of both Au and Ge. The growing nanostructures are found to be photoluminescent at room temperature where the emission intensity and wavelengths vary with morphology. The growth of such nanostructures can be understood in terms of dewetting of the metal layer under ion irradiation due to ion-induced melting along the ion tracks. The visible PL emission is found to be related with evolution of the Au-Ge nanodots. The study indicates a route towards single step synthesis of metal-semiconductor nanodots on insulator surface.

  9. Preface: Photon and fast Ion induced Processes in Atoms, MOlecules and Nanostructures (PIPAMON)

    Science.gov (United States)

    Kövér, László

    2016-02-01

    This Special Issue contains selected papers of contributions presented in the International Workshop on Photon and fast Ion induced Processes in Atoms, MOlecules and Nanostructures (PIPAMON), held between March 24 and 26, 2015 in Debrecen, Hungary. The venue, the Aquaticum Thermal and Wellness Hotel provided a pleasant "all-under-one-roof" environment for the event.

  10. Fission fragment angular distribution in heavy-ion-induced fission with anomalous behavior

    Science.gov (United States)

    Soheyli, S.; Feizi, B.

    2014-08-01

    Fission fragment angular distribution in heavy-ion-induced fission reactions is of particular importance. Transition state theory is provided to determine the angular distribution of fission fragments which includes standard saddle-point statistical and standard scission-point statistical models. The standard saddle-point statistical model was not able to reproduce the experimental fission fragment angular anisotropies for several heavy-ion-induced fission systems. In contrast to the standard saddle-point model, the standard scission-point statistical model was fairly successful in the prediction of angular anisotropy in heavy-ion-induced fission reaction systems with an anomalous behavior in angular anisotropy of fission fragments, but this model is not widely used as the standard saddle-point statistical model. In this research, a generalized model is introduced for the prediction of fission fragments angular anisotropy in the heavy-ion-induced fission reaction systems having an anomalous behavior. For this purpose, we study the N14,O16,F19+Th232;O16,F19+U238;Mg24,Si28,S32+Pb208;S32+Au197; and O16+Cm248 reaction systems. Finally, it is shown that the presented model is much more successful than previous models.

  11. Modification of the structure and properties of commercially pure titanium through nitriding and subsequent TiN coating deposition in a single vacuum cycle

    Science.gov (United States)

    Ivanov, Yu F.; Krysina, O. V.; Petrikova, E. A.; Shugurov, V. V.; Tolkachev, O. S.; Teresov, A. D.; Koval, N. N.

    2017-05-01

    The modification of titanium by ion plasma methods consisting of hard coatings deposition on a specimen surface subjected to nitriding is carried out. It is shown that complex modification of the titanium in a single vacuum cycle is followed by formation of multilayered multiphase structure which tribological properties multiply exceed the corresponding properties of the material treated on two vacuum separated setups.

  12. Pore structure modification of diatomite as sulfuric acid catalyst support by high energy electron beam irradiation and hydrothermal treatment

    Science.gov (United States)

    Li, Chong; Zhang, Guilong; Wang, Min; Chen, Jianfeng; Cai, Dongqing; Wu, Zhengyan

    2014-08-01

    High energy electron beam (HEEB) irradiation and hydrothermal treatment (HT), were applied in order to remove the impurities and enlarge the pore size of diatomite, making diatomite more suitable to be a catalyst support. The results demonstrated that, through thermal, charge, impact and etching effects, HEEB irradiation could make the impurities in the pores of diatomite loose and remove some of them. Then HT could remove rest of them from the pores and contribute significantly to the modification of the pore size distribution of diatomite due to thermal expansion, water swelling and thermolysis effects. Moreover, the pore structure modification improved the properties (BET (Brunauer-Emmett-Teller) specific surface area, bulk density and pore volume) of diatomite and the catalytic efficiency of the catalyst prepared from the treated diatomite.

  13. Fluctuation-induced modifications of the phase structure in (2 +1 )-flavor QCD

    Science.gov (United States)

    Rennecke, Fabian; Schaefer, Bernd-Jochen

    2017-07-01

    The low-energy sector of QCD with Nf=2 +1 dynamical quark flavors at nonvanishing chemical potential and temperature is studied with a nonperturbative functional renormalization group method. The analysis is performed in different truncations in order to explore fluctuation-induced modifications of the quark-meson correlations as well as quark and meson propagators on the chiral phase transition of QCD. Depending on the chosen truncation, significant quantitative implications on the phase transition are found. In the chirally symmetric phase, the quark flavor composition of the pseudoscalar (η ,η')-meson complex turns out to be drastically sensitive to fluctuation-induced modifications in the presence of the axial U (1 )A anomaly. This has important phenomenological consequences for the assignment of chiral partners to these mesons.

  14. Fluctuation-induced modifications of the phase structure in (2+1)-flavor QCD

    CERN Document Server

    Rennecke, Fabian

    2016-01-01

    The low-energy sector of QCD with $N_f = 2\\!+\\!1$ dynamical quark flavors at non-vanishing chemical potential and temperature is studied with a non-perturbative functional renormalization group method. The analysis is performed in different truncations in order to explore fluctuation-induced modifications of the quark-meson correlations as well as quark and meson propagators on the chiral phase transition of QCD. Depending on the chosen truncation significant quantitative implications on the phase transition are found. In the chirally symmetric phase, the quark flavor composition of the pseudoscalar $(\\eta,\\eta^{\\prime})$-meson complex turns out to be drastically sensitive to fluctuation-induced modifications in the presence of the axial $U(1)_A$ anomaly. As a consequence, the pseudoscalar mixing angle tends to a novel anti-ideal mixing at large temperatures.

  15. Rotating Magnetohydrodynamic and Trapped Hot-Ion Induced Internal Kinks.

    Science.gov (United States)

    Varadarajan, V.

    1993-01-01

    As a new and significant contribution to the tokamak literature, the linear internal MHD kink modes in finite aspect-ratio axisymmetric toroidally rotating tokamak equilibria and their kinetic modifications owing to the presence of hot ions are computationally studied herein using a bilinear form derived using a Lagrangian perturbation procedure. As a practical application, the rotating MHD and kinetic internal kinks are calculated in finite aspect-ratio TFTR- and ITER -like geometries. The MHD and kinetic modes of the rotating tokamak plasmas are found to be significantly destabilized by the centrifugal effects at rotation speeds in the range of 10^4-10^5 rad/s at normal discharge densities. The kinetic instability model provides a unified description of several features of the 'fishbone'-like oscillations such as the slow mode rotating at the plasma rotation frequency, the fast mode with high rotation frequency, and variation of the slow as well as fast mode frequencies with plasma rotation. The slow kinetic modes rotate close to mean plasma rotation speeds, and the fast kinetic modes rotate at about 10 ^5 rad/s. The fast mode rotation frequencies are in the range of the magnetic-precession frequencies of the deeply trapped ions. Also, the kinetic kink modes are found to be excitable in ITER-like ignited tokamak configurations owing to hot fusion products such as alphas. Also, a feasibility study of adaptive distributed parameter control of thermokinetics is demonstrated. Fast transport simulation and control are explored using a nonlinear Galerkin procedure, and a MIMO self-tuning control algorithm. It is found that only the density control can achieve reasonable power set-point follow-up, and that more popular control schemes such as auxiliary power control are not adequate to provide real-world power swings greater than 50-100 MW around the set point. The several computational modules developed for this thesis are as follows. The equilibrium calculations are

  16. Unique Structural Modifications Are Present in the Lipopolysaccharide from Colistin-Resistant Strains of Acinetobacter baumannii

    Science.gov (United States)

    2013-10-01

    twice more, and all aqueous layers were pooled. Two milliliters of ethyl ether was added to the harvested aqueous layers. This mixture was then vor...potentially initiates a cascade of inflammatory cy- tokine production that, if unchecked, can lead to septic shock. Modifications of lipid A can...texed and centrifuged at 3,000 rpm for 5 min. The lower (organic) phase was then collected, and 2 ml of ether was added back to the remaining aqueous

  17. Effect of methylglyoxal modification on the structure and properties of human small heat shock protein HspB6 (Hsp20).

    Science.gov (United States)

    Muranova, Lydia K; Perfilov, Maxim M; Serebryakova, Marina V; Gusev, Nikolai B

    2016-07-01

    Human small heat shock protein HspB6 (Hsp20) was modified by metabolic α-dicarbonyl compound methylglyoxal (MGO). At low MGO/HspB6 molar ratio, Arg13, Arg14, Arg27, and Arg102 were the primary sites of MGO modification. At high MGO/HspB6 ratio, practically, all Arg and Lys residues of HspB6 were modified. Both mild and extensive MGO modification decreased susceptibility of HspB6 to trypsinolysis and prevented its heat-induced aggregation. Modification by MGO was accompanied by formation of small quantities of chemically crosslinked dimers and did not dramatically affect quaternary structure of HspB6. Mild modification by MGO did not affect whereas extensive modification decreased interaction of HspB6 with HspB1. Phosphorylation of HspB6 by cyclic adenosine monophosphate (cAMP)-dependent protein kinase was inhibited after mild modification and completely prevented after extensive modification by MGO. Chaperone-like activity of HspB6 measured with subfragment 1 of skeletal myosin was enhanced after MGO modifications. It is concluded that Arg residues located in the N-terminal domain of HspB6 are easily accessible to MGO modification and that even mild modification by MGO affects susceptibility to trypsinolysis, phosphorylation by cAMP-dependent protein kinase, and chaperone-like activity of HspB6.

  18. The La protein functions redundantly with tRNA modification enzymes to ensure tRNA structural stability.

    Science.gov (United States)

    Copela, Laura A; Chakshusmathi, Ghadiyaram; Sherrer, R Lynn; Wolin, Sandra L

    2006-04-01

    Although the La protein stabilizes nascent pre-tRNAs from nucleases, influences the pathway of pre-tRNA maturation, and assists correct folding of certain pre-tRNAs, it is dispensable for growth in both budding and fission yeast. Here we show that the Saccharomyces cerevisiae La shares functional redundancy with both tRNA modification enzymes and other proteins that contact tRNAs during their biogenesis. La is important for growth in the presence of mutations in either the arginyl tRNA synthetase or the tRNA modification enzyme Trm1p. In addition, two pseudouridine synthases, PUS3 and PUS4, are important for growth in strains carrying a mutation in tRNA(Arg)(CCG) and are essential when La is deleted in these strains. Depletion of Pus3p results in accumulation of the aminoacylated mutant tRNA(Arg)(CCG) in nuclei, while depletion of Pus4p results in decreased stability of the mutant tRNA. Interestingly, the degradation of mutant unstable forms of tRNA(Arg)(CCG) does not require the Trf4p poly(A) polymerase, suggesting that yeast cells possess multiple pathways for tRNA decay. These data demonstrate that La functions redundantly with both tRNA modifications and proteins that associate with tRNAs to achieve tRNA structural stability and efficient biogenesis.

  19. Maleic anhydride-g-low density polyethylene: Modification of LDPE molecular structure by γ-irradiation

    Science.gov (United States)

    Sheeja, Manaf, O.; Sujith, A.

    2017-06-01

    Polymer modification by radiation grafting of monomers onto polymers has received much attention recently. In the current study, γ-irradiation technique was used to achieve graft copolymerization of maleic anhydride (MA) onto low-density polyethylene (LDPE). To optimize, the process was performed at different γ-irradiation doses and MA concentration. The microstructure of grafted polymer film has been characterized by Fourier transform infrared spectroscopy, thermogravimetric analysis, differential scanning calorimetry, field emission-scanning electron microscopy, and atomic force microscopy. The studies performed made possible the selection of experimental protocols adequate for the production of new copolymeric materials with high grafting yield.

  20. Crystal structure of polymeric carbon nitride and the determination of its process-temperature-induced modifications

    Science.gov (United States)

    Tyborski, T.; Merschjann, C.; Orthmann, S.; Yang, F.; Lux-Steiner, M.-Ch; Schedel-Niedrig, Th

    2013-10-01

    Based on the arrangement of two-dimensional ‘melon’, we construct a unit cell for polymeric carbon nitride (PCN) synthesized via thermal polycondensation, whose theoretical diffraction powder pattern includes all major features measured in x-ray diffraction. With the help of this unit cell, we describe the process-temperature-induced crystallographic changes in PCN that occur within a temperature interval between 510 and 610 °C. We also discuss further potential modifications of the unit cell for PCN. It is found that both triazine- and heptazine-based g-C3N4 can only account for minor phases within the investigated synthesis products.

  1. Basic features of a group selection system modification aimed to sustian regular-uneven-aged stand structure

    Directory of Open Access Journals (Sweden)

    Roman Efremov

    2009-11-01

    Full Text Available Proposed modification of group selection system is aimed to successfully combine its elements with biological peculiarities (such as sympodial growth, distinct heliotropism and crown growth plasticity, heavy seeds and difficult dissemination, etc. of shade-intolerant and mid-tolerant tree species, stands of which may bemanaged under the same system. Principles, on which the modification is based, are: (i application of well founded extended rotations in order to increase the proportion of tree groups above 90-100 years age in the stand, where upon the height increment and crown side spread by most of the main tree species in Bulgary drop to considerably lower level, and (ii optimum systematic spatial positioning of openings in the stand canopy (and tree groups respectively over the stand area, so that new gaps createdby consecutive selection cuttings adjoin to a minimum number of middle aged (40-80 y. age tree groups. Such clumps of vigorous trees with high growth rates, heliotropism and plasticity carry certain risks of spoiling the target regular-unevenaged stand structure. Factors of significance are discussed by determining the rotationage, size of gaps opened in the stand canopy, selection cutting cycle, a regular uneveaged stand structure design and the minimum area that enables realisation of full selection system cycle. Definitions and determination of selection system elementsin their mutual connections are presented in consecutive steps when designing a particular application of group selection system for exemplary pure stand of common beech (Fagus sylvatica L.. By the proposed group selection system modification the amount of combinations of various factors having impact upon processes inthe tree groups are diminished compared to that by random spatial arrangement of the gaps over the stand area. Silvicultural activities aimed to maintain a stable unevenaged stand structures are thus getting more predictable, easier to schedule and

  2. Basic features of a group selection system modification aimed to sustian regular-uneven-aged stand structure

    Directory of Open Access Journals (Sweden)

    Roman Efremov

    2009-12-01

    Full Text Available Proposed modification of group selection system is aimed to successfully combine its elements with biological peculiarities (such as sympodial growth, distinct heliotropism and crown growth plasticity, heavy seeds and difficult dissemination, etc. of shade-intolerant and mid-tolerant tree species, stands of which may be managed under the same system. Principles, on which the modification is based, are: (i application of well founded extended rotations in order to increase the proportion of tree groups above 90-100 years age in the stand, where upon the height increment and crown side spread by most of the main tree species in Bulgary drop to considerably lower level, and (ii optimum systematic spatial positioning of openings in the stand canopy (and tree groups respectively over the stand area, so that new gaps created by consecutive selection cuttings adjoin to a minimum number of middle aged (40-80 y. age tree groups. Such clumps of vigorous trees with high growth rates, heliotropism and plasticity carry certain risks of spoiling the target regular-unevenaged stand structure. Factors of significance are discussed by determining the rotation age, size of gaps opened in the stand canopy, selection cutting cycle, a regularuneven- aged stand structure design and the minimum area that enables realisation of full selection system cycle. Definitions and determination of selection system elements in their mutual connections are presented in consecutive steps when designing a particular application of group selection system for exemplary pure stand of common beech (Fagus sylvatica L.. By the proposed group selection system modification the amount of combinations of various factors having impact upon processes in the tree groups are diminished compared to that by random spatial arrangement of the gaps over the stand area. Silvicultural activities aimed to maintain a stable unevenaged stand structures are thus getting more predictable, easier to schedule

  3. The influence of material of mould and modification on the structure of AlSi11 alloy

    Directory of Open Access Journals (Sweden)

    M. Łągiewka

    2012-01-01

    Full Text Available The presented work discusses the influence of material of foundry mould on the effect of modification of AlSi11 alloy. For this purpose castings were produced in moulds made of four various materials. Castings of the first type were cast in a metal die, the second ones in the conventional mould of bentonite-bound sand, those of the third type in the sand mould with oil binder, the last ones in a shell mould where phenol-formaldehyde resin was applied as a binder. All the castings were made of AlSi11 alloy modified with strontium. For a purpose of comparison also castings made of the non-modified alloy were produced. The castings were examined with regard to their microstructures. The performed investigations point out that the addition of strontium master alloy results in refining of the alloy structure, particularly of the α-phase, causes some morphological changes in the alloy and the refinement of eutectics. The advantageous influence of modifier on the structure of the examined silumin was observed particularly in the case of alloy cast either in the conventional oil-bound sand mould or in the shell mould. The non-modified alloy cast into a metal die exhibits a structure similar to those of modified alloy solidifying in the other moulds. The improvement in both tensile strength and unit elongation suggests that the modification was carried out correctly. The best mechanical properties were found for the alloy cast in a metal die, both with and without modification treatment.

  4. Structural and Digestion Properties of Soluble-, Slowly Digestible and Resistant Maltodextrin from Cassava Starch by Enzymatic Modification

    DEFF Research Database (Denmark)

    Sorndech, Waraporn

    to produce slowly digestible and resistant maltodextrin structures. Well-defined ratios of amylose only-barley starch (AO) and waxy maize starch (WX) with non-granular AO content varied from 0 to 100% were used as a substrate. For only BE catalysis, an increase rate of α-1,6 linkage formation for the 0% AO....... The combination of BEAMBE produced more resistant α-glucan products as compared to BE alone. The high amylose starch showed potential to apply as a raw material for enzymatic modification to produce slowly- and indigested dextrin. Slowly and resistant maltodextrin conferring isomaltooligosaccharides (IMO...

  5. Modification of the mesoscopic structure in neutron irradiated EPDM viewed through positron annihilation spectroscopy and dynamic mechanical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lambri, O.A., E-mail: olambri@fceia.unr.edu.a [Instituto de Fisica Rosario - CONICET, Avda. 27 de Febrero 210 bis, 2000 Rosario (Argentina); Facultad de Ciencias Exactas, Ingenieria y Agrimensura, Universidad Nacional de Rosario, Laboratorio de Materiales, Escuela de Ingenieria Electrica, Avda. Pellegrini 250, 2000 Rosario (Argentina); Plazaola, F.; Axpe, E. [Elektrizitatea eta Elektronika Saila, Zientzia eta Teknologia Fakultatea, Euskal Herriko Unibertsitatea, P.K. 644, 48080 Bilbao (Spain); Mocellini, R.R.; Zelada-Lambri, G.I. [Facultad de Ciencias Exactas, Ingenieria y Agrimensura, Universidad Nacional de Rosario, Laboratorio de Materiales, Escuela de Ingenieria Electrica, Avda. Pellegrini 250, 2000 Rosario (Argentina); Garcia, J.A. [Departamento de Fisica Aplicada II, Facultad de Ciencias y Tecnologia, Universidad del Pais Vasco, Apdo. 644, 48080 Bilbao, Pais Vasco (Spain); Matteo, C.L.; Sorichetti, P.A. [Departamento de Fisica, Facultad de Ingenieria, Universidad de Buenos Aires, Avda. Paseo Colon 850, 1063 Buenos Aires (Argentina)

    2011-02-01

    This article focuses on the study of the mesoscopic structure in neutron irradiated EPDM both from experimental and theoretical points of view. In this work we reveal completely the modification of the mesostructure of the EPDM due to neutron irradiation, resolving volume fraction, size and distribution of the crystalline zones as a function of the irradiation dose. Positron annihilation spectroscopy and dynamic mechanical analysis techniques are applied and the results are discussed by means of new theoretical results for describing the interaction process between the crystals and amorphous zones in EPDM.

  6. Epigenomic modifications predict active promoters and gene structure in Toxoplasma gondii.

    Directory of Open Access Journals (Sweden)

    Mathieu Gissot

    2007-06-01

    Full Text Available Mechanisms of gene regulation are poorly understood in Apicomplexa, a phylum that encompasses deadly human pathogens like Plasmodium and Toxoplasma. Initial studies suggest that epigenetic phenomena, including histone modifications and chromatin remodeling, have a profound effect upon gene expression and expression of virulence traits. Using the model organism Toxoplasma gondii, we characterized the epigenetic organization and transcription patterns of a contiguous 1% of the T. gondii genome using custom oligonucleotide microarrays. We show that methylation and acetylation of histones H3 and H4 are landmarks of active promoters in T. gondii that allow us to deduce the position and directionality of gene promoters with >95% accuracy. These histone methylation and acetylation "activation" marks are strongly associated with gene expression. We also demonstrate that the pattern of histone H3 arginine methylation distinguishes certain promoters, illustrating the complexity of the histone modification machinery in Toxoplasma. By integrating epigenetic data, gene prediction analysis, and gene expression data from the tachyzoite stage, we illustrate feasibility of creating an epigenomic map of T. gondii tachyzoite gene expression. Further, we illustrate the utility of the epigenomic map to empirically and biologically annotate the genome and show that this approach enables identification of previously unknown genes. Thus, our epigenomics approach provides novel insights into regulation of gene expression in the Apicomplexa. In addition, with its compact genome, genetic tractability, and discrete life cycle stages, T. gondii provides an important new model to study the evolutionarily conserved components of the histone code.

  7. Analysis of fast ion induced instabilities in tokamak plasmas

    CERN Document Server

    Horváth, László

    2015-01-01

    In magnetic confinement fusion devices like tokamaks, it is crucial to confine the high energy fusion-born helium nuclei ($\\alpha$-particles) to maintain the energy equilibrium of the plasma. However, energetic ions can excite various instabilities which can lead to their enhanced radial transport. Consequently, these instabilities may degrade the heating efficiency and they can also cause harmful power loads on the plasma-facing components of the device. Therefore, the understanding of these modes is a key issue regarding future burning plasma experiments. One of the main open questions concerning energetic particle (EP) driven instabilities is the non-linear evolution of the mode structure. In this thesis, I present my results on the investigation of $\\beta$-induced Alfv\\'{e}n eigenmodes (BAEs) and EP-driven geodesic acoustic modes (EGAMs) observed in the ramp-up phase of off-axis NBI heated plasmas in the ASDEX Upgrade tokamak. These modes were well visible on several line-of-sights (LOSs) of the soft X-ra...

  8. Ion Induced Changes in Phosphoinositide Monolayers at Phisiological Concentrations

    Science.gov (United States)

    Kazadi Badiambile, Adolphe; Forstner, Martin

    2013-03-01

    Phosphoinositides (PIPs) play a crucial role in many cellular process that occur at the plasma membrane such as calcium release, exocytosis or endocytosis. In order to specifically regulate these functions PIPs must segregate in pools at the plasma membrane. A possible mechanism that could induce and regulate such organization of phosphoinositides is their interaction with bivalent cations. Understanding the physicochemical mechanism that can regulate membrane structure is a crucial step in the development of adaptive biomimetic membrane systems. Using Langmuir monolayers, we investigated the effect of calcium and magnesium on the surface pressure-area/lipid isotherm of monolayer of phosphatidylinositol (PI), phosphatidylinositol bisphosphate (PIP2), dioleoylphosphatidylglycerol (DOPG) and palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC). It is found that the decrease of area per lipid, i.e. the increase in aggregation, is mostly dependent on the lipid's head group charge but ion specific. In addition, we discuss changes in free energy and compressibility of these monolayer-ion systems. NSF

  9. Magnetic structures of the high-pressure modifications of CoMoO{sub 4} and CuMoO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Ehrenberg, H. [Tech. Univ., Darmstadt (Germany). Fachgebiet Strukturforschung]|[Interdisciplinary Research Centre in Superconductivity, Madingley Road, Cambridge CB3 0HE (United Kingdom); Wiesmann, M.; Weitzel, H.; Fuess, H. [Tech. Univ., Darmstadt (Germany). Fachgebiet Strukturforschung; Garcia-Jaca, J. [Departamento de Quimica Inorganica, Facultad de Ciencias Quimicas Universidad Complutense de Madrid, E-28040 Madrid (Spain)

    1998-02-01

    The magnetic structures of the high-pressure modifications CoMoO{sub 4}-II and CuMoO{sub 4}-III with wolframite structure have been determined by neutron powder diffraction and are discussed in the light of the underlying crystal structure, including the comparison with CoWO{sub 4} and CuWO{sub 4}, respectively. (orig.). 14 refs.

  10. Crystal structure of the human FOXO3a-DBD/DNA complex suggests the effects of post-translational modification.

    Science.gov (United States)

    Tsai, Kuang-Lei; Sun, Yuh-Ju; Huang, Cheng-Yang; Yang, Jer-Yen; Hung, Mien-Chie; Hsiao, Chwan-Deng

    2007-01-01

    FOXO3a is a transcription factor of the FOXO family. The FOXO proteins participate in multiple signaling pathways, and their transcriptional activity is regulated by several post-translational mechanisms, including phosphorylation, acetylation and ubiquitination. Because these post-translational modification sites are located within the C-terminal basic region of the FOXO DNA-binding domain (FOXO-DBD), it is possible that these post-translational modifications could alter the DNA-binding characteristics. To understand how FOXO mediate transcriptional activity, we report here the 2.7 A crystal structure of the DNA-binding domain of FOXO3a (FOXO3a-DBD) bound to a 13-bp DNA duplex containing a FOXO consensus binding sequence (GTAAACA). Based on a unique structural feature in the C-terminal region and results from biochemical and mutational studies, our studies may explain how FOXO-DBD C-terminal phosphorylation by protein kinase B (PKB) or acetylation by cAMP-response element binding protein (CBP) can attenuate the DNA-binding activity and thereby reduce transcriptional activity of FOXO proteins. In addition, we demonstrate that the methyl groups of specific thymine bases within the consensus sequence are important for FOXO3a-DBD recognition of the consensus binding site.

  11. Surface and structure modification induced by high energy and highly charged uranium ion irradiation in monocrystal spinel

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Yitao, E-mail: yangyt@impcas.ac.cn [Materials Research Center, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Zhang, Chonghong; Song, Yin; Gou, Jie; Zhang, Liqing [Materials Research Center, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Meng, Yancheng; Zhang, Hengqing [Materials Research Center, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Ma, Yizhun [Materials Research Center, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2014-05-01

    Due to its high temperature properties and relatively good behavior under irradiation, magnesium aluminate spinel (MgAl{sub 2}O{sub 4}) is considered as a possible material to be used as inert matrix for the minor actinides burning. In this case, irradiation damage is an unavoidable problem. In this study, high energy and highly charged uranium ions (290 MeV U{sup 32+}) were used to irradiate monocrystal spinel to the fluence of 1.0 × 10{sup 13} ions/cm{sup 2} to study the modification of surface and structure. Highly charged ions carry large potential energy, when they interact with a surface, the release of potential energy results in the modification of surface. Atomic force microscopy (AFM) results showed the occurrence of etching on surface after uranium ion irradiation. The etching depth reached 540 nm. The surprising efficiency of etching is considered to be induced by the deposition of potential energy with high density. The X-ray diffraction results showed that the (4 4 0) diffraction peak obviously broadened after irradiation, which indicated that the distortion of lattice has occurred. After multi-peak Gaussian fitting, four Gaussian peaks were separated, which implied that a structure with different damage layers could be formed after irradiation.

  12. A large area position-sensitive ionization chamber for heavy-ion-induced reaction studies

    Energy Technology Data Exchange (ETDEWEB)

    Pant, L.M. E-mail: lalit.pant@exp2.physik.uni-giessen.de; Biswas, D.C.; Dinesh, B.V.; Thomas, R.G.; Saxena, A.; Sawant, Y.S.; Choudhury, R.K

    2002-12-11

    A large area position-sensitive ionization chamber with a wide dynamic range has been developed to measure the mass, charge and energy of the heavy ions and the fission fragments produced in heavy-ion-induced reactions. The split anode geometry of the detector makes it suitable for both particle identification and energy measurements for heavy ions and fission fragments. The detector has been tested with {alpha} particles from {sup 241}Am-{sup 239}Pu source, fission fragments from {sup 252}Cf and the heavy-ion beams from the 14UD Mumbai Pelletron accelerator facility. Using this detector, measurements on mass and total kinetic energy distributions in heavy-ion-induced fusion-fission reactions have been carried out for a wide range of excitation energies. Results on deep inelastic collisions and mass-energy correlations on different systems using this detector setup are discussed.

  13. A large area position-sensitive ionization chamber for heavy-ion-induced reaction studies

    CERN Document Server

    Pant, L M; Dinesh, B V; Thomas, R G; Saxena, A; Sawant, Y S; Choudhury, R K

    2002-01-01

    A large area position-sensitive ionization chamber with a wide dynamic range has been developed to measure the mass, charge and energy of the heavy ions and the fission fragments produced in heavy-ion-induced reactions. The split anode geometry of the detector makes it suitable for both particle identification and energy measurements for heavy ions and fission fragments. The detector has been tested with alpha particles from sup 2 sup 4 sup 1 Am- sup 2 sup 3 sup 9 Pu source, fission fragments from sup 2 sup 5 sup 2 Cf and the heavy-ion beams from the 14UD Mumbai Pelletron accelerator facility. Using this detector, measurements on mass and total kinetic energy distributions in heavy-ion-induced fusion-fission reactions have been carried out for a wide range of excitation energies. Results on deep inelastic collisions and mass-energy correlations on different systems using this detector setup are discussed.

  14. Structure of the Siz/PIAS SUMO E3 Ligase Siz1 and Determinants Required for SUMO Modification of PCNA

    Energy Technology Data Exchange (ETDEWEB)

    Yunus, Ali A.; Lima, Christopher D.; (SKI)

    2010-01-12

    Siz1 is a founding member of the Siz/PIAS RING family of SUMO E3 ligases. The X-ray structure of an active Siz1 ligase revealed an elongated tripartite architecture comprised of an N-terminal PINIT domain, a central zinc-containing RING-like SP-RING domain, and a C-terminal domain we term the SP-CTD. Structure-based mutational analysis and biochemical studies show that the SP-RING and SP-CTD are required for activation of the E2SUMO thioester, while the PINIT domain is essential for redirecting SUMO conjugation to the proliferating cell nuclear antigen (PCNA) at lysine 164, a nonconsensus lysine residue that is not modified by the SUMO E2 in the absence of Siz1. Mutational analysis of Siz1 and PCNA revealed surfaces on both proteins that are required for efficient SUMO modification of PCNA in vitro and in vivo.

  15. The high-temperature modification of ScRuSi - Structure, 29Si and 45Sc solid state NMR spectroscopy

    Science.gov (United States)

    Hoffmann, Rolf-Dieter; Rodewald, Ute Ch.; Haverkamp, Sandra; Benndorf, Christopher; Eckert, Hellmut; Heying, Birgit; Pöttgen, Rainer

    2017-10-01

    A polycrystalline sample of the TiNiSi type low-temperature (LT) modification of ScRuSi was synthesized by arc-melting. Longer annealing in a sealed silica tube (6 weeks at 1270 K) followed by quenching led to the high-temperature (HT) phase. HT-ScRuSi adopts the ZrNiAl structure type: P 6 bar 2 m , a = 688.27(9), c = 336.72(5) pm, wR2 = 0.0861, 260 F2 values, 14 variables. The striking structural building units are regular, tricapped trigonal prisms Si1@Ru3Sc6 and Si2@Ru6Sc3. Both polymorphs have been characterized by 29Si and 45Sc MAS-NMR spectroscopy. The local scandium environments in the two polymorphs are easily distinguished by their electric field gradient tensor values, in agreement with theoretically calculated values.

  16. Season-specific and guild-specific effects of anthropogenic landscape modification on metacommunity structure of tropical bats.

    Science.gov (United States)

    Cisneros, Laura M; Fagan, Matthew E; Willig, Michael R

    2015-03-01

    Fragmentation per se due to human land conversion is a landscape-scale phenomenon. Accordingly, assessment of distributional patterns across a suite of potentially connected communities (i.e. metacommunity structure) is an appropriate approach for understanding the effects of landscape modification and complements the plethora of fragmentation studies that have focused on local community structure. To date, metacommunity structure within human-modified landscapes has been assessed with regard to nestedness along species richness gradients. This is problematic because there is little support that species richness gradients are associated with the factors moulding species distributions. More importantly, many alternative patterns are possible, and different patterns may manifest during different seasons and for different guilds because of variation in resource availability and resource requirements of taxa. We determined the best-fit metacommunity structure of a phyllostomid bat assemblage, frugivore ensemble, and gleaning animalivore ensemble within a human-modified landscape in the Caribbean lowlands of Costa Rica during the dry and wet seasons to elucidate important structuring mechanisms. Furthermore, we identified the landscape characteristics associated with the latent gradient underlying metacommunity structure. We discriminated among multiple metacommunity structures by assessing coherence, range turnover, and boundary clumping of an ordinated site-by-species matrix. We identified the landscape characteristics associated with the latent gradient underlying metacommunity structure via hierarchical partitioning. Metacommunity structure was never nested nor structured along a richness gradient. The phyllostomid assemblage and frugivore ensemble exhibited Gleasonian structure (range turnover along a common gradient) during the dry season and Clementsian structure (range turnover and shared boundaries along a common gradient) during the wet season. Distance

  17. Heavy-ion-induced desorption of organic molecules studied with Langmuir-Blodgett multilayer systems (DE)

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, R.; Schoppmann, C.; Brandl, D.; Ostrowski, A.; Voit, H. (Physikalisches Institut der Universitaet Erlangen-Nuernberg D-8520 Erlangen, (Germany)); Johannsmann, D.; Knoll, W. (Max-Planck-Institut fuer Polymerforschung Mainz D-6500 Mainz, (Germany))

    1991-07-01

    Heavy-ion-induced desorption has been studied with samples consisting of Langmuir-Blodgett films made from Cd salts of fatty acids. The experiments confirm the result of previous works that heavy ions drill a crater into the sample surface. The explicit dependence of the crater depth on the electronic energy loss could be determined from the experiments. The craters exhibit the shape of a symmetric cone as obtained from a desorption model applied to the experimental data.

  18. Early cytoskeletal protein modifications precede overt structural degeneration in the DBA/2J mouse model of glaucoma

    Directory of Open Access Journals (Sweden)

    Gina Nicole Wilson

    2016-11-01

    Full Text Available Axonal transport deficits precede structural loss in glaucoma and other neurodegenerations. Impairments in structural support, including modified cytoskeletal proteins and microtubule-destabilizing elements, could be initiating factors in glaucoma pathogenesis. We investigated the time course of changes in protein levels and post-translational modifications in the DBA/2J mouse model of glaucoma. Using anterograde tract tracing of the retinal projection, we assessed major cytoskeletal and transported elements as a function of transport integrity in different stages of pathological progression. Using capillary-based electrophoresis, single- and multiplex immunosorbent assays, and immunofluorescence, we quantified hyperphosphorylated neurofilament-heavy chain, phosphorylated tau (ptau, calpain-mediated spectrin breakdown product (145/150kDa, β –tubulin, and amyloid-β42 proteins based on age and transport outcome to the superior colliculus (SC, the main retinal target in mice. Phosphorylated neurofilament-heavy chain (pNF-H was elevated within the optic nerve (ON and SC of 8-10 month-old DBA/2J mice, but was not evident in the retina until 12-15 months, suggesting that cytoskeletal modifications first appear in the distal retinal projection. As expected, higher pNF-H levels in the SC and retina were correlated with axonal transport deficits. Elevations in hyperphosphorylated tau (ptau occurred in ON and SC between 3-8 month of age while retinal ptau accumulations occurred at 12-15 months in DBA/2J mice. In vitro co-immunoprecipitation experiments suggested increased affinity of ptau for the retrograde motor complex protein, dynactin. We observed a transport-related decrease of β-tubulin in ON of 10-12 month-old DBA/2J mice, suggesting destabilized microtubule array. Elevations in calpain-mediated spectrin breakdown product were seen in ON and SC at the earliest age examined, well before axonal transport loss is evident. Finally, transport

  19. Finite element prediction of seismic response modification of monumental structures utilizing base isolation

    Science.gov (United States)

    Spanos, Konstantinos; Anifantis, Nikolaos; Kakavas, Panayiotis

    2015-05-01

    The analysis of the mechanical behavior of ancient structures is an essential engineering task concerning the preservation of architectural heritage. As many monuments of classical antiquity are located in regions of earthquake activity, the safety assessment of these structures, as well as the selection of possible restoration interventions, requires numerical models capable of correctly representing their seismic response. The work presented herein was part of a research project in which a better understanding of the dynamics of classical column-architrave structures was sought by means of numerical techniques. In this paper, the seismic behavior of ancient monumental structures with multi-drum classical columns is investigated. In particular, the column-architrave classical structure under strong ground excitations was represented by a finite element method. This approach simulates the individual rock blocks as distinct rigid blocks interconnected with slidelines and incorporates seismic isolation dampers under the basement of the structure. Sliding and rocking motions of individual stone blocks and drums are modeled utilizing non-linear frictional contact conditions. The seismic isolation is modeled through the application of pad bearings under the basement of the structure. These pads are interpreted by appropriate rubber and steel layers. Time domain analyses were performed, considering the geometric and material non-linear behavior at the joints and the characteristics of pad bearings. The deformation and failure modes of drum columns subject to seismic excitations of various types and intensities were analyzed. The adverse influence of drum imperfections on structural safety was also examined.

  20. Structural modifications of mitochondria-targeted chlorambucil alter cell death mechanism but preserve MDR evasion.

    Science.gov (United States)

    Jean, Sae Rin; Pereira, Mark P; Kelley, Shana O

    2014-08-04

    Multidrug resistance (MDR) remains one of the major obstacles in chemotherapy, potentially rendering a multitude of drugs ineffective. Previously, we have demonstrated that mitochondrial targeting of DNA damaging agents is a promising tool for evading a number of common resistance factors that are present in the nucleus or cytosol. In particular, mitochondria-targeted chlorambucil (mt-Cbl) has increased potency and activity against resistant cancer cells compared to the parent compound chlorambucil (Cbl). However, it was found that, due to its high reactivity, mt-Cbl induces a necrotic type of cell death via rapid nonspecific alkylation of mitochondrial proteins. Here, we demonstrate that by tuning the alkylating activity of mt-Cbl via chemical modification, the rate of generation of protein adducts can be reduced, resulting in a shift of the cell death mechanism from necrosis to a more controlled apoptotic pathway. Moreover, we demonstrate that all of the modified mt-Cbl compounds effectively evade MDR resulting from cytosolic GST-μ upregulation by rapidly accumulating in mitochondria, inducing cell death directly from within. In this study, we systematically elucidated the advantages and limitations of targeting alkylating agents with varying reactivity to mitochondria.

  1. Evaluation of albumin structural modifications through cobalt-albumin binding (CAB) assay.

    Science.gov (United States)

    Lee, Eunyoung; Eom, Ji-Eun; Jeon, Kyung-Hwa; Kim, Tae Hee; Kim, Eunnam; Jhon, Gil-Ja; Kwon, Youngjoo

    2014-03-01

    Human serum albumin (HSA) is the most abundant protein in the human body. HSA injections prepared by fractionating human blood have mainly covered the demand for albumin to treat hypoalbuminemia, the state of low concentration of albumin in blood. HSA in solution may exist in various forms such as monomers, oligomers, polymers, or as mixtures, and its conformational change and/or aggregation may occur easily. Considering these characteristics, there is a great chance of modification and polymer formation during the preparation processes of albumin products, especially injections. The albumin cobalt binding (ACB) test reported by Bar-Or et al. was originally designed to detect ischemia modified albumin (IMA), which contains the modified HSA N-terminal sequence by cleavage of the last two amino acids. In this study, we developed a cobalt albumin binding (CAB) assay to correct the flaws of the ACB test with improving the sensitivity and precision. The newly developed CAB assay easily detects albumin configuration alterations and may be able to be used in developing a quality control method for albumin and its pharmaceutical formulations including albumin injections. Copyright © 2013 The Authors. Published by Elsevier B.V. All rights reserved.

  2. Evolution of Structure in Nuclei: Meditation by Sub-Shell Modifications and Relation to Binding Energies

    Science.gov (United States)

    Casten, R. F.; Cakirli, R. B.

    2009-03-01

    Understanding the development of configuration mixing, coherence, collectivity, and deformation in nuclei is one of the crucial challenges in nuclear structure physics, and one which has become all the more important with the advent of next generation facilities for the study of exotic nuclei. We will discuss recent work on phase/shape transitional behavior in nuclei, and the role of changes in sub-shell structure in mediating such transitional regions. We will also discuss a newly found, much deeper, link between nuclear structure and nuclear binding energies.

  3. Effect of mechanical activation on structure changes and reactivity in further chemical modification of lignin.

    Science.gov (United States)

    Zhao, Xiaohong; Zhang, Yanjuan; Hu, Huayu; Huang, Zuqiang; Yang, Mei; Chen, Dong; Huang, Kai; Huang, Aimin; Qin, Xingzhen; Feng, Zhenfei

    2016-10-01

    Lignin was treated by mechanical activation (MA) in a customized stirring ball mill, and the structure and reactivity in further esterification were studied. The chemical structure and morphology of MA-treated lignin and the esterified products were analyzed by chemical analysis combined with UV/vis spectrometer, FTIR,NMR, SEM and particle size analyzer. The results showed that MA contributed to the increase of aliphatic hydroxyl, phenolic hydroxyl, carbonyl and carboxyl groups but the decrease of methoxyl groups. Moreover, MA led to the decrease of particle size and the increase of specific surface area and roughness of surface in lignin. The reactivity of lignin was enhanced significantly for the increase of hydroxyl content and the improvement of mass transfer in chemical reaction caused by the changes of molecular structure and morphological structure. The process of MA is green and simple, and is an effective method for enhancing the reactivity of lignin. Copyright © 2016 Elsevier B.V. All rights reserved.

  4. Online in situ x-ray diffraction setup for structural modification studies during swift heavy ion irradiation

    Science.gov (United States)

    Grygiel, C.; Lebius, H.; Bouffard, S.; Quentin, A.; Ramillon, J. M.; Madi, T.; Guillous, S.; Been, T.; Guinement, P.; Lelièvre, D.; Monnet, I.

    2012-01-01

    The high energy density of electronic excitations due to the impact of swift heavy ions can induce structural modifications in materials. We present an x-ray diffractometer called ALIX ("Analyse en Ligne sur IRRSUD par diffraction de rayons X"), which has been set up at the low-energy beamline (IRRadiation SUD - IRRSUD) of the Grand Accélérateur National d'Ions Lourds facility, to allow the study of structural modification kinetics as a function of the ion fluence. The x-ray setup has been modified and optimized to enable irradiation by swift heavy ions simultaneously to x-ray pattern recording. We present the capability of ALIX to perform simultaneous irradiation-diffraction by using energy discrimination between x-rays from diffraction and from ion-target interaction. To illustrate its potential, results of sequential or simultaneous irradiation-diffraction are presented in this article to show radiation effects on the structural properties of ceramics. Phase transition kinetics have been studied during xenon ion irradiation of polycrystalline MgO and SrTiO3. We have observed that MgO oxide is radiation-resistant to high electronic excitations, contrary to the high sensitivity of SrTiO3, which exhibits transition from the crystalline to the amorphous state during irradiation. By interpreting the amorphization kinetics of SrTiO3, defect overlapping models are discussed as well as latent track characteristics. Together with a transmission electron microscopy study, we conclude that a single impact model describes the phase transition mechanism.

  5. Online in situ x-ray diffraction setup for structural modification studies during swift heavy ion irradiation.

    Science.gov (United States)

    Grygiel, C; Lebius, H; Bouffard, S; Quentin, A; Ramillon, J M; Madi, T; Guillous, S; Been, T; Guinement, P; Lelièvre, D; Monnet, I

    2012-01-01

    The high energy density of electronic excitations due to the impact of swift heavy ions can induce structural modifications in materials. We present an x-ray diffractometer called ALIX ("Analyse en Ligne sur IRRSUD par diffraction de rayons X"), which has been set up at the low-energy beamline (IRRadiation SUD - IRRSUD) of the Grand Accélérateur National d'Ions Lourds facility, to allow the study of structural modification kinetics as a function of the ion fluence. The x-ray setup has been modified and optimized to enable irradiation by swift heavy ions simultaneously to x-ray pattern recording. We present the capability of ALIX to perform simultaneous irradiation-diffraction by using energy discrimination between x-rays from diffraction and from ion-target interaction. To illustrate its potential, results of sequential or simultaneous irradiation-diffraction are presented in this article to show radiation effects on the structural properties of ceramics. Phase transition kinetics have been studied during xenon ion irradiation of polycrystalline MgO and SrTiO(3). We have observed that MgO oxide is radiation-resistant to high electronic excitations, contrary to the high sensitivity of SrTiO(3), which exhibits transition from the crystalline to the amorphous state during irradiation. By interpreting the amorphization kinetics of SrTiO(3), defect overlapping models are discussed as well as latent track characteristics. Together with a transmission electron microscopy study, we conclude that a single impact model describes the phase transition mechanism.

  6. X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.

    Science.gov (United States)

    Goldman, Peter J; Grove, Tyler L; Sites, Lauren A; McLaughlin, Martin I; Booker, Squire J; Drennan, Catherine L

    2013-05-21

    Arylsulfatases require a maturating enzyme to perform a co- or posttranslational modification to form a catalytically essential formylglycine (FGly) residue. In organisms that live aerobically, molecular oxygen is used enzymatically to oxidize cysteine to FGly. Under anaerobic conditions, S-adenosylmethionine (AdoMet) radical chemistry is used. Here we present the structures of an anaerobic sulfatase maturating enzyme (anSME), both with and without peptidyl-substrates, at 1.6-1.8 Å resolution. We find that anSMEs differ from their aerobic counterparts in using backbone-based hydrogen-bonding patterns to interact with their peptidyl-substrates, leading to decreased sequence specificity. These anSME structures from Clostridium perfringens are also the first of an AdoMet radical enzyme that performs dehydrogenase chemistry. Together with accompanying mutagenesis data, a mechanistic proposal is put forth for how AdoMet radical chemistry is coopted to perform a dehydrogenation reaction. In the oxidation of cysteine or serine to FGly by anSME, we identify D277 and an auxiliary [4Fe-4S] cluster as the likely acceptor of the final proton and electron, respectively. D277 and both auxiliary clusters are housed in a cysteine-rich C-terminal domain, termed SPASM domain, that contains homology to ~1,400 other unique AdoMet radical enzymes proposed to use [4Fe-4S] clusters to ligate peptidyl-substrates for subsequent modification. In contrast to this proposal, we find that neither auxiliary cluster in anSME bind substrate, and both are fully ligated by cysteine residues. Instead, our structural data suggest that the placement of these auxiliary clusters creates a conduit for electrons to travel from the buried substrate to the protein surface.

  7. Control of Flow Structure on Non-Slender Delta Wing: Bio-inspired Edge Modifications, Passive Bleeding, and Pulsed Blowing

    Science.gov (United States)

    Yavuz, Mehmet Metin; Celik, Alper; Cetin, Cenk

    2016-11-01

    In the present study, different flow control approaches including bio-inspired edge modifications, passive bleeding, and pulsed blowing are introduced and applied for the flow over non-slender delta wing. Experiments are conducted in a low speed wind tunnel for a 45 degree swept delta wing using qualitative and quantitative measurement techniques including laser illuminated smoke visualization, particle image velocimety (PIV), and surface pressure measurements. For the bio-inspired edge modifications, the edges of the wing are modified to dolphin fluke geometry. In addition, the concept of flexion ratio, a ratio depending on the flexible length of animal propulsors such as wings, is introduced. For passive bleeding, directing the free stream air from the pressure side of the planform to the suction side of the wing is applied. For pulsed blowing, periodic air injection through the leading edge of the wing is performed in a square waveform with 25% duty cycle at different excitation frequencies and compared with the steady and no blowing cases. The results indicate that each control approach is quite effective in terms of altering the overall flow structure on the planform. However, the success level, considering the elimination of stall or delaying the vortex breakdown, depends on the parameters in each method.

  8. Pore structure modification of diatomite as sulfuric acid catalyst support by high energy electron beam irradiation and hydrothermal treatment

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chong [Research Center of the Ministry of Education for High Gravity Engineering and Technology, Beijing University of Chemical Technology, Beijing 100029 (China); Zhang, Guilong; Wang, Min [Key Laboratory of Ion Beam Bioengineering, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031 (China); Chen, Jianfeng [Research Center of the Ministry of Education for High Gravity Engineering and Technology, Beijing University of Chemical Technology, Beijing 100029 (China); Cai, Dongqing, E-mail: dqcai@ipp.ac.cn [Key Laboratory of Ion Beam Bioengineering, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031 (China); Wu, Zhengyan, E-mail: zywu@ipp.ac.cn [Key Laboratory of Ion Beam Bioengineering, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031 (China)

    2014-08-15

    Highlights: • High energy electron beam (HEEB) irradiation and hydrothermal treatment were used. • HEEB irradiation could make the impurities in the pores of diatomite loose. • Hydrothermal treatment (HT) could remove these impurities from the pores. • They could effectively improve pore size distribution and decrease the bulk density. • Catalytic performance of the corresponding catalyst was significantly improved. - Abstract: High energy electron beam (HEEB) irradiation and hydrothermal treatment (HT), were applied in order to remove the impurities and enlarge the pore size of diatomite, making diatomite more suitable to be a catalyst support. The results demonstrated that, through thermal, charge, impact and etching effects, HEEB irradiation could make the impurities in the pores of diatomite loose and remove some of them. Then HT could remove rest of them from the pores and contribute significantly to the modification of the pore size distribution of diatomite due to thermal expansion, water swelling and thermolysis effects. Moreover, the pore structure modification improved the properties (BET (Brunauer–Emmett–Teller) specific surface area, bulk density and pore volume) of diatomite and the catalytic efficiency of the catalyst prepared from the treated diatomite.

  9. Structural and chemical modifications of typical South African biomasses during torrefaction.

    Science.gov (United States)

    Mafu, Lihle D; Neomagus, Hein W J P; Everson, Raymond C; Carrier, Marion; Strydom, Christien A; Bunt, John R

    2016-02-01

    Torrefaction experiments were carried out for three typical South African biomass samples (softwood chips, hardwood chips and sweet sorghum bagasse) to a weight loss of 30 wt.%. During torrefaction, moisture, non-structural carbohydrates and hemicelluloses were reduced, resulting in a structurally modified torrefaction product. There was a reduction in the average crystalline diameter (La) (XRD), an increase in the aromatic fraction and a reduction in aliphatics (substituted and unsubstituted) (CPMAS (13)C NMR). The decrease in the aliphatic components of the lignocellulosic material under the torrefaction conditions also resulted in a slight ordering of the carbon lattice. The degradation of hemicelluloses and non-structural carbohydrates increased the inclusive surface area of sweet sorghum bagasse, while it did not change significantly for the woody biomasses.

  10. Pressure Drop and Vibration Characteristics of the Capsule with the Modification of Bottom Structures

    Energy Technology Data Exchange (ETDEWEB)

    Choi, M. H.; Choo, K. N.; Cho, M. S.; Park, S. J.; Kang, Y. H.; Son, J. M.; Shin, Y. T.; Lee, D. S.; Kim, B. G

    2005-07-15

    The bottom structure of an instrumented capsule is a part which is joined at the receptacle of the flow tube in the reactor in-core. A geometrical change of the bottom structure has an effect on the pressure drop and the vibration of the capsule. The receptacle of a single channel test loop was slightly modified in March 2005, and the out-pile test to evaluate the structural integrity of the creep capsule(03S-07K) and the material capsule(04M-17U) was performed by using a single channel and a half core test loop. From the pressure drop test of the dummy fuel, we confirmed that the modified single channel test loop has an equal flow rate to the HANARO. In the case of the material capsule with the bottom structure of a solid cone shape, the optimized diameter of the bottom structure which satisfies HANARO's flow requirement(19.6 kg/s) is 71mm. The maximum peak displacement of the two capsules measured at the half core test loop is lower than 1.0mm. From the analysis results, we can confirm that the test hole will not be interfered with near the flow tubes because its displacement due to the cooling water is very small at 0.072mm. The fundamental frequency of the capsule under water is 9.64Hz. It is expected that the resonance between the capsule and the fluid flow due to the cooling water in HANARO's in-core will not occur. Also, the new bottom structure of a solid cone shape with 71mm in diameter will be applicable to the material and special capsules in the future.

  11. Reversible phase-structure modification of photostructurable glass ceramic by CO2 laser irradiation

    Science.gov (United States)

    Sergeev, Maksim M.; Veiko, Vadim P.; Savochkin, Denis A.; Zakoldaev, Roman A.

    2016-10-01

    Structural changes and phase transformations of the photostructurable glass (PhG) surfaces under the impact of 10.6-μm wavelength laser radiation are examined. The regimes initiating the formation and development of crystalline phase and its reversible (secondary) amorphization are determined. In addition, the kinetic of crystalline phase formation and its melting on the surface of PhG are investigated. The characteristics of multiple reversible phase-structure transformations in the temperature range of 470-800 °C are investigated.

  12. Effects of an eight-week supervised, structured lifestyle modification programme on anthropometric, metabolic and cardiovascular risk factors in severely obese adults.

    LENUS (Irish Health Repository)

    Crowe, Catherine

    2015-08-01

    Lifestyle modification is fundamental to obesity treatment, but few studies have described the effects of structured lifestyle programmes specifically in bariatric patients. We sought to describe changes in anthropometric and metabolic characteristics in a cohort of bariatric patients after participation in a nurse-led, structured lifestyle programme.

  13. [Free radical modification of proteins in brain structure of Sprague-Dawley rats and some behaviour indicators after prenatal stress].

    Science.gov (United States)

    V'iushina, A V; Pritvorova, A V; Flerov, M A

    2012-08-01

    We studied the influence of late prenatal stress on free radical oxidation processes in Sprague-Dawley rats cortex, striatum, hippocampus, hypothalamus proteins. It was shown that after prenatal stress most changes were observed in hypothalamus and hippocampus. It was shown that in hypothalamus spontaneous oxidation level increased, but level of induced oxidation decreased, the opposite changes were found in hippocampus. Simultaneously minor changes of protein modification were observed in cortex and striatum. It was shown that prenatal stress changed both correlation of proteins free radical oxidation in studied structures and values of these data regarding to control. In test of "open field" motor activity in rats after prenatal stress decreased and time of freezing and grooming increased; opposite, in T-labyrinth motor activity and time of grooming in rats after prenatal stress increased, but time of freezing decreased.

  14. Hydrophobic modification of chitin whisker and its potential application in structuring oil

    NARCIS (Netherlands)

    Huang, Yao; He, Meng; Lu, Ang; Zhou, Weizheng; Stoyanov, S.D.; Pelan, E.G.; Zhang, Lina

    2015-01-01

    A facile approach was developed to modify chitin whiskers by reacting them with bromohexadecane, and the potential application of modified whiskers in structuring oil was evaluated. The results of Fourier transform infrared spectra (FT-IR), wide-angle X-ray diffraction (XRD), elemental analysis,

  15. Texture-taste interactions: Enhancement of taste intensity by structural modifications of the food matrix

    NARCIS (Netherlands)

    Stieger, M.A.

    2011-01-01

    The reduction of salt and sugar in food products remains a challenge due to the importance of those ingredients in providing a highly desired taste quality, enhancing flavor, determining the behavior of structuring ingredients, and ensuring microbiological safety. Several technologies have been used

  16. Texture-taste interactions: Enhancement of taste intensity by structural modifications of the food matrix

    NARCIS (Netherlands)

    Stieger, M.A.

    2011-01-01

    The reduction of salt and sugar in food products remains a challenge due to the importance of those ingredients in providing a highly desired taste quality, enhancing flavor, determining the behavior of structuring ingredients, and ensuring microbiological safety. Several technologies have been used

  17. Peroxynitrous acid induces structural and functional modifications to basement membranes and its key component, laminin

    DEFF Research Database (Denmark)

    Degendorfer, Georg; Chuang, Christine Y.; Hammer, Astrid;

    2015-01-01

    Basement membranes (BM) are specialized extracellular matrices underlying endothelial cells in the artery wall. Laminin, the most abundant BM glycoprotein, is a structural and biologically active component. Peroxynitrous acid (ONOOH), a potent oxidizing and nitrating agent, is formed in vivo at s...

  18. Family structure and fertility in Taiwan: an extension and modification of Caldwell's wealth flows theory.

    Science.gov (United States)

    Hsuing, P C

    1988-06-01

    Based on the data from a nationwide survey of labor force participation conducted in 1985 by the Office of the Directorate-General of Budget, Accounting and Statistics, Executive Yuan, Republic of China, this project tries to modify Caldwell's Wealth Flows Theory in order to analyze fertility behavior of married women. Caldwell's Wealth Flows Theory indicates that a patriarchal family has a significant effect on fertility. Unless the patriarchal family structure is replaced by a nuclear family system, he claims, fertility levels will remain relatively high in developing countries. However, he does not discuss social factors which may influence the process of change in the family structure and which factors in the patriarchal family may influence fertility. To make up this shortcoming, this paper shows that female educational level, employment patterns, and occupational prestige brings about change in the family structure. This research also indicates that women with higher education and occupational prestige have lower fertility. In addition, it finds that female occupational status is a main factor to bring about change in the family structure. (author's)

  19. Selective epitaxial growth of sub-micron structures of YBaCuO by substrate modification

    NARCIS (Netherlands)

    Blank, Dave H.A.; Damen, Cas A.J.; Kropman, Boike L.; Rogalla, Horst

    1994-01-01

    Sub-micron structures of high-Tc thin films have been realized with Selective Epitaxial Growth (SEG). Two different techniques to achieve SEG have been studied. First, narrow trenches down to 100 nm are etched into the substrate with a four-layer E-beam lithography technique. Second, amorphous metal

  20. Fine tuning of the rotary motion by structural modification in light-driven unidirectional molecular motors

    NARCIS (Netherlands)

    Vicario, J; Walko, M; Meetsma, A; Feringa, Ben L.

    2006-01-01

    The introduction of bulky substituents at the stereogenic center of light-driven second-generation molecular motors results in an acceleration of the speed of rotation. This is due to a more strained structure with elongated C=C bonds and a higher energy level of the ground state relative to the tra

  1. Swift heavy ion-induced modification of Al sub 2 O sub 3 and MgO surfaces

    CERN Document Server

    Skuratov, V A; Efimov, A E; Havancsak, K

    2003-01-01

    Surface topography changes in single-crystal alumina and magnesium oxide samples irradiated with 245 MeV Kr and 128-710 MeV Bi ions have been studied by atomic force microscopy. The surface response consists of nanoscale hillock-like defects associated with single ion impact. These defects are observed on the surfaces of Al sub 2 O sub 3 and MgO targets at ionizing energy loss values of about 25 and 15.8 keV/nm, respectively, which is less than the expected threshold values of amorphous latent track formation in these materials. Corresponding electron diffraction and high-resolution transmission electron microscopy studies show no evidence of an amorphous core of the ion track in sapphire irradiated with Bi ions at surface electronic stopping power of 41 keV/nm. Possible mechanisms of hillocks formation, alternative to crystalline-amorphous phase transition are discussed.

  2. 壳聚糖的结构修饰及其应用%Structural modification and application of chitosan

    Institute of Scientific and Technical Information of China (English)

    张敏; 任慧霞

    2007-01-01

    advancements in the application and modification of chitosan in carboxylation,acylation, alkylation, etherification, etc.RETRTEVE STRATEGY: The relevant articles published in English between 1998 and 2007 were searched for in Pubmed database with the key words of "chitosan, modification", and the relevant articles published between 1998 and 2007 were searched for in Elsevier Science database with the key words "chitosan, modification" and search "derivate" within search results in English. Articles closely related to the structural modification and application of chitosan were involved, and repetitive and old studies were excluded.LTTERATURE EVALUATION: Totally 154 articles were selected, and 30 of them are accorded with the inclusive criteria,including 5 are reviews, and the others are clinical or experimental studies.DATA SYNTHESTS: The intramolecular hydroxy and amino groups in chitosan are mostly modified because they are easy to be chemically modified. Recently, reports lay particular emphasis on the modification in carboxylation, acylation,alkylation, etherification, etc. Functional groups are introduced to improve its solubility and functionality to widen the range of its application.CONCLUSTON: The water-solubility of chitosan can be improved through structural modification and introducing multifunctional group, which can also bring about much more special efficacies.

  3. Structural modifications of GeO2 glass under high pressure and high temperature

    Science.gov (United States)

    Cornet, Antoine; Molherac, Rémy; Champagnon, Bernard; Martinet, Christine

    2016-09-01

    Vitreous GeO2 has been compressed at high temperature to investigate the effect of thermal activation on the structural reorganization during compression. The measurements were performed in-situ using micro Raman spectroscopy under pressure up to 6 GPa and temperature up to 400 °C. The evolution of the Raman shift of the main band (400-500 cm-1) with temperature during compression evidences a pressure window around 3 GPa within which temperature has a remarkable influence on the structure, in particular, the intermediate range order. We find that this change is well correlated with previous ex-situ density measurements from high pressure-high temperature densifications. Moreover, coordination changes from tetrahedrally (GeO4) to octahedrally (GeO6) coordinated GeO2 are accelerated with the heating during the compression.

  4. Modification of spontaneous emission from nanodiamond colour centres on a structured surface

    Energy Technology Data Exchange (ETDEWEB)

    Inam, F A; Gaebel, T; Bradac, C; Withford, M J; Rabeau, J R; Steel, M J [Centre for Quantum Science and Technology, Department of Physics and Astronomy, Macquarie University, Sydney, NSW 2109 (Australia); Stewart, L; Dawes, J M, E-mail: james.rabeau@mq.edu.au, E-mail: michael.steel@mq.edu.au [MQ Photonics Research Centre, Department of Physics and Astronomy, Macquarie University, Sydney, NSW 2109 (Australia)

    2011-07-15

    Colour centres in diamond are promising candidates as a platform for quantum technologies and biomedical imaging based on spins and/or photons. Controlling the emission properties of colour centres in diamond is a key requirement for the development of efficient single-photon sources having high collection efficiency. A number of groups have achieved an enhancement in the emission rate over narrow wavelength ranges by coupling single emitters in nanodiamond crystals to resonant electromagnetic structures. In this paper, we characterize in detail the spontaneous emission rates of nitrogen-vacancy centres at various locations on a structured substrate. We found a factor of 1.5 average enhancement of the total emission rate when nanodiamonds are on an opal photonic crystal surface, and observed changes in the lifetime distribution. We present a model for explaining these observations and associate the lifetime properties with dipole orientation and polarization effects.

  5. Magnetic Doppler imaging considering atmospheric structure modifications due to local abundances: a luxury or a necessity?

    CERN Document Server

    Kochukhov, O; Shulyak, D

    2012-01-01

    Magnetic Doppler imaging is currently the most powerful method of interpreting high-resolution spectropolarimetric observations of stars. This technique has revealed the presence of unexpected small-scale magnetic fields on the surfaces of Ap stars. These studies were recently criticisied by Stift et al. (2012), who claimed that magnetic inversions are not robust and are undermined by neglecting a feedback on the Stokes line profiles from the local atmospheric structure in the regions of enhanced metal abundance. We show that Stift et al. misinterpreted published magnetic Doppler imaging results and neglected some of the most fundamental principles behind magnetic mapping. We demonstrate that the variation of atmospheric structure across the surface of a star with chemical spots affects the local continuum intensity but is negligible for the normalised local Stokes profiles. For the disk-integrated spectra of an Ap star with extreme abundance variations, we find that the assumption of a mean model atmosphere ...

  6. Modification of the SOI-like structures by annealing under high hydrostatic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Surma, B.; Misiuk, A.; Haertwig, J.; Wnuk, A.; Bukowski, A.; Antonova, I.V

    2004-01-14

    The effect of enhanced hydrostatic pressure during annealing (HP-HT treatment) on creation/transformation of SiO{sub 2} in silicon implanted with oxygen (Si:O, oxygen doses 1x10{sup 14}-1x10{sup 16} cm{sup -2}) was studied by infrared absorption, photoluminescence and X-ray (synchrotron) methods. The redistribution of oxygen atoms at HP-HT in the Si:O structures, prepared by implantation with low doses (down to 1x10{sup 14} cm{sup -2}) of oxygen ions, leads to generation of separated clusters having the structure of a SiO{sub 2-x} network. Enhanced HP stimulates the creation of these clusters. A qualitative explanation of presented results, stressing the role of vacancies in the process of oxygen atoms agglomeration and the influence of compressive stress on the concentration of vacancies, is proposed.

  7. Graftig Copolymerization of Hydrophilic Monomers Onto Alginate for Modification it,s Structure

    Directory of Open Access Journals (Sweden)

    Mohammad Sadeghi

    2014-03-01

    Full Text Available In this research, we synthesize of a graft copolymer based on alginate via simultaneously graft copolymerization acrylamide (AAm and 2-acrylamido-2-methylpropanesulfonic acid (AMPS onto alginate backbones. The polymerization reaction was carried out in an aqueous medium and in the presence of ammonium persulfate (APS as an initiator. Infrared spectroscopy and TGA thermal analysis were carried out to confirm the chemical structure of the copolymer. A proposed mechanism for hydrogel formation was suggested.

  8. Modification of the structural and electronic properties of graphene by the benzene molecule adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Krasnenko, Veera, E-mail: veera.krasnenko@ut.ee [University of Tartu, Institute of Physics, Riia 142, Tartu (Estonia); Kikas, Jaak; Brik, Mikhail G. [University of Tartu, Institute of Physics, Riia 142, Tartu (Estonia)

    2012-12-01

    A survey of the literature data on the adsorption of benzene on graphene or carbon nanotubes indicates that the distance between the graphene sheet and benzene molecule is determined from weak van der Waals forces ({approx}3.40 Angstrom-Sign ). In our theoretical study, it was found that the benzene/graphene structure (in a specific configuration with carbon atoms located at the atop positions, stacked directly on the top of each other) forms strong covalent bonds, if the distance between the graphene and benzene is about 1.60 Angstrom-Sign . Such a short distance corresponds to about a half of the usual separation between the graphite layers. It was also shown that at such a short distance the carbon atoms of the benzene molecule move towards the graphene sheet, whereas the hydrogen atoms move in a different direction, thus breaking the benzene planar structure. In addition to the structural optimization, the calculated electronic and optical properties (significantly modified by the adsorbed benzene molecule) are presented as well.

  9. Pore structure modification of cement concretes by impregnation with sulfur-containing compounds

    Directory of Open Access Journals (Sweden)

    YANAKHMETOV Marat Rafisovich

    2015-02-01

    Full Text Available The authors study how the impregnation with sulfur-containing compounds changes the concrete pore structure and how it influences on the water absorption and watertightness. The results of this research indicate that impregnation of cement concrete with water-based solution of polysulphide modifies pore structure of cement concrete in such a way that it decreases total and effective porosity, reduces water absorption and increases watertightness. The proposed impregnation based on mineral helps to protect for a long time the most vulnerable parts of buildings – basements, foundations, as well as places on the facades of buildings exposed to rain, snow and groundwater. Application of the new product in the construction industry can increase the durability of materials, preventing the destruction processes caused by weathering, remove excess moisture in damp basements. The surfaces treated by protective compounds acquire antisoiling properties for a long time, and due to reduced thermal conductivity the cost of heating buildings is decreased. The effectiveness of the actions and the relatively low cost of proposed hydrophobizator makes it possible to spread widely the proposed protection method for building structures.

  10. Benzo(a)pyrene induced structural and functional modifications in lung cystatin.

    Science.gov (United States)

    Khan, Mohd Shahnawaz; Priyadarshini, Medha; Shah, Aaliya; Tabrez, Shams; Jagirdar, Haseeb; Alsenaidy, Abdulrahman M; Bano, Bilqees

    2013-10-01

    Cystatins are thiol proteinase inhibitors ubiquitously present in the mammalian body. They serve a protective function to regulate the activities of endogenous proteinases, which may cause uncontrolled proteolysis and damage. In the present study, the effect of benzo(a)pyrene [BaP] on lung cystatin was studied to explore the hazardous effects of environmental pollutant on structural and functional integrity of the protein. The basic binding interaction was studied by UV-absorption, FT-IR, and fluorescence spectroscopy. The enhancement of total protein fluorescence with a red shift of 5 nm suggests structural scratch of lung cystatin by benzo(a)pyrene. Further, ANS binding studies reaffirm the unfolding of the thiol protease inhibitor (GLC-I) after treating with benzo(a)pyrene. The results of FT-IR spectroscopy reflect perturbation of the secondary conformation (alpha-helix to β-sheet) in goat lung cystatin on interaction with BaP. Finally, functional inactivation of cystatin on association with BaP was checked by its papain inhibitory activity. Benzo(a)pyrene (10 μM) caused complete inactivation of goat lung cystatin. Benzo(a)pyrene-induced loss of structure and function in the thiol protease inhibitor could provide a caution for lung injury caused by the pollutants and smokers.

  11. Modifications in Structural, Electrical, Electronic and Mechanical Properties of Titanium Thin Films under different Gas Plasmas

    Science.gov (United States)

    Singh, Omveer; Dahiya, Raj P.; Malik, Hitendra K.

    2015-09-01

    In the recent past, Titanium thin films can be grown over different substrates such as silicon, glass and quartz by using versatile deposition techniques DC, RF sputtering, electronic beam and thermal evaporation etc. The grown films are then exposed in different gas environments for individual application. It has been found that Titanium nitride exhibits good chemical stability, mechanical and electrical properties. To investigate these properties in titanium nitride thin films, we have developed a new approach hot cathode arc discharge plasma system. By using this technique, we can measure plasma and nitriding parameters independently. In the present work, we have investigated gases mixture (Nitrogen, Argon and Hydrogen) effect on the structural, mechanical, electrical and electronic properties in plasma system. We have used 100% N2, 50% N2 + 50% Ar and 50% N2 + 50% H2 gases ratio for plasma nitriding. Structural and electronic structure properties are measured from X-ray diffractions (XRD) and X-ray photoelectron spectroscopy (XPS) respectively. The surface morphology of these films were measured using Atomic Force Microscopy (AFM) and the nano-indentation mode is used to find out the hardness of the samples. Government of India.

  12. Magnetic Doppler imaging considering atmospheric structure modifications due to local abundances: a luxury or a necessity?

    Science.gov (United States)

    Kochukhov, O.; Wade, G. A.; Shulyak, D.

    2012-04-01

    Magnetic Doppler imaging is currently the most powerful method of interpreting high-resolution spectropolarimetric observations of stars. This technique has provided the very first maps of stellar magnetic field topologies reconstructed from time series of full Stokes vector spectra, revealing the presence of small-scale magnetic fields on the surfaces of Ap stars. These studies were recently criticised by Stift et al., who claimed that magnetic inversions are not robust and are seriously undermined by neglecting a feedback on the Stokes line profiles from the local atmospheric structure in the regions of enhanced metal abundance. We show that Stift et al. misinterpreted published magnetic Doppler imaging results and consistently neglected some of the most fundamental principles behind magnetic mapping. Using state-of-the-art opacity sampling model atmosphere and polarized radiative transfer codes, we demonstrate that the variation of atmospheric structure across the surface of a star with chemical spots affects the local continuum intensity but is negligible for the normalized local Stokes profiles except for the rare situation of a very strong line in an extremely Fe-rich atmosphere. For the disc-integrated spectra of an Ap star with extreme abundance variations, we find that the assumption of a mean model atmosphere leads to moderate errors in Stokes I but is negligible for the circular and linear polarization spectra. Employing a new magnetic inversion code, which incorporates the horizontal variation of atmospheric structure induced by chemical spots, we reconstructed new maps of magnetic field and Fe abundance for the bright Ap star α2 CVn. The resulting distribution of chemical spots changes insignificantly compared to the previous modelling based on a single model atmosphere, while the magnetic field geometry does not change at all. This shows that the assertions by Stift et al. are exaggerated as a consequence of unreasonable assumptions and

  13. Modification of the optical and structural properties of ZnO nanowires by low-energy Ar+ ion sputtering

    Science.gov (United States)

    Allah, Rabie Fath; Ben, Teresa; González, David; Hortelano, Vanesa; Martínez, Oscar; Plaza, Jose Luis

    2013-04-01

    The effects of low-energy (≤2 kV) Ar+ irradiation on the optical and structural properties of zinc oxide (ZnO) nanowires (NWs) grown by a simple and cost-effective low-temperature technique were investigated. Both photoluminescence spectra from ZnO NW-coated films and cathodoluminescence analysis of individual ZnO NWs demonstrated obvious evidences of ultraviolet/visible luminescent enhancement with respect to irradiation fluence. Annihilation of the thinner ZnO NWs after the ion bombardment was appreciated by means of high-resolution scanning electron microscopy and transmission electron microscopy (TEM), which results in an increasing NW mean diameter for increasing irradiation fluences. Corresponding structural analysis by TEM pointed out not only significant changes in the morphology but also in the microstructure of these NWs, revealing certain radiation-sensitive behavior. The possible mechanisms accounting for the decrease of the deep-level emissions in the NWs with the increasing irradiation fluences are discussed according to their structural modifications.

  14. Strain-induced modification of magnetic structure and new magnetic phases in rare-earth epitaxial films

    Indian Academy of Sciences (India)

    C Dufour; K Dumesnil; Ph Mangin

    2006-07-01

    Rare earths exhibit complex magnetic phase diagrams resulting from the competition between various contributions to the magnetic energy: exchange, anisotropy and magnetostriction. The epitaxy of a rare-earth film on a substrate induces (i) a clamping to the substrate and (ii) pseudomorphic strains. Both these effects are shown to lead to modifications of the magnetic properties in (0 0 1)Dy, (0 0 1)Tb and (1 1 0)Eu films. In Dy and Tb films, spectacular variations of the Curie temperature have been evidenced. Additionally, Tb films exhibit a new large wavelength magnetic modulation. In Eu films, one of the helical magnetic domains disappears at low temperature whereas the propagation vectors of the other helices are tilted. The link between structural and magnetic properties is underlined via magnetoelastic models. Moreover, molecular beam epitaxy permits the growth of Sm in a metastable dhcp phase. The magnetic structure of dhcp Sm has been elucidated for the first time. In this review, neutron scattering is shown to be a powerful technique to reveal the magnetic structures of rare-earth films.

  15. Effect of ion irradiation on the surface, structural and mechanical properties of brass

    Science.gov (United States)

    Ahmad, Shahbaz; Bashir, Shazia; Ali, Nisar; Umm-i-Kalsoom; Yousaf, Daniel; Faizan-ul-Haq; Naeem, Athar; Ahmad, Riaz; Khlaeeq-ur-Rahman, M.

    2014-04-01

    Modifications to the surface, structural and mechanical properties of brass after ion irradiation have been investigated. Brass targets were bombarded by carbon ions of 2 MeV energy from a Pelletron linear accelerator for various fluences ranging from 56 × 1012 to 26 × 1013 ions/cm2. A scanning electron microscope and X-ray diffractometer were utilized to analyze the surface morphology and crystallographic structure respectively. To explore the mechanical properties e.g., yield stress, ultimate tensile strength and microhardness of irradiated brass, an universal tensile testing machine and Vickers microhardness tester were used. Scanning electron microscopy results revealed an irregular and randomly distributed sputter morphology for a lower ion fluence. With increasing ion fluence, the incoherently shaped structures were transformed into dendritic structures. Nano/micro sized craters and voids, along with the appearance of pits, were observed at the maximum ion fluence. From X-ray diffraction results, no new phases were observed to be formed in the brass upon irradiation. However, a change in the peak intensity and higher and lower angle shifting were observed, which represents the generation of ion-induced defects and stresses. Analyses confirmed modifications in the mechanical properties of irradiated brass. The yield stress, ultimate tensile strength and hardness initially decreased and then increased with increasing ion fluence. The changes in the mechanical properties of irradiated brass are well correlated with surface and crystallographic modifications and are attributed to the generation, augmentation, recombination and annihilation of the ion-induced defects.

  16. Structural Modifications of Fructans in Aloe barbadensis Miller (Aloe Vera Grown under Water Stress.

    Directory of Open Access Journals (Sweden)

    Carlos Salinas

    Full Text Available Aloe barbadensis Miller (Aloe vera has a Crassulaceae acid metabolism which grants the plant great tolerance to water restrictions. Carbohydrates such as acemannans and fructans are among the molecules responsible for tolerating water deficit in other plant species. Nevertheless, fructans, which are prebiotic compounds, have not been described nor studied in Aloe vera, whose leaf gel is known to possess beneficial pharmaceutical, nutritional and cosmetic properties. As Aloe vera is frequently cultivated in semi-arid conditions, like those found in northern Chile, we investigated the effect of water deficit on fructan composition and structure. For this, plants were subjected to different irrigation regimes of 100%, 75%, 50% and 25% field capacity (FC. There was a significant increase in the total sugars, soluble sugars and oligo and polyfructans in plants subjected to water deficit, compared to the control condition (100% FC in both leaf tips and bases. The amounts of fructans were also greater in the bases compared to the leaf tips in all water treatments. Fructans also increase in degree of polymerization with increasing water deficit. Glycosidic linkage analyses by GC-MS, led to the conclusion that there are structural differences between the fructans present in the leaves of control plants with respect to plants irrigated with 50% and 25% FC. Therefore, in non-stressed plants, the inulin, neo-inulin and neo-levan type of fructans predominate, while in the most stressful conditions for the plant, Aloe vera also synthesizes fructans with a more branched structure, the neofructans. To our knowledge, the synthesis and the protective role of neo-fructans under extreme water deficit has not been previously reported.

  17. Structural Modifications of Fructans in Aloe barbadensis Miller (Aloe Vera) Grown under Water Stress

    Science.gov (United States)

    Salinas, Carlos; Cardemil, Liliana

    2016-01-01

    Aloe barbadensis Miller (Aloe vera) has a Crassulaceae acid metabolism which grants the plant great tolerance to water restrictions. Carbohydrates such as acemannans and fructans are among the molecules responsible for tolerating water deficit in other plant species. Nevertheless, fructans, which are prebiotic compounds, have not been described nor studied in Aloe vera, whose leaf gel is known to possess beneficial pharmaceutical, nutritional and cosmetic properties. As Aloe vera is frequently cultivated in semi-arid conditions, like those found in northern Chile, we investigated the effect of water deficit on fructan composition and structure. For this, plants were subjected to different irrigation regimes of 100%, 75%, 50% and 25% field capacity (FC). There was a significant increase in the total sugars, soluble sugars and oligo and polyfructans in plants subjected to water deficit, compared to the control condition (100% FC) in both leaf tips and bases. The amounts of fructans were also greater in the bases compared to the leaf tips in all water treatments. Fructans also increase in degree of polymerization with increasing water deficit. Glycosidic linkage analyses by GC-MS, led to the conclusion that there are structural differences between the fructans present in the leaves of control plants with respect to plants irrigated with 50% and 25% FC. Therefore, in non-stressed plants, the inulin, neo-inulin and neo-levan type of fructans predominate, while in the most stressful conditions for the plant, Aloe vera also synthesizes fructans with a more branched structure, the neofructans. To our knowledge, the synthesis and the protective role of neo-fructans under extreme water deficit has not been previously reported. PMID:27454873

  18. Structural Modifications of Fructans in Aloe barbadensis Miller (Aloe Vera) Grown under Water Stress.

    Science.gov (United States)

    Salinas, Carlos; Handford, Michael; Pauly, Markus; Dupree, Paul; Cardemil, Liliana

    2016-01-01

    Aloe barbadensis Miller (Aloe vera) has a Crassulaceae acid metabolism which grants the plant great tolerance to water restrictions. Carbohydrates such as acemannans and fructans are among the molecules responsible for tolerating water deficit in other plant species. Nevertheless, fructans, which are prebiotic compounds, have not been described nor studied in Aloe vera, whose leaf gel is known to possess beneficial pharmaceutical, nutritional and cosmetic properties. As Aloe vera is frequently cultivated in semi-arid conditions, like those found in northern Chile, we investigated the effect of water deficit on fructan composition and structure. For this, plants were subjected to different irrigation regimes of 100%, 75%, 50% and 25% field capacity (FC). There was a significant increase in the total sugars, soluble sugars and oligo and polyfructans in plants subjected to water deficit, compared to the control condition (100% FC) in both leaf tips and bases. The amounts of fructans were also greater in the bases compared to the leaf tips in all water treatments. Fructans also increase in degree of polymerization with increasing water deficit. Glycosidic linkage analyses by GC-MS, led to the conclusion that there are structural differences between the fructans present in the leaves of control plants with respect to plants irrigated with 50% and 25% FC. Therefore, in non-stressed plants, the inulin, neo-inulin and neo-levan type of fructans predominate, while in the most stressful conditions for the plant, Aloe vera also synthesizes fructans with a more branched structure, the neofructans. To our knowledge, the synthesis and the protective role of neo-fructans under extreme water deficit has not been previously reported.

  19. Probing the Subtle Structure Modifications of Thermoelectric Materials by Variable Temperature Total Scattering

    DEFF Research Database (Denmark)

    Reardon, Hazel; Iversen, Bo Brummerstedt; Blichfeld, Anders Bank

    data collected over a number of years on Ba8Ga16Ge30 (BGG), where numerous samples have been prepared in-house using various synthesis methods. This led to a comprehensive thermal stability study of clathrate powders, where PXRD revealed amorphous components in the samples treated at high temperature...... in air. PDF measurements were performed on data collected from ex situ annealed BGG samples. This ex situ study (to be submitted), reveals that the seemingly subtle change in the clathrate structure and the emergence of a significant amorphous phase observed from PXRD data is likely to be the result...

  20. The Structural and Strength Changes Resulting from Modification of Heat Treatment of High Carbon Steel

    Directory of Open Access Journals (Sweden)

    Grygier D.

    2016-06-01

    Full Text Available Pearlitic steels containing from some 0,8 to 0,95% C belong to the group of unalloyed steels intended for cold drawing or rolling. One of the problems discussed in literature is cracking of pearlitic steel subjected to plastic working, caused by high brittleness of the lamellar precipitations of hard cementite. This issue is extremely important because it affects significantly reduce fatigue strength. The paper presents proposals to modify the process of heat treatment, results in getting a steel with spheroidal structure characterized by better plastic properties, in order to eliminate this problem.

  1. Structure-modification and oil pick-up ability of PHBV as oil sorbent materials

    Institute of Scientific and Technical Information of China (English)

    Xuwen He; Dayi Qian; Bing Wu; Tong Wang

    2003-01-01

    The PHBV (β-hydroxybutyrate-co-β-hydroxyvalerate) foams as oil sorbent materials, which were prepared by salting out method based on PHBV and chloroform additive and their oil pick-up abilities were investigated. And the oil pick-up abilities of different PHBV foams as oil sorbent materials were compared. The results show that with the amount of chloroform additive and sodium chloride increasing, the oil pick-up rates, the oil-keeping rates and the second oil pick-up rates of PHBV foams can increase to different extent. When the amount of sodium chloride was 92%, the ratio of PHBV to chloroform was 1 (g): 14 (mL), the oil pick-up ability of the PHBV foam was optimal. And their oil pick-up ratios can reach 25.51 (26℃) and 27.51 g/g (17℃) in raw oil, which were 4-5 times more than those of PHBV powder. In addition, the structure-modified PHBV as oil sorbent materials also has some advantages, such as three-dimension structure, bio-degradability and good oil pick-up ability, so this kind of green oil sorbent materials will have great perspective in the future.

  2. Pulsed modification of germanium films on silicon, sapphire, and quartz substrates: Structure and optical properties

    Energy Technology Data Exchange (ETDEWEB)

    Novikov, H. A.; Batalov, R. I., E-mail: batalov@kfti.knc.ru; Bayazitov, R. M.; Faizrakhmanov, I. A.; Lyadov, N. M.; Shustov, V. A. [Russian Academy of Sciences, Zavoiskii Physical Technical Institute, Kazan Scientific Center (Russian Federation); Galkin, K. N.; Galkin, N. G.; Chernev, I. M. [Russian Academy of Sciences, Institute of Automation and Control Processes, Far-East Branch (Russian Federation); Ivlev, G. D.; Prokop’ev, S. L.; Gaiduk, P. I. [Belarussian State University (Belarus)

    2015-06-15

    The structural and optical properties of thin Ge films deposited onto semiconducting and insulating substrates and modified by pulsed laser radiation are studied. The films are deposited by the sputtering of a Ge target with a low-energy Xe{sup +} ion beam. Crystallization of the films is conducted by their exposure to nanosecond ruby laser radiation pulses (λ = 0.694 μm) with the energy density W = 0.2−1.4 J cm{sup −2}. During pulsed laser treatment, the irradiated area is probed with quasi-cw (quasi-continuous-wave) laser radiation (λ = 0.532 and 1.064 μm), with the reflectance recorded R(t). Experimental data on the lifetime of the Ge melt are compared with the results of calculation, and good agreement between them is demonstrated. Through the use of a number of techniques, the dependences of the composition of the films, their crystal structure, the level of strains, and the reflectance and transmittance on the conditions of deposition and annealing are established.

  3. Modification Of The Manufacturing Process Of A Composite Structure- From System Needs To Elementary Tests

    Science.gov (United States)

    Touzard, Jerome; Veilleraud, Frederic; Collias, Michael

    2012-07-01

    The SYLDA5 structure (SYstème de Lancement Double Ariane 5 - Ariane 5 dual launch system) is a lightweight carbon composite structure designed and manufactured by Astrium Space Transportation at Les Mureaux premises. In order to improve the manufacturing process of t he SYLDA5, a proposal was made by SYLDA5 technical team to change the manufacturing process of the composite sandwich parts. The SYLDA5 is however one of the main contributors in the dynamic behaviour of the upper part of Ariane 5 launcher and plays an important role in the qualification of the launcher. The present paper describes the overall qualification logic retained, from System requirements to material tests and to global System qualification, in a classical V- type design cycle. It demonstrates the necessity to take into account System needs when modifying a part of it, especially when the System is qualified with actual characteristics of t he parts that may not be defined in product’s initial requirements.

  4. Protein Adsorption to Surface Chemistry and Crystal Structure Modification of Titanium Surfaces

    Directory of Open Access Journals (Sweden)

    Ryo Jimbo

    2010-07-01

    Full Text Available Objectives: To observe the early adsorption of extracellular matrix and blood plasma proteins to magnesium-incorporated titanium oxide surfaces, which has shown superior bone response in animal models.Material and Methods: Commercially pure titanium discs were blasted with titanium dioxide (TiO2 particles (control, and for the test group, TiO2 blasted discs were further processed with a micro-arc oxidation method (test. Surface morphology was investigated by scanning electron microscopy, surface topography by optic interferometry, characterization by X-ray photoelectron spectroscopy (XPS, and by X-ray diffraction (XRD analysis. The adsorption of 3 different proteins (fibronectin, albumin, and collagen type I was investigated by an immunoblotting technique.Results: The test surface showed a porous structure, whereas the control surface showed a typical TiO2 blasted structure. XPS data revealed magnesium-incorporation to the anodic oxide film of the surface. There was no difference in surface roughness between the control and test surfaces. For the protein adsorption test, the amount of albumin was significantly higher on the control surface whereas the amount of fibronectin was significantly higher on the test surface. Although there was no significant difference, the test surface had a tendency to adsorb more collagen type I.Conclusions: The magnesium-incorporated anodized surface showed significantly higher fibronectin adsorption and lower albumin adsorption than the blasted surface. These results may be one of the reasons for the excellent bone response previously observed in animal studies.

  5. Impact of lanthanum on the modification of HfO2 films structure

    Institute of Scientific and Technical Information of China (English)

    T. P. Smirnova; L.V. Yakovkina; V.O. Borisov

    2015-01-01

    LaxHf1–xOy thin films with various concentrations of La, homogeneous and nonhomogeneous distributions of elements throughout the films thickness was purposefully grown by CVD. The composition of the films and their chemical structures were characterized throughout the films thickness by X-ray photoelectron spectroscopy (XPS) and energy-dispersive X-ray spectrometry (EDXA). A full picture of the film crystallinity was provided by the combination of grazing incidence X-ray diffraction (GIXRD) synchrotron radiation (SR) and high resolution transmission electron microscopy (HR TEM). It was shown that La acted as “molar volume modulator” and stabilized the nonequilibrium atT≤1300 °C cubic phases. The samples with La content in range of 7 at.%structure. The pyrochlore phase formation was observed at ~18 at.% La content. The correlation between the La-doped content and the films microstructure was revealed.

  6. Modification of chimeric (2S, 3S)-butanediol dehydrogenase based on structural information.

    Science.gov (United States)

    Shimegi, Tomohito; Mochizuki, Kaito; Oyama, Takuji; Ohtsuki, Takashi; Kusunoki, Masami; Ui, Sadaharu

    2014-01-01

    A chimeric (2S, 3S)-butanediol dehydrogenase (cLBDH) was engineered to have the strict (S)-configuration specificity of the (2S, 3S)-BDH (BsLBDH) derived from Brevibacterium saccharolyticum as well as the enzymatic stability of the (2R, 3S)-BDH (KpMBDH) from Klebsiella pneumonia by swapping the domains of two native BDHs. However, while cLBDH possesses the stability, it lacks the specificity. In order to assist in the design a BDH having strict substrate specificity, an X-ray structural analysis of a cLBDH crystal was conducted at 1.58 Å. The results obtained show some readily apparent differences around the active sites of cLBDH and BsLBDH. Based on this structural information, a novel (2S, 3S)-BDH having a preferred specificity was developed by introducing a V254L mutation into cLBDH. The influence of this mutation on the stability of cLBDH was not evaluated. Nevertheless, the technique described herein is an effective method for the production of a tailor-made BDH.

  7. Structural modifications to enhance the exciton diffusion in bilayer porphyrin fullerene thin films

    Science.gov (United States)

    Kaushal, Meesha; Srinivasamurthy, Praveen; Walter, Michael G.

    2016-09-01

    The effects of peripheral alkyl groups and thermal annealing on the exciton quenching efficiency in bilayer porphyrinfullerene thin films has been investigated. The thin film UV-vis absorbance spectra, steady-state fluorescence emission, and thermal properties of three carboalkoxyphenyl porphyrin derivatives have been studied: tetra(4-carbohexoxyphenyl)porphyrin (TCH4PP), tetra(4-carbo-2-ethylhexoxyphenyl)porphyrin (TCEH4PP), and tetra(4-carbooctoxyphenyl)-porphyrin (TCO4PP). The quenching efficiencies of these three derivatives have been calculated from their steady-state emission using pristine spin cast films and films with an evaporated C60 bilayer. Structural analyses have been performed using X-ray diffraction (XRD), UV-vis spectroscopy, and thermal properties were studied using differential scanning calorimetry measurements (DSC). Annealing the films caused significant structural changes as was observed in the UV-vis absorbance spectra and XRD diffraction patterns. Prior to thermal annealing, quenching efficiencies are greatest for the TCH4PP and TCO4PP (hexyl and octyl derivatives), which is in agreement with previous bulk quenching experiments to calculate exciton diffusion lengths.1 After annealing, the hexyl derivative (TCH4PP) showed the lowest bilayer quenching efficiency and indicated evidence of significant molecular rearrangements.

  8. Structural and surface modifications of carbon nanotubes when submitted to high temperature annealing treatments

    Energy Technology Data Exchange (ETDEWEB)

    Castillejos, E. [Instituto de Catalisis y Petroleoquimica, ICP-CSIC, Campus de Cantoblanco, 28046 Madrid (Spain); Bachiller-Baeza, B. [Instituto de Catalisis y Petroleoquimica, ICP-CSIC, Campus de Cantoblanco, 28046 Madrid (Spain); Unidad Asociada UNED/ICP-CSIC Group for Molecular Design of Heterogeneous Catalysts, Madrid (Spain); Perez-Cadenas, M.; Gallegos-Suarez, E. [Dpto. de Quimica Inorganica y Tecnica, UNED, 28040 Madrid (Spain); Rodriguez-Ramos, I. [Instituto de Catalisis y Petroleoquimica, ICP-CSIC, Campus de Cantoblanco, 28046 Madrid (Spain); Unidad Asociada UNED/ICP-CSIC Group for Molecular Design of Heterogeneous Catalysts, Madrid (Spain); Guerrero-Ruiz, A. [Unidad Asociada UNED/ICP-CSIC Group for Molecular Design of Heterogeneous Catalysts, Madrid (Spain); Dpto. de Quimica Inorganica y Tecnica, UNED, 28040 Madrid (Spain); Tamargo-Martinez, K., E-mail: katia@incar.csic.es [Instituto Nacional del Carbon, INCAR-CSIC, Apartado 73, 33080 Oviedo (Spain); Martinez-Alonso, A.; Tascon, J.M.D. [Instituto Nacional del Carbon, INCAR-CSIC, Apartado 73, 33080 Oviedo (Spain)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer Multiwall carbon nanotubes (MWCNTs), pristine and heat-treated at 2873 K, were comparatively characterized using HRTEM, SEM, nitrogen adsorption, Raman spectroscopy and immersion calorimetry. Black-Right-Pointing-Pointer Annealing at 2873 K produced removal of amorphous phases, ordering of graphene layers and structural changes inside the cylindrical mesopores. Black-Right-Pointing-Pointer Immersion enthalpies in organic liquids indicated the existence of specific {pi}-{pi} electronic interactions between aromatic molecules and the surface of heat-treated MWCNTs. - Abstract: Multiwall carbon nanotubes (MWCNTs) were synthesized using a chemical vapour deposition procedure using acetylene as source of carbon, iron pentacarbonyl as catalyst and an inert carrier gas. An aliquot of these MWCNTs was heat-treated at 2873 K under inert atmosphere (Ar). The two carbon nanotube samples where characterized using high-resolution transmission electron microscopy (HRTEM), scanning electron microscopy, nitrogen adsorption at 77 K, Raman spectroscopy, and immersion calorimetry in toluene, methanol and methylcyclohexane. HRTEM images confirmed that high-temperature treatment removed amorphous carbon, the graphene layers being better graphitized, and also some structural changes inside the cylindrical mesopores took place. Immersion enthalpies in toluene, in which molecules are present as aromatic functions, indicated the existence of specific {pi}-{pi} electronic interactions between such molecules and the surface of heat-treated MWCNTs.

  9. Experimental evaluation of the pressure and temperature dependence of ion-induced nucleation.

    Science.gov (United States)

    Munir, Muhammad Miftahul; Suhendi, Asep; Ogi, Takashi; Iskandar, Ferry; Okuyama, Kikuo

    2010-09-28

    An experimental system for the study of ion-induced nucleation in a SO(2)/H(2)O/N(2) gas mixture was developed, employing a soft x-ray at different pressure and temperature levels. The difficulties associated with these experiments included the changes in physical properties of the gas mixture when temperature and pressure were varied. Changes in the relative humidity (RH) as a function of pressure and temperature also had a significant effect on the different behaviors of the mobility distributions of particles. In order to accomplish reliable measurement and minimize uncertainties, an integrated on-line control system was utilized. As the pressure decreased in a range of 500-980 hPa, the peak concentration of both ions and nanometer-sized particles decreased, which suggests that higher pressure tended to enhance the growth of particles nucleated by ion-induced nucleation. Moreover, the modal diameters of the measured particle size distributions showed a systematic shift to larger sizes with increasing pressure. However, in the temperature range of 5-20 °C, temperature increases had no significant effects on the mobility distribution of particles. The effects of residence time, RH (7%-70%), and SO(2) concentration (0.08-6.7 ppm) on ion-induced nucleation were also systematically investigated. The results show that the nucleation and growth were significantly dependent on the residence time, RH, and SO(2) concentration, which is in agreement with both a previous model and previous observations. This research will be inevitable for a better understanding of the role of ions in an atmospheric nucleation mechanism.

  10. Multifunctional Pt(II) Reagents: Covalent Modifications of Pt Complexes Enable Diverse Structural Variation and In-Cell Detection.

    Science.gov (United States)

    White, Jonathan D; Haley, Michael M; DeRose, Victoria J

    2016-01-19

    Pt(II)-neutral complex analogous in structure to the aforementioned difunctional azide-Pt(II) reagent. In all cases, significant accumulation of Pt in the nucleolus of cells was observed, in addition to broader localization in the nucleus and cytoplasm of the cell. Using the same strategy of postbinding click modification with fluorescent probes, Pt adducts were detected and roughly quantified on rRNA and tRNA from Pt-treated Saccharomyces cerevisiae; rRNA adducts were found to be relatively long-lived and not targeted for immediate degradation. Finally, the utility and feasibility of the alkyne-appended Pt(II) compound has been further demonstrated with a turn-on fluorophore, dansyl azide, in fluorescent detection of DNA in vitro. In all, these modifications utilizing reactive handles have allowed for the diversification of new Pt reagents, as well as providing cellular localization information on the modified Pt compounds.

  11. Novel highly potent serotonin 5-HT7 receptor ligands: structural modifications to improve pharmacokinetic properties.

    Science.gov (United States)

    Lacivita, Enza; Di Pilato, Pantaleo; Stama, Madia Letizia; Colabufo, Nicola Antonio; Berardi, Francesco; Perrone, Roberto; De Filippis, Bianca; Laviola, Giovanni; Adriani, Walter; Niso, Mauro; Leopoldo, Marcello

    2013-11-15

    Here we report the synthesis, pharmacological and pharmacokinetic evaluation of a pilot set of compounds structurally related to the potent and selective 5-HT7 ligand LP-211. Among the studied compounds, N-pyridin-3-ylmethyl-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]propanamide (4b) showed high affinity for 5-HT7 receptors (K(i)=23.8 nM), selectivity over 5-HT1A receptors (>50-fold), in vitro metabolic stability (82%) and weak interaction with P-glycoprotein (BA/AB=3.3). Compound 4b was injected ip in mice to preliminarily evaluate its distribution between blood and brain.

  12. Nuclear medium modification of the F{sub 2}(x,Q{sup 2}) structure function

    Energy Technology Data Exchange (ETDEWEB)

    Sajjad Athar, M., E-mail: sajathar@gmail.co [Department of Physics, Aligarh Muslim University, Aligarh 202 002 (India); Ruiz Simo, I.; Vicente Vacas, M.J. [Departamento de Fisica Teorica and IFIC, Centro Mixto Universidad de Valencia - CSIC, 46100 Burjassot (Valencia) (Spain)

    2011-05-01

    We study the nuclear effects in the electromagnetic structure function F{sub 2}(x,Q{sup 2}) in the deep inelastic lepton-nucleus scattering process by taking into account Fermi motion, binding, pion and rho meson cloud contributions. Calculations have been done in a local density approximation using relativistic nuclear spectral functions which include nucleon correlations. The ratios R{sub F}{sub 2}{sup A}(x,Q{sup 2})=(2F{sub 2}{sup A}(x,Q{sup 2}))/(AF{sub 2}{sup D}(x,Q{sup 2})) are obtained and compared with recent JLab results for light nuclei with special attention to the slope of the x distributions. This magnitude shows a non-trivial A dependence and it is insensitive to possible normalization uncertainties. The results have also been compared with some of the older experiments using intermediate mass nuclei.

  13. Comparison on structural modification of industrial lignin by wet ball milling and ionic liquid pretreatment

    Directory of Open Access Journals (Sweden)

    Yongshui Qu

    2015-06-01

    Full Text Available As the most abundant aromatic compounds, lignin is still underutilized due to its relatively low quality. In order to improve its quality, two pretreatment technologies, wet ball milling (WBM and ionic liquid pretreatment (ILP were tested on the industrial lignin and evaluated on the average molecular weight and polydispersity, surface morphology, and functional groups changes. The results showed that the lignin pretreated by the WBM with phosphoric acid presented dramatic decrease of polydipersity (23% and increase of phenolic hydroxyl content (9%. While, the ILP treated samples exhibited the significant reduction of the average molecular weight and polydispersity. The decrease on the particle size and the emergence of the porous structure were found when treated with [Emim][OAc]. In addition, the remarkable reduction of the methoxy groups were observed to be 50% and 45% after treated with [Bmim]Cl and [Emim][OAc], respectively.

  14. Composition and structure modification of a WTi/Si system by short laser pulses

    Science.gov (United States)

    Petrović, S.; Gaković, B.; Peruško, D.; Radak, B.; Desai, T.; Kovač, J.; Panjan, P.; Trtica, M.

    2010-03-01

    Picosecond (40 ps) pulsed Nd:YAG laser irradiation of a WTi thin film on silicon with a wavelength of 532 nm and a fluence 2.1 J/cm2 was performed in air. This led to significant changes of the chemical composition and morphology on the surface of the WTi thin film. The results show an increase in surface roughness, due to formation of conical structures, about 50 nm wide in the base, and a very thin oxide layer composed of WO3 and TiO2, with a dominant TiO2 phase at the top, within the depth of about 20 nm. The thickness of the oxide layer was dependent on the number of laser pulses. The samples were analyzed by scanning electron microscopy, atomic force microscopy, and X-ray photoelectron spectroscopy.

  15. Morphological and structural modifications of multiwalled carbon nanotubes by electron beam irradiation

    Science.gov (United States)

    Elsehly, Emad M.; Chechenin, N. G.; Makunin, A. V.; Motaweh, H. A.

    2016-10-01

    Effects of electron beam irradiation on a morphology and structure of multiwalled carbon nanotubes sample in a normal imaging regime of a scanning electron microscope (SEM) were investigated. Direct SEM observations give evidence that irradiation by electron beam in SEM eliminates morphological unevenness, in the form of round spots of white contrast, on the surface of carbon nanotubes (CNTs) and makes the tubes thinner. Electron dispersive analysis and Raman spectroscopy are used to explore the origin and nature of these spots. From this analysis we found that e-beam irradiation improves the CNTs graphitization. The synergy of thermal heating and ionization produced by the irradiation are discussed as possible mechanisms of the observed effects.

  16. Structural and compositional modification of a barium boroaluminosilicate glass surface by thermal poling

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Nicholas J. [The Pennsylvania State University, Department of Material Science and Engineering, Materials Research Institute, University Park, PA (United States); Science and Technology Division, Corning Incorporated, Corning, NY (United States); Pantano, Carlo G. [The Pennsylvania State University, Department of Material Science and Engineering, Materials Research Institute, University Park, PA (United States)

    2014-08-15

    In addition to inducing second-order nonlinear properties, significant structural and compositional alteration can be imparted to glass surfaces during the process of thermal poling. In this work, we focus on how thermal poling affects a structurally complex, nominally alkali-free boroaluminosilicate display glass composition. We provide evidence for electrolysis of the glass network, characterized by the migration of both cations (Ba{sup 2+}, Na{sup +}) and anions (O{sup -}, F{sup -}) towards opposing electrode interfaces. This process results in oxidation of the positively biased electrode and forms a network-former rich, modifier-depleted glass surface layer adjacent to the anodic interface. The modified glass layer thickness is qualitatively correlated to the oxidation resistance of the electrode material, while extrinsic ions such as H{sup +}/H{sub 3}O{sup +} at not found in the depletion layer to compensate for the migration of modifier cations out of the region. Rather, FTIR spectroscopy suggests a local restructuring of the B{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2} network species to accommodate the charge imbalance created by the exodus of network-modifying cations, specifically the conversion of tetrahedral B(4) to trigonal B(3) as Ba or Na ions are removed from B-related sites in the parent network. The resultant poling-induced depletion layer exhibits enhanced hydrolytic resistance under acidic conditions, and the IR spectra are substantially unlike those produced by acid leaching the same glass. (orig.)

  17. Ultrafast laser induced electronic and structural modifications in bulk fused silica

    Science.gov (United States)

    Mishchik, K.; D'Amico, C.; Velpula, P. K.; Mauclair, C.; Boukenter, A.; Ouerdane, Y.; Stoian, R.

    2013-10-01

    Ultrashort laser pulses can modify the inner structure of fused silica, generating refractive index changes varying from soft positive (type I) light guiding forms to negative (type II) values with void presence and anisotropic sub-wavelength modulation. We investigate electronic and structural material changes in the type I to type II transition via coherent and incoherent secondary light emission reflecting free carrier behavior and post-irradiation material relaxation in the index change patterns. Using phase contrast microscopy, photoluminescence, and Raman spectroscopy, we determine in a space-resolved manner defect formation, redistribution and spatial segregation, and glass network reorganization paths in conditions marking the changeover between type I and type II photoinscription regimes. We first show characteristic patterns of second harmonic generation in type I and type II traces, indicating the collective involvement of free carriers and polarization memory. Second, incoherent photoemission from resonantly and non-resonantly excited defect states reveals accumulation of non-bridging oxygen hole centers (NBOHCs) in positive index domains and oxygen deficiency centers (ODCs) with O2- ions segregation in void-like regions and in the nanostructured domains, reflecting the interaction strength. Complementary Raman investigations put into evidence signatures of the different environments where photo-chemical densification (bond rearrangements) and mechanical effects can be indicated. NBOHCs setting in before visible index changes serve as precursors for subsequent compaction build-up, indicating a scenario of cold, defect-assisted densification for the soft type I irradiation regime. Additionally, we observe hydrodynamic effects and severe bond-breaking in type II zones with indications of phase transition. These observations illuminate densification paths in fused silica in low power irradiation regimes, and equally in energetic ranges, characterized by

  18. Laser-assisted structuring and modification of LiCoO2 thin films

    Science.gov (United States)

    Kohler, R.; Proell, J.; Ulrich, S.; Trouillet, V.; Indris, S.; Przybylski, M.; Pfleging, W.

    2009-02-01

    The material development of improved lithium ion batteries will play an important role in future mobile applications and energy storage systems. Electrode materials made of nano-composited materials are expected to improve battery lifetime and will lead to an enhancement of lithium diffusion and thus improve battery capacity and cyclability. In this study, research was conducted to further improve the electrochemical properties of thin film cathodes by increasing the surface to volume ratio and thereby the lithium intercalation rate. Cathode materials were synthesised by r.f. magnetron sputtering of LiCoO2 targets in a pure argon plasma. LiCoO2 films 3 μm thick and with a grain size of 10 to 500 nm were deposited on silicon and stainless steel substrates. The deposition parameters (argon pressure, substrate bias) were varied to create stoichiometric films with controlled nano-crystalline texture and morphology. During laser-assisted surface treatment, cone-shaped periodic surface structures were produced. For this purpose high repetition excimer laser radiation at wavelengths of 193 nm and 248 nm and with short laser pulse widths (4-6 ns) were used. Structure sizes varied with laser and processing parameters, e.g. laser fluences, pulse number, wavelength and processing gas. Laser annealing in air or furnace annealing in a controlled argon/oxygen environment were then used to create the high temperature phase of LiCoO2 (HT-LiCoO2). The sputtered films were studied with Raman spectroscopy, x-ray photoelectron spectroscopy and x-ray diffraction to determine their stoichiometry and crystallinity before and after laser treatment. The development of HT-LiCoO2 and also the formation of a Co3O4 phase were discussed. By means of electrochemical cycling, the performance of the manufactured films was investigated.

  19. Thermally induced structural modifications and O{sub 2} trapping in highly porous silica nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Alessi, A., E-mail: antonino.alessi@unipa.it; Agnello, S.; Iovino, G.; Buscarino, G.; Melodia, E.G.; Cannas, M.; Gelardi, F.M.

    2014-12-15

    In this work we investigate by Raman spectroscopy the effect of isochronal (2 h) thermal treatments in air in the temperature range 200–1000 °C of amorphous silicon dioxide porous nanoparticles with diameters ranging from 5 up to 15 nm and specific surface 590–690 m{sup 2}/g. Our results indicate that the amorphous structure changes similarly to other porous systems previously investigated, in fact superficial SiOH groups are removed, Si–O–Si linkages are created and the ring statistic is modified, furthermore these data evidence that the three membered rings do not contribute significantly to the Raman signal detected at about 495 cm{sup −1}. In addition, after annealing at 900 and 1000 °C we noted the appearance of the O{sub 2} emission at 1272 nm, absent in the not treated samples. The measure of the O{sub 2} emission has been combined with electron paramagnetic resonance measurements of the γ irradiation induced HO{sup ·}{sub 2} radicals to investigate the O{sub 2} content per mass unit of thin layers of silica. Our data reveal that the porous nanoparticles have a much lower ability to trap O{sub 2} molecules per mass units than nonporous silica supporting a model by which O{sub 2} trapping inside a surface layer of about 1 nm of silica is always limited. - Highlights: • O{sub 2} emission and HO{sup ·}{sub 2} electron paramagnetic resonance signals are investigated. • Silica surface ability to trap O{sub 2} molecules is explored by thermal treatments. • Raman study of thermally induced structural changes in porous silica nanoparticles. • Raman signal attributable to the three membered rings in silica.

  20. Structural features of silver-doped phosphate glasses in zone of femtosecond laser-induced modification

    Energy Technology Data Exchange (ETDEWEB)

    Vasileva, A.A., E-mail: anvsilv@gmail.com [Saint-Petersburg State University, Institute of Chemistry, Saint-Petersburg (Russian Federation); Nazarov, I.A. [Saint-Petersburg State University, Department of Physics, Saint-Petersburg (Russian Federation); Olshin, P.K.; Povolotskiy, A.V. [Saint-Petersburg State University, Institute of Chemistry, Saint-Petersburg (Russian Federation); Sokolov, I.A. [St.Petersburg State Polytechnical University, St.Petersburg (Russian Federation); LTD “AtomTjazhMash”, St.Petersburg (Russian Federation); Manshina, A.A. [Saint-Petersburg State University, Institute of Chemistry, Saint-Petersburg (Russian Federation)

    2015-10-15

    Femtosecond (fs) laser writing of two-dimensional microstructures (waveguides) is demonstrated in bulk phosphate glasses doped with silver ions. Silver-content phosphate and silver-content niobium–phosphate glasses with high concentration of silver oxide 55 mol% were used as samples for fs laser writing. The chemical network structure of the synthesized samples is analyzed through Raman spectroscopy and was found to be strongly sensitive to Nb incorporation. It was found that the direct laser writing process enables not only reorganization of glass network, but also formation of color centers and silver nanoparticles that are revealed in appearance of luminescence signal and plasmon absorption. The process of NPs' formation is more efficient for Nb-phosphate glass, while color centers are preferably formed in phosphate glass. - Graphical abstract: Formation of silver NPs on the surface of 0.5Ag{sub 2}O–0.4P{sub 2}O{sub 5}–0,1Nb{sub 2}O{sub 5} glass induced by CW laser irradiation. - Highlights: • The structure of 0.5Ag{sub 2}O–0.1Nb{sub 2}O{sub 5}–0.4P{sub 2}O{sub 5} and 0.55Ag{sub 2}O–0.45P{sub 2}O{sub 5} glasses was investigated by Raman spectroscopy. • Fs laser writing induces formation of silver NPs in investigated glasses. • Surface plasmon resonance in the absorption spectra confirms the formation of NP. • The possibility of CW laser induced formation of silver NPs on the surface of sample with niobium is shown.

  1. Surface Properties of Titanium dioxide and its Structural Modifications by Reactions with Transition Metals

    Science.gov (United States)

    Halpegamage, Sandamali

    polymorph. So far, a reasonable explanation as to why these differences exist was not reported. In our studies, we used high quality epitaxial rutile and anatase thin films which enabled isolating the surface effects from the bulk effects and show that it is the difference between the charge carrier diffusion lengths that causes this difference in activities. In addition to that, using different surface orientations of rutile-TiO 2, we show that the anisotropic bulk charge carrier mobility may contribute to the orientation dependent photoactivity. Moreover, we show that different surface preparation methods also affect the activity of the sample and vacuum reduction results in an enhanced activity. In an effort to modify the TiO2 surfaces with monolayer/mixed monolayer oxides, we carried out experiments on (011) orientation of single crystal rutile TiO2 with few of the selected transition metal oxides namely Fe, V, Cr and Ni. We found that for specific oxidation conditions a monolayer mixed oxide is formed for all M (M= Fe, V, Cr, Ni), with one common structure with the composition MTi2O5. For small amounts of M the surface segregates into pure TiO2(011)-2x1 and into domains of MTi2O5 indicating that this mixed monolayer oxide is a low energy line phase in a compositional surface phase diagram. The oxygen pressure required for the formation of this unique monolayer structure increases in the order of Venthalpy of formation of oxide for these transition metals. The structure proposed for the stable MTi2O5 mixed monolayer oxide by DFT-based simulations was verified by X-ray photoemission diffraction measurements performed at a synchrotron facility.

  2. Enzymatic modification of starch

    DEFF Research Database (Denmark)

    Jensen, Susanne Langgård

    In the food industry approaches for using bioengineering are investigated as alternatives to conventional chemical and physical starch modification techniques in development of starches with specific properties. Enzyme-assisted post-harvest modification is an interesting approach to this, since...... branching connecting larger chain segments. In case of high BE activity this transfer happened prior to hydration and phase separation. The starch substrates thereby became locked in their granular structure and blocked furher access of BE. Transferase-based modification of starch has today almost...... exclusively been conducted on gelatinized starch. This study provides a new concept for transferase-based modification of starches in granular state....

  3. Modifications in structural, cation distribution and magnetic properties of {sup 60}Co gamma irradiated Li-ferrite

    Energy Technology Data Exchange (ETDEWEB)

    Mane, Maheshkumar L. [Department of Physics, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad (M.S.) 431 004 (India); Shirsath, Sagar E., E-mail: shirsathsagar@hotmail.com [Department of Physics, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad (M.S.) 431 004 (India); Dhage, Vinod N.; Jadhav, K.M. [Department of Physics, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad (M.S.) 431 004 (India)

    2011-09-15

    Highlights: {yields} Gamma irradiation induced defects in lithium ferrite. {yields} Modifications in structural and magnetic properties. {yields} Fe{sup 3+} changes to Fe{sup 2+} after gamma irradiation. - Abstract: Polycrystalline samples of Li{sub 0.5}Fe{sub 2.5}O{sub 4} ferrite precursor were prepared by conventional standard double sintering ceramic technique and then irradiated with three different doses of {sup 60}Co gamma rays. The crystal structure and phase orientation of the irradiated and unirradiated samples of Li{sub 0.5}Fe{sub 2.5}O{sub 4} ferrite was done by using X-ray diffraction technique at room temperature. The lattice parameter of the studied samples increased due to the formation of Fe{sup 2+} ions under the ionizing effect of gamma radiation. The strain in the materials due to the irradiation was calculated from XRD data. Scanning electron microscope (SEM) studies indicate that the irradiation causes amorphization, especially at the grain boundaries. The cation distribution was calculated from XRD data analysis. By using cation distribution structural parameters such as theoretical lattice constant, ionic radii of available sites and the oxygen parameter 'u' have been calculated. The estimated cation distribution and other structural parameters shows strong influence of gamma rays on polycrystalline Li-ferrite. The magnetic properties of irradiated and unirradiated lithium ferrite were performed by using pulse field hysteresis loop technique at room temperature. Electrical properties such as diffusion coefficient and dielectric properties were carried out with the influence of gamma irradiation. Activation energy of diffusion process decreased after irradiation. The increase of diffusion coefficient with increasing dose rate of gamma irradiation was reinforced by the increase of Fe{sup 2+} ions and the displacement of metal ions from its original sites under the effect of gamma irradiation.

  4. New catalyst supports prepared by surface modification of graphene- and carbon nanotube structures with nitrogen containing carbon coatings

    Science.gov (United States)

    Oh, Eun-Jin; Hempelmann, Rolf; Nica, Valentin; Radev, Ivan; Natter, Harald

    2017-02-01

    We present a new and facile method for preparation of nitrogen containing carbon coatings (NCC) on the surface of graphene- and carbon nanotubes (CNT), which has an increased electronic conductivity. The modified carbon system can be used as catalyst support for electrocatalytic applications, especially for polymer electrolyte membrane fuel cells (PEMFC). The surface modification is performed by impregnating carbon structures with a nitrogen containing ionic liquid (IL) with a defined C:N ratio, followed by a thermal treatment under ambient conditions. We investigate the influence of the main experimental parameters (IL amount, temperature, substrate morphology) on the formation of the NCC. Additionally, the structure and the chemical composition of the resulting products are analyzed by electron microscopic techniques (SEM, TEM), energy disperse X-ray analysis (EDX), X-ray photoelectron spectroscopy (XPS) and hot extraction analysis. The modified surface has a nitrogen content of 29 wt% which decreases strongly at temperatures above 600 °C. The new catalyst supports are used for the preparation of PEMFC anodes which are characterized by polarization measurements and electrochemical impedance spectroscopy (EIS). Compared to unmodified graphene and CNT samples the electronic conductivity of the modified systems is increased by a factor of 2 and shows improved mass transport properties.

  5. Structural dynamics modification for derrick of deep well drilling rig based on experimental modal test and frequency sensitivity analysis

    Directory of Open Access Journals (Sweden)

    Hua Jian

    2015-09-01

    Full Text Available A statically designed derrick of deep oil well drilling rig may have poor dynamic characteristics, which can cause earlier structure failure of the drilling rig and harsh working condition. One such designed derrick is found to vibrate severely in operation while the rotation speed of rotary table is about 120 r/min with the working frequency of 2.0 Hz. To solve this problem, an experimental modal test of the derrick is conducted and the modal frequencies and vibration shapes are obtained. Through comparison of modal frequencies with that of exciting devices, it is found that the severe vibration of the drilling rig is caused by the resonance of second modal frequency (1.96 Hz and the working frequency of rotary table. Based on principles of sensitivity analysis and structural dynamics modification method, the frequency sensitivities of all nodes on the derrick are calculated and compared, and then seven nodes with high-frequency sensitivity are selected on which corresponding mass are added to vary the modal frequency. Result shows that the second modal frequency of the derrick is reduced to 1.42 Hz and is out of the normal working frequency range of rotary table, which demonstrates that the dynamic characteristics of the derrick is improved and severe vibration can be avoided.

  6. Swift heavy ion irradiated InGaAs/InP multi quantum wells: Band-structure, interface and surface modifications

    Energy Technology Data Exchange (ETDEWEB)

    Dhamodaran, S. [School of Physics, University of Hyderabad, Central University (P.O.), Hyderabad 500 046 (India); Pathak, A.P. [School of Physics, University of Hyderabad, Central University (P.O.), Hyderabad 500 046 (India)], E-mail: appsp@uohyd.ernet.in; Turos, A. [Institute of Electronic Materials Technology, 01-919 Warsaw, ul. Wolczynska 133 (Poland); Soltan Institute of Nuclear Studies, 05-400 Swierk/Otwock (Poland); Saravanan, G Sai [Gallium Arsenide Enabling Technology Centre, Vignyanakancha (P.O.), Hyderabad 500 069 (India); Khan, S.A.; Avasthi, D.K. [Inter University Accelerator Centre, P. O. Box 10502, Aruna Asaf Ali Marg, New Delhi 110 067 (India); Arora, B.M. [Tata Institute of Fundamental Research, Homibhabha Road, Colaba, Mumbai 400 005 (India)

    2008-02-15

    The band-structure, interface and surface modification by swift heavy ion irradiation of In{sub 0.55}Ga{sub 0.45}As/InP multi quantum wells have been studied using photoluminescence, high resolution X-ray diffraction and atomic force microscopy. Three distinct photoluminescence peaks were observed for as-grown samples at low temperature and at room temperature the peaks merge together. Detailed analysis has been carried out to understand the origin of additional satellite peaks. A peak shift of about 23 nm was observed for irradiated samples after annealing. Highly-ordered satellite peaks were observed in X-ray scans of as-grown and Ag ion irradiated samples. In comparison, Au ion irradiated sample showed stronger interfacial degradation as seen by the diminished satellite peaks. The peak position of the irradiated samples shifted to the compressive side and was broadened in comparison with as-grown samples. The as-grown and annealed samples show smooth surfaces whereas irradiation results in nano-sized dot/island types of structures at the surface. The results are discussed in the light of complementary information provided by these techniques.

  7. In vitro inhibitory profile of NDGA against AChE and its in silico structural modifications based on ADME profile.

    Science.gov (United States)

    Remya, Chandran; Dileep, Kalarickal Vijayan; Tintu, Ignatius; Variyar, Elessery Jayadevi; Sadasivan, Chittalakkottu

    2013-03-01

    Acetylcholinesterase (AChE) inhibitors are currently in focus for the pharmacotherapy of Alzheimer's disease (AD). These inhibitors increase the level of acetylcholine in the brain and facilitate cholinergic neurotransmission. AChE inhibitors such as rivastigmine, galantamine, physostigmine and huperzine are obtained from plants, indicating that plants can serve as a potential source for novel AChE inhibitors. We have performed a virtual screening of diverse natural products with distinct chemical structure against AChE. NDGA was one among the top scored compounds and was selected for enzyme kinetic studies. The IC(50) of NDGA on AChE was 46.2 μM. However, NDGA showed very poor central nervous system (CNS) activity and blood-brain barrier (BBB) penetration. In silico structural modification on NDGA was carried out in order to obtain derivatives with better CNS activity as well as BBB penetration. The studies revealed that some of the designed compounds can be used as lead molecules for the development of drugs against AD.

  8. Acid-induced structural modifications of unsaturated Fatty acids and phenolic olive oil constituents by nitrite ions: a chemical assessment.

    Science.gov (United States)

    Napolitano, Alessandra; Panzella, Lucia; Savarese, Maria; Sacchi, Raffaele; Giudicianni, Italo; Paolillo, Livio; d'Ischia, Marco

    2004-10-01

    The structural modifications of the unsaturated fatty acid components of triglycerides in extra virgin olive oil (EVOO) following exposure to nitrite ions in acidic media were determined by two-dimensional (2D) NMR spectroscopy, aided by (15)N labeling and GC analysis, allowing investigation of the matrix without fractionation steps. In the presence of excess nitrite ions in a 1% sulfuric acid/oil biphasic system, extensive double bond isomerization of the oleic/linoleic acid components of triglycerides was observed associated with nitration/oxidation processes. Structurally modified species were identified as E/Z-nitroalkene, 1,2-nitrohydroxy, and 3-nitro-1-alkene(1,5-diene) derivatives based on (1)H, (13)C, and (15)N 2D NMR analysis in comparison with model compounds. Minor constituents of EVOO, including phenolic compounds and tocopherols, were also substantially modified by nitrite-derived nitrating species, even under milder reaction conditions relevant to those occurring in the gastric compartments. Novel nitrated derivatives of tyrosol, hydroxytyrosol, and oleuropein (6-8) were identified by LC/MS analysis of the polar fraction of EVOO and by comparison with synthetic samples. Overall, these results provide the first systematic description at the chemical level of the consequences of exposing EVOO to nitrite ions at acidic pH and offer an improved basis for further investigations in the field of toxic nitrosation/nitration reactions and dietary antinitrosating agents.

  9. Influence of organic modification on the structure and properties of polyurethane/sepiolite nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Chen Hongxiang, E-mail: chenhx_916@hotmail.com [Hubei Key Laboratory of Coal Conversion and New Carbon Material, College of Chemical Engineering and Technology, Wuhan University of Science and Technology, 947 Heping Road, 430081 Wuhan, Hubei (China); Zeng Danlin [Hubei Key Laboratory of Coal Conversion and New Carbon Material, College of Chemical Engineering and Technology, Wuhan University of Science and Technology, 947 Heping Road, 430081 Wuhan, Hubei (China); Xiao Xiaoqin [College of Machinery and Automation, Wuhan University of Science and Technology, 430081 Wuhan (China); Zheng Maosheng [Institute of Condensed Physics and Materials, Northwest University, 710069 Xi' an (China); Ke Changmei; Li Yanjun [Hubei Key Laboratory of Coal Conversion and New Carbon Material, College of Chemical Engineering and Technology, Wuhan University of Science and Technology, 947 Heping Road, 430081 Wuhan, Hubei (China)

    2011-01-25

    Research highlights: {yields} KH550 was the best among the three organic modifiers by comparing tensile properties, water resistance and swelling rate. {yields} FTIR revealed the strong interaction between KH550-Sp and the PU matrix. {yields} TEM revealed the compatibility of KH550-Sp and PU was improved. {yields} SEM confirmed the good dispersion of KH550-Sp in PU matrix. - Abstract: The polyurethane (PU) nanocomposites were prepared using organomodified sepiolite (organo-Sp) by in situ polymerization method. The clay was modified with three different organic modifiers such as {gamma}-aminopropyltriethoxylsilane (KH550), hexadecyltrimethylammonium bromide (CTAB) and lauric acid (LA). The morphology and the dispersion of organo-Sp in polyurethane were characterized by scanning electron microscope, transmission electron microscope and Fourier transform infrared spectroscopy. The influence of organo-Sp on the tensile properties, water resistance and swelling rate of polyurethane composites was studied. The results showed the properties and structure of polyurethane nanocomposites were related to the kind of organic modifier.

  10. Modification of the electronic structure in single-walled carbon nanotubes with aromatic amines

    Energy Technology Data Exchange (ETDEWEB)

    Dettlaff-Weglikowska, U.; Roth, S. [School of Electrical Engineering, Korea University, Seoul 136-713 (Korea, Republic of); Kim, G. [Department of Physics, Graphene Research Institute, Sejong University, Seoul 143-747 (Korea, Republic of); Bulusheva, L.G. [Nikolaev Institute of Inorganic Chemistry, SB RAS, 3 Ac. Lavrentyev ave., 630090 Novosibirsk (Russian Federation); Novosibirsk State Technical University, 20 K. Marx ave., Novosibirsk 630092 (Russian Federation)

    2011-11-15

    We investigated the interactions of two aromatic amines, N,N,N'N'-tetramethyl-p-phenylenediamine (TMPD) and tetramethylpyrazine (TMP) with single-walled carbon nanotube (SWNT) networks. Adsorption and intercalation of amine molecules in bundled SWNTs is expected to modify the electronic structure of nanotubes in a similar way as has already been observed for alkali metals. Our ab initio density functional calculations demonstrate that TMPD donates electron to the nanotube and produces donor-like states below the conduction band whereas the effect of the TMP treatment is very weak. The electron transfer to the nanotubes has been supported experimentally by the XPS valence band spectra which show strongly modified spectral features. Especially an increase of the electronic density at the Fermi level upon adsorption of TMPD and TMP is clearly demonstrated. Rather intensive features between {pi}* and {sigma}* transitions in the NEXAFS spectrum of the pristine SWNTs attributed to the oxidized carbon functional groups are chemically modified upon adsorption of amines on the networks. This fact suggests that the aromatic amines evidently react with the defects, remove or replace oxygen species responsible for the p-type doping of SWNTs, and therefore are acting as a de-doping agent for the naturally p-type doped semiconducting SWNTs. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Ion irradiation induced structural modifications and increase in elastic modulus of silica based thin films

    Science.gov (United States)

    Shojaee, S. A.; Qi, Y.; Wang, Y. Q.; Mehner, A.; Lucca, D. A.

    2017-01-01

    Ion irradiation is an alternative to heat treatment for transforming organic-inorganic thin films to a ceramic state. One major shortcoming in previous studies of ion-irradiated films is the assumption that constituent phases in ion-irradiated and heat-treated films are identical and that the ion irradiation effect is limited to changes in composition. In this study, we investigate the effects of ion irradiation on both the composition and structure of constituent phases and use the results to explain the measured elastic modulus of the films. The results indicated that the microstructure of the irradiated films consisted of carbon clusters within a silica matrix. It was found that carbon was present in a non-graphitic sp2-bonded configuration. It was also observed that ion irradiation caused a decrease in the Si-O-Si bond angle of silica, similar to the effects of applied pressure. A phase transformation from tetrahedrally bonded to octahedrally bonded silica was also observed. The results indicated the incorporation of carbon within the silica network. A combination of the decrease in Si-O-Si bond angle and an increase in the carbon incorporation within the silica network was found to be responsible for the increase in the elastic modulus of the films. PMID:28071696

  12. Granular size of potato starch affects structural properties, octenylsuccinic anhydride modification and flowability.

    Science.gov (United States)

    Wang, Chan; Tang, Chuan-He; Fu, Xiong; Huang, Qiang; Zhang, Bin

    2016-12-01

    Native potato starch (PS) granules were separated into three size fractions: larger than 30μm (P-L), 15-30μm (P-M), and smaller than 15μm (P-S). The morphological and crystalline structure of fractionated potato starches were investigated by light and scanning electron microscopy (SEM), X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The P-L fraction showed ellipsoidal shape and B-type X-ray pattern, whereas the P-S fraction had spherical shape and A-type pattern. The fluorophore-assisted capillary electrophoresis data showed that the P-L fraction had more B2 chains and less short A and B1 chains than the P-S counterparts. Smaller granules with larger specific surface area had higher degree of substitution when reacted with octenylsuccinic anhydride (OSA), and showed more uniform distribution of octenylsuccinate substituents. Both OSA modified and unmodified P-S samples showed higher flowability compared with the P-L counterparts.

  13. Vacuum structure in a chiral R+R{sup n} modification of pure supergravity

    Energy Technology Data Exchange (ETDEWEB)

    Ferrara, Sergio [Physics Department, Theory Unit, CERN, CH 1211, Geneva 23 (Switzerland); INFN – Laboratori Nazionali di Frascati, Via Enrico Fermi 40, I-00044 Frascati (Italy); Kehagias, Alex [Physics Division, National Technical University of Athens, 15780 Zografou Campus, Athens (Greece); Department of Theoretical Physics, 24 quai E. Ansermet, CH-1211, Geneva 4 (Switzerland); Porrati, Massimo [CCPP, Department of Physics, NYU, 4 Washington Pl., New York, NY 10016 (United States)

    2013-11-25

    We discuss an R+R{sup n} class of modified N=1, D=4 supergravity models where the deformation is a monomial R{sup n}|{sub F} in the chiral scalar curvature multiplet R of the “old minimal” auxiliary field formulation. The scalaron and goldstino multiplets are dual to each other in this theory. Since one of them is not dynamical, this theory, as recently shown, cannot be used as the supersymmetric completion of R+R{sup n} gravity. This is confirmed by investigating the scalar potential and its critical points in the dual standard supergravity formulation with a single chiral multiplet with specific Kähler potential and superpotential. We study the vacuum structure of this dual theory and we find that there is always a supersymmetric Minkowski critical point which however is pathological for n⩾3 as it corresponds to a corner (n=3) and a cusp (n>3) point of the potential. For n>3 an anti-de Sitter regular supersymmetric vacuum emerges. As a result, this class of models are not appropriate to describe inflation. We also find the mass spectrum and we provide a general formula for the masses of the scalars of a chiral multiplet around the anti-de Sitter critical point and their relation to osp(1,4) unitary representations.

  14. Evolutive and structural characterization of Nostoc commune iron-superoxide dismutase that is fit for modification.

    Science.gov (United States)

    Ma, Y; Lu, M; Li, J-Y; Qin, Y; Gong, X-G

    2012-10-04

    Superoxide dismutase (SOD) has extensive clinical applications for protecting organisms from toxic oxidation. In this study, the integrated iron-superoxide dismutase gene (fe-sod) coding sequence of Nostoc commune stain CHEN was cloned from genomic DNA and compared to sods from other reported algae. These analyses of immunology and phylogenetics indicated that this Fe-SOD is considerably homologous with SODs from lower prokaryotes (Fe-SOD or Mn-SOD) but not those from higher animals (Cu/Zn-SOD). In addition, the N. commune Fe-SOD shows 67 to 93% protein sequence identity to 10 other algal Fe-SODs (or Mn-SODs) and 69 to 93% gene sequence identity. Rare nonsynonymous substitutions imply that algal SODs are being subjected to strong natural selection. Interestingly, the N. commune Fe-SOD enzyme molecule has a compact active center that is highly conserved (38.1% of residues are absolutely conserved), and 2 loose ends localized outside the molecule and inclined to mutate (only 11.5% of residues are absolutely conserved). Based on associative analyses of evolution, structure, and function, this special phenomenon is attributed to function-dependent evolution through negative natural selection. Under strong natural selection, although the mutation is random on the gene level, the exterior region is inclined to mutate on the protein level owing to more nonsynonymous substitutions in the exterior region, which demonstrates the theoretical feasibility of modifying Fe-SOD on its ends to overcome its disadvantages in clinical applications.

  15. Influence of Ag2O on crystallisation and structural modifications of phosphate glasses

    Science.gov (United States)

    Aravindan, Samickannian; Rajendran, Venkatachalam; Rajendran, Nallaiyan

    2012-07-01

    A series of phosphate glasses of composition 45P2O5-(40 - x)CaO-15Na2O-xAg2O (x = 0, 3, 6, 8, 10 and 12 mol%) with different Ag2O contents were prepared using the melt-quenching technique. The incorporated Ag2O highly influenced the increase of its transition tendency towards crystallisation and, on contrary, reduced the degree of glassification of phosphate glasses. The lowering of glass transition temperature and increase in thermal expansion were observed in glasses against Ag2O inclusions. The crystalline phase transitions of amorphous material during thermal treatment were confirmed by employing X-ray diffraction studies. As revealed by X-ray photoelectron spectroscopy, the incorporated silver oxide into phosphate glass exists in two different oxidation states, Ag2O and AgO. The pyrophosphate and metaphosphate units were predominantly occupied in glass and glass ceramics. The elastic moduli and Vicker's hardness values exhibited the decrease in phosphate glass structural compactness due to Ag2O-incorporation and these values were found to improve because of crystalline transitions.

  16. Evidence of bovine serum albumin-viologen herbicide binding interaction and associated structural modifications

    Science.gov (United States)

    Roy, Swarup; Saxena, Shailendra K.; Mishra, Suryakant; Yogi, Priyanka; Sagdeo, P. R.; Kumar, Rajesh

    2017-07-01

    The binding ability of viologen herbicide with bovine serum albumin (BSA) has been investigated to understand viologen associated hazards by investigating ethyl viologen's (EV) binding using various spectroscopies and in-silico molecular docking approaches. Apparent association constant (1.3 × 104 L/mol), calculated using UV-Vis spectra indicating a moderate complex formation between BSA and EV. A static mode of fluorescence quenching has been observed as evident from inverse temperature dependence of Stern-Volmer quenching constant which also confirms an EV-BSA complex formation. Emission and time resolved fluorescence studies reveal that the emission quenching of BSA with EV is initiated by static quenching mechanism. A moderately strong binding affinity between EV and BSA has been observed (binding constant value of 7.58 × 104 L/Mol) using fluorescence quenching titration, obtained at 298 K. Quantitative measurements of thermodynamic parameters like enthalpy and entropy changes clearly indicates hydrophobic force responsible for EV-BSA complex formation. The binding distance between EV and BSA was found to be 4.48 nm are involved in non-radiative energy transfer process. Furthermore, from the circular dichroism spectra it was observed that addition of EV is also found to change the secondary structure of BSA which leads to decrease in α-helix. Above mentioned results are found to be in consonance with molecular docking simulations and supports the EV-BSA binding.

  17. BaCO3 mediated modifications in structural and magnetic properties of natural nanoferrites

    Science.gov (United States)

    Widanarto, W.; Jandra, M.; Ghoshal, S. K.; Effendi, M.; Cahyanto, W. T.

    2015-04-01

    Preparing M-type barium hexaferrite and improving the magnetic response of natural ferrites by incorporating barium carbonate (BaCO3) is ever-demanding. Series of barium carbonate doped ferrites with composition (100-x)Fe3O4·xBaCO3 (x=0, 10, 20, 30 wt%) are prepared through solid state reaction method and sintered gradually at temperatures of 800 and 1000 °C. Nanoparticles of natural ferrite and commercial BaCO3 are used as raw materials. Impacts of BaCO3 on structural and magnetic properties of these synthesized ferrites are inspected. The obtained ferrites are characterized using scanning electron microscopy (SEM), X-ray diffraction (XRD) and vibrating sample magnetometer (VSM) at room temperature. Uniform barium hexaferrite particles in terms of both morphology and size are not achieved. The average crystallite size of BaFe12O19 is observed to be within 30-600 nm. The sintering process results phase transformation from Fe3O4 (magnetite) to α-Fe2O3 (hematite) and the formation of hexagonal barium ferrite crystals. The occurrence of barium crystal is found to enhance with the increase of BaCO3 concentrations up to 20 wt% and suddenly drop at 30 wt%. Saturation and remanent magnetization of the doped ferrites are significantly augmented up to 16.37 and 8.92 emu g-1, respectively compared to their pure counterpart. Furthermore, the coercivity field is slightly decreased as BaCO3 concentrations are increased. BaCO3 mediated improvements in the magnetic response of natural ferrites are demonstrated.

  18. Pool boiling characteristics and critical heat flux mechanisms of microporous surfaces and enhancement through structural modification

    Science.gov (United States)

    Ha, Minseok; Graham, Samuel

    2017-08-01

    Experimental studies have shown that microporous surfaces induce one of the highest enhancements in critical heat flux (CHF) during pool boiling. However, microporous surfaces may also induce a very large surface superheat (>100 °C) which is not desirable for applications such as microelectronics cooling. While the understanding of the CHF mechanism is the key to enhancing boiling heat transfer, a comprehensive understanding is not yet available. So far, three different theories for the CHF of microporous surfaces have been suggested: viscous-capillary model, hydrodynamic instability model, and dryout of the porous coatings. In general, all three theories account for some aspects of boiling phenomena. In this study, the theories are examined through their correlations with experimental data on microporous surfaces during pool boiling using deionized (DI) water. It was found that the modulation of the vapor-jet through the pore network enables a higher CHF than that of a flat surface based on the hydrodynamic instability theory. In addition, it was found that as the heat flux increases, a vapor layer grows in the porous coatings described by a simple thermal resistance model which is responsible for the large surface superheat. Once the vapor layer grows to fill the microporous structure, transition to film boiling occurs and CHF is reached. By disrupting the formation of this vapor layer through the fabrication of channels to allow vapor escape, an enhancement in the CHF and heat transfer coefficient was observed, allowing CHF greater than 3500 kW/m2 at a superheat less than 50 °C.

  19. Structure-Function, Stability, and Chemical Modification of the Cyanobacterial Cytochrome b6f Complex from Nostoc sp. PCC 7120*

    Science.gov (United States)

    Baniulis, Danas; Yamashita, Eiki; Whitelegge, Julian P.; Zatsman, Anna I.; Hendrich, Michael P.; Hasan, S. Saif; Ryan, Christopher M.; Cramer, William A.

    2009-01-01

    The crystal structure of the cyanobacterial cytochrome b6f complex has previously been solved to 3.0-Å resolution using the thermophilic Mastigocladus laminosus whose genome has not been sequenced. Several unicellular cyanobacteria, whose genomes have been sequenced and are tractable for mutagenesis, do not yield b6f complex in an intact dimeric state with significant electron transport activity. The genome of Nostoc sp. PCC 7120 has been sequenced and is closer phylogenetically to M. laminosus than are unicellular cyanobacteria. The amino acid sequences of the large core subunits and four small peripheral subunits of Nostoc are 88 and 80% identical to those in the M. laminosus b6f complex. Purified b6f complex from Nostoc has a stable dimeric structure, eight subunits with masses similar to those of M. laminosus, and comparable electron transport activity. The crystal structure of the native b6f complex, determined to a resolution of 3.0Å (PDB id: 2ZT9), is almost identical to that of M. laminosus. Two unique aspects of the Nostoc complex are: (i) a dominant conformation of heme bp that is rotated 180° about the α- and γ-meso carbon axis relative to the orientation in the M. laminosus complex and (ii) acetylation of the Rieske iron-sulfur protein (PetC) at the N terminus, a post-translational modification unprecedented in cyanobacterial membrane and electron transport proteins, and in polypeptides of cytochrome bc complexes from any source. The high spin electronic character of the unique heme cn is similar to that previously found in the b6f complex from other sources. PMID:19189962

  20. Competition between surface modification and abrasive polishing: a method of controlling the surface atomic structure of 4H-SiC (0001).

    Science.gov (United States)

    Deng, Hui; Endo, Katsuyoshi; Yamamura, Kazuya

    2015-03-10

    The surface atomic step-terrace structure of 4H-SiC greatly affects its performance in power device applications. On the basis of the crystal structure of 4H-SiC, we propose the generation mechanism of the a-b-a*-b* type, a-b type and a-a type step-terrace structures. We demonstrate that the step-terrace structure of SiC can be controlled by adjusting the balance between chemical modification and physical removal in CeO2 slurry polishing. When chemical modification plays the main role in the polishing of SiC, the a-b-a*-b* type step-terrace structure can be generated. When the roles of physical removal and chemical modification have similar importance, the a-b-a*-b* type step-terrace structure changes to the a-b type. When physical removal is dominant, the uniform a-a type step-terrace structure can be generated.

  1. Surface and structural modifications of titanium induced by various pulse energies of a femtosecond laser in liquid and dry environment

    Science.gov (United States)

    Bashir, Shazia; Rafique, M. Shahid; Nathala, Chandra Sekher; Husinsky, Wolfgang

    2014-01-01

    The surface and structural modification of titanium (Ti) has been explored after the interaction of ultrashort laser pulses with the surface target. The targets were exposed by femtosecond Ti: Sapphire laser pulses in liquid (ethanol) and dry (air) environment. In order to explore the effect of pulse energy, the targets were exposed to 1,000 succeeding pulses for various pulse energies ranging from 200 to 500 μJ for pulse duration of 25 fs. SEM analyses were performed for central as well as the peripheral ablated areas of the target. It was found that in the case of ethanol (both for central and peripheral ablated areas) there is a grain growth along with nanoscale pores and dots when the target was irradiated for 200 μJ. For intermediate energies (300-400 μJ), grains of 1-2 μm with distinct boundaries are formed in the central ablated area. Whereas in the peripheral ablated area, laser-induced periodic surface structures (LIPSS) and globules are grown. For the highest pulse energy (500 μJ), distinct grains are observed for both regions. However, in the peripheral area the grains are of bigger size with cracks along the boundaries. In case of ablation in air, in the center of ablated areas, island-like structures with multiple ablative layer or LIPSS and nanoscale spheres are observed both for lower and intermediate pulse energies. For the highest pulse energy only nanoscale LIPSS could be observed. For ablation in air at the peripheral areas, well-defined, laser-induced periodic surface structures are observed for all pulse energies. Raman spectroscopy reveals that the liquid (ethanol) environment forms the carbonyl compounds with the metal and induces C-C stretching vibration, whereas in case of air, hydroxo complexes are formed. It has been found that surface treatment of Ti with ultrashort (25 fs) laser radiation in ethanol environment allows the growth of particular surface structures in the form of grains and simultaneously induces changes in its

  2. Modification of structure and optical band-gap of nc-Si:H films with ion irradiation

    Science.gov (United States)

    Zhu, Yabin; Wang, Zhiguang; Sun, Jianrong; Yao, Cunfeng; Shen, Tielong; Li, Bingsheng; Wei, Kongfang; Pang, Lilong; Sheng, Yanbin; Cui, Minghuan; Li, Yuanfei; Wang, Ji; Zhu, Huiping

    2012-09-01

    Hydrogenated nano-crystalline silicon (nc-Si:H) films fabricated by using hot-wire chemical vapor deposition are irradiated at room temperature with 6.0 MeV Xe-ions. The irradiation fluences are 1.0 × 1013, 5.0 × 1013 and 1.0 × 1014 Xe-ions/cm2. The structure and optical band-gap of the irradiated films varying with ion fluence are investigated by means of X-ray diffraction, Raman and UV-Vis-NIR spectroscopes, as well as transmission electron microscopy. It is found that the crystallite size, the crystalline fraction and the optical band-gap decrease continuously with increasing the ion fluence. The crystalline fraction of the films irradiated to the fluences from 0 to 1.0 × 1014 Xe-ions/cm2 decreases from about 65.7% to 2.9% and the optical band-gap decreases from about 2.1 to 1.6 eV. Possible origins of the modification of the nc-Si:H films under 6.0 MeV Xe-ions irradiation are briefly discussed.

  3. Structural modifications induced by compressive plastic deformation in single-step and sequentially irradiated UHMWPE for hip joint components.

    Science.gov (United States)

    Puppulin, Leonardo; Sugano, Nobuhiko; Zhu, Wenliang; Pezzotti, Giuseppe

    2014-03-01

    Structural modifications were studied at the molecular scale in two highly crosslinked UHMWPE materials for hip-joint acetabular components, as induced upon application of (uniaxial) compressive strain to the as-manufactured microstructures. The two materials, quite different in their starting resins and belonging to different manufacturing generations, were a single-step irradiated and a sequentially irradiated polyethylene. The latter material represents the most recently launched gamma-ray-irradiated polyethylene material in the global hip implant market. Confocal/polarized Raman spectroscopy was systematically applied to characterize the initial microstructures and the microstructural response of the materials to plastic deformation. Crystallinity fractions and preferential orientation of molecular chains have been followed up during in vitro deformation tests on unused cups and correlated to plastic strain magnitude and to the recovery capacity of the material. Moreover, analyses of the in vivo deformation behavior of two short-term retrieved hip cups are also presented. Trends of preferential orientation of molecular chains as a function of residual strain were similar for both materials, but distinctly different in their extents. The sequentially irradiated material was more resistant to plastic deformation and, for the same magnitude of residual plastic strain, possessed a higher capacity of recovery as compared to the single-step irradiated one.

  4. Swift heavy ion irradiation induced modification of structure and surface morphology of BiFeO3 thin film

    Indian Academy of Sciences (India)

    B N Dash; P Mallick; P Dash; R Biswal; Jai Prakash; A Tripathi; D Kanjilal; N C Mishra

    2013-10-01

    BiFeO3 (BFO) thin films of thickness about 800 nm deposited on Si (100) substrates by sol–gel spin coating method were irradiated by 200 MeV Ag ions. Modification of structure and surface morphology of the films under irradiation was studied using glancing incidence X-ray diffraction (GIXRD) and atomic force microscope (AFM). Fluence dependence of GIXRD peak intensity indicated formation of 10 nm diameter cylindrical amorphous columns in crystalline BFO due to 200 MeV Ag ion irradiation. AFM analysis indicated that the pristine film consists of agglomerated grains with diffuse grain boundary. Irradiation led to reduced agglomeration of the grains with the formation of sharper grain boundaries. The rms roughness (rms) estimated from AFM analysis increased from 6.2 in pristine film to 12.7 nm when the film irradiated at a fluence of 1 × 1011 ions cm-2. Further irradiation led to decrease of rms which finally saturated at a value of 7–8 nm at high ion fluences. The power spectral density analysis indicated that the evolution of surface morphology of the pristine film is governed by the combined effect of evaporation condensation and volume diffusion processes. Swift heavy ion irradiation seems to increase the dominance of volume diffusion in controlling surface morphology of the film at high ion fluences.

  5. Site-specific covalent modifications of human insulin by catechol estrogens: Reactivity and induced structural and functional changes

    Science.gov (United States)

    Ku, Ming-Chun; Fang, Chieh-Ming; Cheng, Juei-Tang; Liang, Huei-Chen; Wang, Tzu-Fan; Wu, Chih-Hsing; Chen, Chiao-Chen; Tai, Jung-Hsiang; Chen, Shu-Hui

    2016-06-01

    Proteins, covalently modified by catechol estrogens (CEs), were identified recently from the blood serum of diabetic patients and referred to as estrogenized proteins. Estrogenization of circulating insulin may occur and affect its molecular functioning. Here, the chemical reactivity of CEs towards specific amino acid residues of proteins and the structural and functional changes induced by the estrogenization of insulin were studied using cyclic voltammetry, liquid chromatography-mass spectrometry, circular dichroism spectroscopy, molecular modeling, and bioassays. Our results indicate that CEs, namely, 2- and 4-hydroxyl estrogens, were thermodynamically and kinetically more reactive than the catechol moiety. Upon co-incubation, intact insulin formed a substantial number of adducts with one or multiple CEs via covalent conjugation at its Cys 7 in the A or B chain, as well as at His10 or Lys29 in the B chain. Such conjugation was coupled with the cleavage of inter-chain disulfide linkages. Estrogenization on these sites may block the receptor-binding pockets of insulin. Insulin signaling and glucose uptake levels were lower in MCF-7 cells treated with modified insulin than in cells treated with native insulin. Taken together, our findings demonstrate that insulin molecules are susceptible to active estrogenization, and that such modification may alter the action of insulin.

  6. Propriétés fonctionnelles - Modifications chimiques des protéines alimentaires et étude des relations structure/fonction

    Directory of Open Access Journals (Sweden)

    Vidal Véronique

    2003-01-01

    Full Text Available Les modifications chimiques des protéines alimentaires sont réalisées dans le but d’ améliorer leurs propriétés fonctionnelles. Elles sont également pratiquées pour des études fondamentales des relations structure/fonction des protéines. Les principales modifications chimiques des protéines alimentaires sont présentées ainsi que leurs incidences sur les propriétés fonctionnelles telles les propriétés émulsifiantes, moussantes, visqueuses, d’hydratation et de gélification.

  7. Structural characterization of three crystalline modifications of telmisartan by single crystal and high-resolution X-ray powder diffraction.

    Science.gov (United States)

    Dinnebier, R E; Sieger, P; Nar, H; Shankland, K; David, W I

    2000-11-01

    Three crystalline modifications (A, B, and C) of 4'-[[2-n-propyl-4-methyl-6-(1-methyl-benzimidazol-2-yl)benzi midazol-1-yl]methyl]biphenyl-2-carboxylic acid (INN name, telmisartan) have been detected and their crystal structures have been determined by single-crystal X-ray diffraction (pseudopolymorph C) and the method of simulated annealing from high-resolution X-ray powder diffraction data (polymorphs A and B). The compound is of interest because of its use as an angiotensin II receptor antagonist. Polymorph A crystallizes in space group P2(I)/c, Z = 4, with unit cell parameters a = 18.7798(3), b = 18.1043(2), and c = 8.00578(7) A, beta = 97.066(1) degrees, and V = 2701.31 A(3). Polymorph B crystallizes in space group P2(I)/a, Z = 4, with unit cell parameters a = 16.0646(5), b = 13.0909(3), and c = 13.3231(3) A, beta = 99.402(1) degrees, and V = 2764.2(1) A(3). The solvated form C crystallizes in space group C2/c, Z = 8, with unit cell parameters a = 30.990(5), b = 13.130(3), and c = 16.381(3) A, beta = 95.02(2) degrees, and V = 6639(2) A(3). For the structure solutions of polymorphs A and B, 13 degrees of freedom (3 translational, 3 orientational, 7 torsion angles) were determined in approximately 2 h of computer time, demonstrating that the crystal packing and the molecular conformation of medium-sized (MW approximately 500) pharmaceutical compounds can now be solved quickly and routinely from high-resolution X-ray powder diffraction data.

  8. Molecular dynamics study of accelerated ion-induced shock waves in biological media

    CERN Document Server

    de Vera, Pablo; Currell, Fred J; Solov'yov, Andrey V

    2016-01-01

    We present a molecular dynamics study of the effects of carbon- and iron-ion induced shock waves in DNA duplexes in liquid water. We use the CHARMM force field implemented within the MBN Explorer simulation package to optimize and equilibrate DNA duplexes in liquid water boxes of different sizes and shapes. The translational and vibrational degrees of freedom of water molecules are excited according to the energy deposited by the ions and the subsequent shock waves in liquid water are simulated. The pressure waves generated are studied and compared with an analytical hydrodynamics model which serves as a benchmark for evaluating the suitability of the simulation boxes. The energy deposition in the DNA backbone bonds is also monitored as an estimation of biological damage, something which lies beyond the possibilities of the analytical model.

  9. Prooxidant and antioxidant effects of Trolox on ferric ion-induced oxidation of erythrocyte membrane lipids.

    Science.gov (United States)

    Ko, K M; Yick, P K; Poon, M K; Ip, S P

    1994-12-07

    The prooxidant and antioxidant actions of Trolox were examined in an in vitro system measuring ferric ion-induced oxidation of erythrocyte membrane lipids. Trolox was found to produce a concentration-dependent biphasic effect on the ferric ion-stimulated lipid peroxidation, with the mode of action being similar to those produced by reducing-agent antioxidants, such as ascorbic acid and reduced glutathione, and iron chelator, such as desferrioxamine. Phytic acid, a potent iron chelator, could suppress the prooxidant actions of Trolox and desferrioxamine, but not those of ascorbic acid and reduced glutathione. The ability of Trolox to stimulate ferric ion-catalyzed ascorbate oxidation, as similar to the action produced by ethylenediaminetetraacetic acid, indicates the presence of iron-chelating activity. The ensemble of results suggests the possible involvement of iron chelation in the prooxidant action of Trolox in ferric ion-stimulated lipid peroxidation reactions.

  10. Role of substrate morphology in ion induced dewetting of thin solid films

    Energy Technology Data Exchange (ETDEWEB)

    Repetto, Luca, E-mail: luca.repetto@unige.it [Physics Department and Nanomed Labs, Università di Genova, Via Dodecaneso 33, 16146 Genova (Italy); Lo Savio, Roberto [Physics Department and Nanomed Labs, Università di Genova, Via Dodecaneso 33, 16146 Genova (Italy); Šetina Batič, Barbara [Inštitut Za Kovinske Materiale in Tehnologije, Lepi pot 11, 1000 Ljubljana (Slovenia); Firpo, Giuseppe; Valbusa, Ugo [Physics Department and Nanomed Labs, Università di Genova, Via Dodecaneso 33, 16146 Genova (Italy)

    2014-10-01

    Highlights: • We have created by ion bombardment silicon substrates with different topographies. • The substrates have been characterized by ellipsometry, AFM, SEM and EDX. • The substrates have been used for experiments of ion induced Cr films. • We show that different substrate topographies can induce different dewetted patterns. • Substrate topography can favor spinodal dewetting against heterogeneous nucleations. - Abstract: We investigate the role of the substrate morphology in the dewetting of ultrathin chromium films irradiated with 30 keV Ga ions. Silicon surfaces with different roughness were used as substrates for the films. The results of the irradiation experiments and of related simulations indicate that the chromium films can undergo a dewetting-like process through the two standard channels that show up for liquids, namely the spinodal channel, and the dewetting by heterogeneous nucleation. The two processes are competitive, and the prevailing one can be predicted and selected according to the characteristics of the substrate.

  11. Flash thermal conditioning of olive pastes during the olive oil mechanical extraction process: impact on the structural modifications of pastes and oil quality.

    Science.gov (United States)

    Esposto, Sonia; Veneziani, Gianluca; Taticchi, Agnese; Selvaggini, Roberto; Urbani, Stefania; Di Maio, Ilona; Sordini, Beatrice; Minnocci, Antonio; Sebastiani, Luca; Servili, Maurizio

    2013-05-22

    The quality of virgin olive oil (VOO) is strictly related to the concentrations of phenolic and volatile compounds, which are strongly affected by the operative conditions of the VOO mechanical extraction process. The aim of this work is to study the impact of a new technology such as flash thermal conditioning (FTC) on olive paste structural modification and on VOO quality. The evaluation of olive paste structure modification by cryo-scanning electron microscopy (cryo-SEM) showed that the application of FTC after crushing produces significant differences in terms of the breaking of the parenchyma cells and aggregation of oil droplets in comparison to the crushed pastes. The virgin olive oil flash thermal conditioning (VOO-FTC) featured a higher concentration of volatile compounds compared to that in the control, particularly of all saturated and unsaturated aldehydes and esters, whereas the phenolic concentration was higher in VOO obtained from the traditional process (VOO-C).

  12. The Network Modification (NeMo) Tool: Elucidating the Effect of White Matter Integrity Changes on Cortical and Subcortical Structural Connectivity

    OpenAIRE

    Kuceyeski, Amy; Maruta, Jun; Relkin, Norman; Raj, Ashish

    2013-01-01

    Accurate prediction of brain dysfunction caused by disease or injury requires the quantification of resultant neural connectivity changes compared with the normal state. There are many methods with which to assess anatomical changes in structural or diffusion magnetic resonance imaging, but most overlook the topology of white matter (WM) connections that make up the healthy brain network. Here, a new neuroimaging software pipeline called the Network Modification (NeMo) Tool is presented that ...

  13. Ubiquitin modifications

    OpenAIRE

    Swatek, Kirby N.; Komander, David

    2016-01-01

    Protein ubiquitination is a dynamic multifaceted post-translational modification involved in nearly all aspects of eukaryotic biology. Once attached to a substrate, the 76-amino acid protein ubiquitin is subjected to further modifications, creating a multitude of distinct signals with distinct cellular outcomes, referred to as the 'ubiquitin code'. Ubiquitin can be ubiquitinated on seven lysine (Lys) residues or on the N-terminus, leading to polyubiquitin chains that can encompass complex top...

  14. Effect of surface topological structure and chemical modification of flame sprayed aluminum coatings on the colonization of Cylindrotheca closterium on their surfaces

    Science.gov (United States)

    Chen, Xiuyong; He, Xiaoyan; Suo, Xinkun; Huang, Jing; Gong, Yongfeng; Liu, Yi; Li, Hua

    2016-12-01

    Biofouling is one of the major problems for the coatings used for protecting marine infrastructures during their long-term services. Regulation in surface structure and local chemistry is usually the key for adjusting antifouling performances of the coatings. In this study, flame sprayed multi-layered aluminum coatings with micropatterned surfaces were constructed and the effects of their surface structure and chemistry on the settlement of typical marine diatoms were investigated. Micropatterned topographical morphology of the coatings was constructed by employing steel mesh as a shielding plate during the coating deposition. A silicone elastomer layer for sealing and interconnection was further brush-coated on the micropatterned coatings. Additional surface modification was made using zwitterionic molecules via DOPA linkage. The surface-modified coatings resist effectively colonization of Cylindrotheca closterium. This is explained by the quantitative examination of a simplified conditioning layer that deteriorated adsorption of bovine calf serum proteins on the zwitterionic molecule-treated samples is revealed. The colonization behaviors of the marine diatoms are markedly influenced by the micropatterned topographical morphology. Either the surface micropatterning or the surface modification by zwitterionic molecules enhances antimicrobial ability of the coatings. However, the combined micropatterned structure and zwitterionic modification do not show synergistic effect. The results give insight into anti-corrosion/fouling applications of the modified aluminum coatings in the marine environment.

  15. Role of hydroxylation modification on the structure and property of reduced graphene oxide/TiO{sub 2} hybrids

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Shiyi [College of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114 (China); Liu, Tiangui, E-mail: tianguiliu@gmail.com [College of Physics and Microelectronics Science, Hunan University, Changsha 410082 (China); Tsang, Yuenhong [Department of Applied Physics, The Hong Kong Polytechnic University, Hong Kong, 999077 (China); Chen, Chuansheng, E-mail: 1666423158@qq.com [College of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114 (China)

    2016-09-30

    Graphical abstract: The structure model and enhancement mechanism of hydroxylation treatment on adsorbability and photocatalytic activity. - Highlights: • Highly-hydroxylated TiO{sub 2}/rGO hybrids can be obtained by UV pre-excitation and microwave method. • Surface hydroxylation induces many defects (Ti{sup 3+}, O vacancy and Ti-OH) and changes color into yellow. • Hydroxylation expands the light absorption up to about 600 nm and benefits to adsorb organic dyes. • ESR reveals the self-accumulation of hydroxyl radicals under the irradiation of UV and visible light. • The photoinduced defects and rGO/TiO{sub 2}@OH-TiO{sub 2} heterojunctions enable the excellent applicability. - Abstract: To extend the spectra response of TiO{sub 2} and enhance its photocatalytic activity, surface modification and catalyst supporter have attracted great attention. In this report, a simple and versatile approach has been developed to hydroxylate the reduced graphene oxide/TiO{sub 2} hybrids (OH-rGO/TiO{sub 2}) by UV-microwave method, and the enhanced mechanisms of hydroxylation were analyzed in details. Experimental results show that TiO{sub 2} nanocrystals@OH-TiO{sub 2} heterojunctions formed on rGO sheets in situ by UV/H{sub 2}O{sub 2} process. Hydroxylation not only can induce many surface defects (Ti{sup 3+}, O vacancy and Ti-OH) on the surface of TiO{sub 2}, but also change the color into yellow and strengthen the interaction between rGO and TiO{sub 2}. OH-rGO/TiO{sub 2} hybrids showed excellent durability for high-concentration dyes, and exhibited strong adsorbability and photocatalytic activity. These enhancements are attributed to the excellent property of rGO and surface defects of TiO{sub 2} induced by hydroxylation, which expand the light absorption up to 600 nm, benefit to the self-dispersion of hybrids, and improve the adsorption dynamic and charge transfer with lower carrier’s recombination.

  16. Modifications to the Method of Modal Strain Energy for Improved Estimates of Loss Factors for Damped Structures

    Directory of Open Access Journals (Sweden)

    Peter J. Torvik

    2007-01-01

    Full Text Available The method of Modal Strain Energy (MSE enables predictions of modal loss factors for vibrating systems from finite element analyses without evaluation of a complex-valued frequency response or a complex-valued frequency. While the method is simple, some error results; especially if the dissipative material has the high loss factor characteristic of materials added to increase system damping. Several methods for reducing this error through modifications to MSE have been suggested. In this work, the exact loss factor for a simple mechanical system is found. The method of Modal Strain Energy (MSE is then used to find the loss factor for that prototype system and errors are evaluated in terms of system parameters. Comparisons are also made to predictions with several modifications to MSE. A modification due to Rongong is found to provide significant improvement. The use of this modification together with MSE is shown to lead to lower and upper bounds for the system loss factor. As the prototype system is shown to be mechanically equivalent to constrained layer damping configurations, the findings are applicable to the analysis and design of optimized sandwich beams, plates, and damping tapes. Results are given for beams and plates with constrained layer treatments.

  17. Structure of the histone chaperone CIA/ASF1-double bromodomain complex linking histone modifications and site-specific histone eviction.

    Science.gov (United States)

    Akai, Yusuke; Adachi, Naruhiko; Hayashi, Yohei; Eitoku, Masamitsu; Sano, Norihiko; Natsume, Ryo; Kudo, Norio; Tanokura, Masaru; Senda, Toshiya; Horikoshi, Masami

    2010-05-04

    Nucleosomes around the promoter region are disassembled for transcription in response to various signals, such as acetylation and methylation of histones. Although the interactions between histone-acetylation-recognizing bromodomains and factors involved in nucleosome disassembly have been reported, no structural basis connecting histone modifications and nucleosome disassembly has been obtained. Here, we determined at 3.3 A resolution the crystal structure of histone chaperone cell cycle gene 1 (CCG1) interacting factor A/antisilencing function 1 (CIA/ASF1) in complex with the double bromodomain in the CCG1/TAF1/TAF(II)250 subunit of transcription factor IID. Structural, biochemical, and biological studies suggested that interaction between double bromodomain and CIA/ASF1 is required for their colocalization, histone eviction, and pol II entry at active promoter regions. Furthermore, the present crystal structure has characteristics that can connect histone acetylation and CIA/ASF1-mediated histone eviction. These findings suggest that the molecular complex between CIA/ASF1 and the double bromodomain plays a key role in site-specific histone eviction at active promoter regions. The model we propose here is the initial structure-based model of the biological signaling from histone modifications to structural change of the nucleosome (hi-MOST model).

  18. Effect of ion irradiation on the surface, structural and mechanical properties of brass

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Shahbaz; Bashir, Shazia, E-mail: shaziabashir@gcu.edu.pk; Ali, Nisar; Umm-i-Kalsoom,; Yousaf, Daniel; Faizan-ul-Haq,; Naeem, Athar; Ahmad, Riaz; Khlaeeq-ur-Rahman, M.

    2014-04-01

    Highlights: • Brass targets were exposed to carbon ions of energy 2 MeV. • The effect of ion dose has been investigated. • The surface morphology is investigated by SEM analysis. • XRD analysis is performed to reveal structural modification. • Mechanical properties were investigated by tensile testing and microhardness testing. - Abstract: Modifications to the surface, structural and mechanical properties of brass after ion irradiation have been investigated. Brass targets were bombarded by carbon ions of 2 MeV energy from a Pelletron linear accelerator for various fluences ranging from 56 × 10{sup 12} to 26 × 10{sup 13} ions/cm{sup 2}. A scanning electron microscope and X-ray diffractometer were utilized to analyze the surface morphology and crystallographic structure respectively. To explore the mechanical properties e.g., yield stress, ultimate tensile strength and microhardness of irradiated brass, an universal tensile testing machine and Vickers microhardness tester were used. Scanning electron microscopy results revealed an irregular and randomly distributed sputter morphology for a lower ion fluence. With increasing ion fluence, the incoherently shaped structures were transformed into dendritic structures. Nano/micro sized craters and voids, along with the appearance of pits, were observed at the maximum ion fluence. From X-ray diffraction results, no new phases were observed to be formed in the brass upon irradiation. However, a change in the peak intensity and higher and lower angle shifting were observed, which represents the generation of ion-induced defects and stresses. Analyses confirmed modifications in the mechanical properties of irradiated brass. The yield stress, ultimate tensile strength and hardness initially decreased and then increased with increasing ion fluence. The changes in the mechanical properties of irradiated brass are well correlated with surface and crystallographic modifications and are attributed to the generation

  19. Low energy ion induced desorption on technical surfaces at room temperature

    CERN Document Server

    Hulla, Georg

    2009-01-01

    The ion-induced pressure instability is a hard limitation for the maximum intensity, and hence the ultimate luminosity achievable in a proton accelerator. This instability is due to the interaction of high intensity proton beams with the residual gas generating positive ions. These ions, accelerated by the beam space charge, impact on the vaccuum chamber wall and lead to the desorption of gaseous species like $H_{2}, CH_{4}, C_{2}H_{4}, C_{2}H_{6}, CO$ and $CO_{2}$. These gases can in turn be ionized by the circulating beam, and initiate a pressure run-away process causing the loss of the stored beam. This phenomenon was first registered right at the beginning of operation of the Intersecting Storage Rings (ISR) at CERN in 1970. Later on, a long term evolution of the pressure was recorded for a stable stored beam current where a change of the residual gas composition was measured. In order to adapt the pumping speed and the surface treatments to the desired circulating beam currents, mathematical tools (e.g. ...

  20. Parameterization of ion-induced nucleation rates based on ambient observations

    Directory of Open Access Journals (Sweden)

    T. Nieminen

    2011-04-01

    Full Text Available Atmospheric ions participate in the formation of new atmospheric aerosol particles, yet their exact role in this process has remained unclear. Here we derive a new simple parameterization for ion-induced nucleation or, more precisely, for the formation rate of charged 2-nm particles. The parameterization is semi-empirical in the sense that it is based on comprehensive results of one-year-long atmospheric cluster and particle measurements in the size range ~1–42 nm within the EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions project. Data from 12 field sites across Europe measured with different types of air ion and cluster mobility spectrometers were used in our analysis, with more in-depth analysis made using data from four stations with concomitant sulphuric acid measurements. The parameterization is given in two slightly different forms: a more accurate one that requires information on sulfuric acid and nucleating organic vapor concentrations, and a simpler one in which this information is replaced with the global radiation intensity. These new parameterizations are applicable to all large-scale atmospheric models containing size-resolved aerosol microphysics, and a scheme to calculate concentrations of sulphuric acid, condensing organic vapours and cluster ions.

  1. Review of Heavy-ion Induced Desorption Studies for Particle Accelerators

    CERN Document Server

    Mahner, E

    2008-01-01

    During high-intensity heavy-ion operation of several particle accelerators worldwide, large dynamic pressure rises of orders of magnitude were caused by lost beam ions that impacted under grazing angle onto the vacuum chamber walls. This ion-induced desorption, observed, for example, at CERN, GSI, and BNL, can seriously limit the ion intensity, luminosity, and beam lifetime of the accelerator. For the heavyion program at CERN's Large Hadron Collider collisions between beams of fully stripped lead (208Pb82+) ions with a beam energy of 2.76 TeV/u and a nominal luminosity of 10**27 cm**-2 s**-1 are foreseen. The GSI future project FAIR (Facility for Antiproton and Ion Research) aims at a beam intensity of 10**12 uranium (238U28+) ions per second to be extracted from the synchrotron SIS18. Over the past years an experimental effort has been made to study the observed dynamic vacuum degradations, which are important to understand and overcome for present and future particle accelerators. The paper reviews the resu...

  2. The use of low energy, ion induced nuclear reactions for proton radiotherapy applications

    Energy Technology Data Exchange (ETDEWEB)

    Horn, K.M.; Doyle, B. [Sandia National Labs., Albuquerque, NM (United States); Segal, M.N. [Univ. of New Mexico Medical School, Albuquerque, NM (United States). Dept. of Otolaryngology; Hamm, R.W. [Accsys Technology Inc., Pleasanton, CA (United States); Adler, R.J. [North Star Research Corp., Albuquerque, NM (United States); Glatstein, E. [Univ. of Texas Southwest Medical Center, Dallas, TX (United States)

    1995-04-01

    Medical radiotherapy has traditionally relied upon the use of external photon beams and internally implanted radioisotopes as the chief means of irradiating tumors. However, advances in accelerator technology and the exploitation of novel means of producing radiation may provide useful alternatives to some current modes of medical radiation delivery with reduced total dose to surrounding healthy tissue, reduced expense, or increased treatment accessibility. This paper will briefly overview currently established modes of radiation therapy, techniques still considered experimental but in clinical use, innovative concepts under study that may enable new forms of treatment or enhance existing ones. The potential role of low energy, ion-induced nuclear reactions in radiotherapy applications is examined specifically for the 650 keV d({sup 3}He,p){sup 4}He nuclear reaction. This examination will describe the basic physics associated with this reaction`s production of 17.4 MeV protons and the processes used to fabricate the necessary materials used in the technique. Calculations of the delivered radiation dose, heat generation, and required exposure times are presented. Experimental data are also presented validating the dose calculations. The design of small, lower cost ion accelerators, as embodied in `nested`-tandem and radio frequency quadrupole accelerators is examined, as is the potential use of high-output {sup 3}He and deuterium ion sources. Finally, potential clinical applications are discussed in terms of the advantages and disadvantages of this technique with respect to current radiotherapy methods and equipment.

  3. Sign preference in ion-induced nucleation: contributions to the free energy barrier.

    Science.gov (United States)

    Keasler, Samuel J; Kim, Hyunmi; Chen, Bin

    2012-11-07

    We have performed a series of computer simulations using the AVUS-HR approach to better understand the origin of the sign preference in ion-induced nucleation. In particular, we emphasize the importance of distinguishing between the total formation free energy of a cluster, and the nucleation free energy, which involves only those steps contributing to the free energy barrier. We have separately considered how the ion-water potential energy, the water-water potential energy, and the entropy contribute to both the cluster formation free energy, and the nucleation free energy. These simulations have shown that while the ion-water potential energies make the largest contribution to the formation free energy difference between positive and negative ions, the entropy is the contribution leading to lower nucleation free energy barriers for negative ions. The primary reason for this is the larger stable (but precritical) clusters formed around negative ions. We have further shown that the distinction between formation and nucleation free energies is of particular importance when comparing small cations with larger anions where the formation free energies can be much lower for the cationic clusters, even though the nucleation barriers are lower for the anionic clusters.

  4. Electronic structure modification and Fermi level shifting in niobium-doped anatase titanium dioxide thin films: a comparative study of NEXAFS, work function and stiffening of phonons.

    Science.gov (United States)

    Gautam, Subodh K; Das, Arkaprava; Ojha, S; Shukla, D K; Phase, D M; Singh, Fouran

    2016-02-07

    The electronic structure and tuning of work function (WF) by electronic excitations (EEs) induced by swift heavy ions (SHIs) in anatase niobium-doped titanium dioxide (NTO) thin films is reported. The densities of EEs were varied using 80 MeV O, 130 MeV Ni and 120 MeV Ag ions for irradiation. The EE-induced modifications in electronic structure were studied by O K-edge and Ti L3,2 edge absorption spectra using near edge X-ray absorption fine structure (NEXAFS) spectroscopy. The reduction of hybridized O 2p and Ti 3d unoccupied states in the conduction band with a decrease in energy of the crystal field strength of ∼ 480 meV and the correlated effect on the decrease in the WF value of ∼ 520 meV upon increasing the total energy deposition in the lattice are evident from the study of NEXAFS and scanning Kelvin probe microscopy (SKPM), respectively. The observed stiffening in the low frequency Raman mode (LFRM) of ∼ 9 cm(-1) further validates the electronic structure modification under the influence of EE-induced strain in TiO6 octahedra. The reduction of hybridized valence states, stiffening behavior of LFRM and decrease in WF by nano-crystallization followed by amorphization and defects in NTO lattice are explained in terms of continuous, discontinuous amorphous ion tracks containing intestinally created defects and non-stoichiometry in the lattice. These studies are very appropriate for better insights of electronic structure modification during phase transformation and controlled Fermi level shifting, which plays a crucial role in controlling the charge carrier injection efficiency in opto-electronic applications and also provides a deeper understanding of the involved physical processes.

  5. Modifications to the Method of Modal Strain Energy for Improved Estimates of Loss Factors for Damped Structures

    OpenAIRE

    Torvik, Peter J.; Brian Runyon

    2007-01-01

    The method of Modal Strain Energy (MSE) enables predictions of modal loss factors for vibrating systems from finite element analyses without evaluation of a complex-valued frequency response or a complex-valued frequency. While the method is simple, some error results; especially if the dissipative material has the high loss factor characteristic of materials added to increase system damping. Several methods for reducing this error through modifications to MSE have been suggested. In this wor...

  6. 钢结构的地震反应修正系数%The Seismic Response Modification Factors of Steel Structures

    Institute of Scientific and Technical Information of China (English)

    顾强; 申永康; 李成

    2011-01-01

    现代结构抗震设计利用结构的延性和超强,并引入地震反应修正系数对设防地震下的单质点弹性反应谱进行折减,得出结构的设计地震作用后按弹性设计结构。结构地震反应修正系数的取值是否合理关系到结构抗震设计的安全与经济,采用Pushover推覆、改进的能力谱法计算了按我国规范设计的12个抗弯钢框架、15个V型偏心支撑钢框架的地震反应修正系数、延性折减系数、超强系数,并与国内现行抗震规范隐含的地震反应修正系数进行了对比。%The ductility and overstrength of the structure are used in the modern structure seismic design,and the seismic response modification factor is used to reduce the linear elastic response spectra of single-of-freedom,which helps to obtain the design seismic forces in the modern seismic design.The seismic response modification factor is important to the reliability and economy of the building seismic design.Based on the static pushover analysis with the modified capacity spectrum method,the paper has analyzed the seismic response modification factor,ductility reduction factor,and overstrength factor of 12 moment resisting steel frames and 15 V-eccentrically braced steel frames according to the national standard design,which is also compared with the seismic response modification factor implied in the present seismic norms in China.

  7. Ion irradiation induced structural modifications of Fe{sub 81}Mo{sub 8}Cu{sub 1}B{sub 10} NANOPERM-type alloy

    Energy Technology Data Exchange (ETDEWEB)

    Miglierini, Marcel [Institute of Nuclear and Physical Engineering, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Bratislava (Slovakia); Department of Nuclear Reactors, Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University, Prague (Czech Republic); Hasiak, Mariusz [Department of Mechanics and Materials Science, Wroclaw University of Technology (Poland)

    2016-05-15

    Structural modifications and their impact upon magnetic properties are studied in amorphous NANOPERM-type {sup 57}Fe{sub 81}Mo{sub 10}Cu{sub 1}B{sub 10} metallic glass exposed to irradiation with 130 keV N{sup +} ions to the total fluencies of up to 2.5 x 10{sup 17} ions/cm{sup 2}. Using surface sensitive technique of Moessbauer spectrometry, traces of crystalline phases are found already in the as-quenched state after the sample production. On the air side of the ribbons, bcc-Fe dominates whereas on the opposite wheel side, also a presence of Fe{sub 3}O{sub 4} is unveiled. The amount of surface crystallization is higher on the wheel side of the ribbons. After ion irradiation, mostly the air side is affected because it was facing the incident ions. Gradual formation of iron nitrides is observed with increasing ion fluence. Though the radiation damage exhibits itself only at this side of the ribbons, its influence upon bulk magnetic properties is clearly identified by the help of magnetic measurements. Hysteresis loops exhibit changes in their shape as well as coercive field. Along with the formation of magnetic crystalline phases (bcc-Fe and nitrides), they are caused by structural rearrangement which takes place also inside the amorphous residual phase. Structural modifications are confirmed via evolution of hyperfine magnetic fields with ion fluence. Structural modification of the {sup 57}Fe{sub 81}Mo{sub 10}Cu{sub 1}B{sub 10} alloy caused by ion irradiation as demonstrated by microstructural (Moessbauer spectrometry (a,b)) and macroscopic (hysteresis loops (c,d)) measurements. As-quenched (a,c) and 2.5 x 10{sup 17} N{sup +}/cm{sup 2} irradiated (b,d) alloys are compared. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Beam Energy Scaling of Ion-Induced Electron Yield from K+ Ions Impact on Stainless Steel Surfaces

    CERN Document Server

    Kireeff-Covo, Michel; Barnard, John J; Bieniosek, Frank; Celata, C M; Cohen, Ronald; Friedman, Alex; Grote, D P; Kwan, Joe W; Lund, Steven M; Molvik, Arthur; Seidl, Peter; Vay, Jean-Luc; Vujic, Jasmina L; Westenskow, Glen

    2005-01-01

    The cost of accelerators for heavy-ion inertial fusion energy (HIF) can be reduced by using the smallest possible clearance between the beam and the wall from the beamline. This increases beam loss to the walls, generating ion-induced electrons that could be trapped by beam space charge potential into an "electron cloud," which can cause degradation or loss of the ion beam. In order to understand the physical mechanism of production of ion-induced electrons we have measured impact of K+ ions with energies up to 400 KeV on stainless steel surfaces near grazing incidence, using the ion source test stand (STS-500) at LLNL. The electron yield will be discussed and compared with experimental measurements from 1 MeV K+ ions in the High-Current Experiment at LBNL.*

  9. Asparagus cochinchinensis Extract Alleviates Metal Ion-Induced Gut Injury in Drosophila: An In Silico Analysis of Potential Active Constituents

    Directory of Open Access Journals (Sweden)

    Weiyu Zhang

    2016-01-01

    Full Text Available Metal ions and sulfate are components of atmospheric pollutants that have diverse ways of entering the human body. We used Drosophila as a model to investigate the effect of Asparagus cochinchinensis (A. cochinchinensis extracts on the gut and characterized gut homeostasis following the ingestion of metal ions (copper, zinc, and aluminum. In this study, we found that the aqueous A. cochinchinensis extract increased the survival rate, decreased epithelial cell death, and attenuated metal ion-induced gut morphological changes in flies following chronic exposure to metal ions. In addition, we screened out, by network pharmacology, six natural products (NPs that could serve as putative active components of A. cochinchinensis that prevented gut injury. Altogether, the results of our study provide evidence that A. cochinchinensis might be an effective phytomedicine for the treatment of metal ion-induced gut injury.

  10. Heavy-ion induced desorption yields of cryogenic surfaces bombarded with 4.2 MeV/u lead ions

    CERN Document Server

    Mahner, E; Evans, L; Kollmus, H; Küchler, D; Scrivens, R; Severin, D; Wengenroth, M; CERN. Geneva. ATS Department

    2011-01-01

    The ion-induced desorption experiment, installed in the CERN Heavy-Ion Accelerator LINAC 3, has been used to study the dynamic outgassing of cryogenic surfaces. Two different targets, bare and goldcoated copper, were bombarded under perpendicular impact with 4.2 MeV/u Pb54+ ions. Partial pressure rises of H2, CH4, CO, and CO2 and effective desorption yields were measured at 300, 77, and 6.3 K using single shot and continuous ion bombardment techniques. We find that the heavy-ion-induced desorption yield is temperature dependent and investigate the influence of CO gas cryosorbed at 6.3 K. The gain in desorption yield reduction at cryogenic temperature vanishes after several monolayers of CO are cryosorbed on both targets. In this paper we describe the new cryogenic target assembly, the temperature-dependent pressure rise, desorption yield, and gas adsorption measurements.

  11. Structure-activity relationship of Cr/Ti-PILC catalysts using a pre-modification method for NO oxidation and their surface species study.

    Science.gov (United States)

    Zhong, Lei; Yu, Yang; Cai, Wei; Geng, Xinxin; Zhong, Qin

    2015-06-14

    The performances of Cr/Ti-PILC catalysts, which were prepared by the pre-modification method, are studied for the selective catalytic oxidation of NO. The aim of this paper is to elucidate the detailed relationship between physical nanoparticle structure and chemical properties. The maximum NO conversion over the Cr-HP(3)/TP catalyst reached 71.4% at 280 °C. The catalysts were characterized by powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), temperature-programmed reduction of H2 (H2-TPR), temperature-programmed desorption (TPD) and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) techniques. The characterization results demonstrated that the enhanced catalytic activity was ascribed to several beneficial effects, which were caused by the pre-modification such as the inhibition of crystallite size, improvement of Cr species dispersion and increase of the amount of active sites. XPS and FTIR experiments indicated that two Cr(VI) species, oxidized state CrO3 and chromate species with the anionic form, were generated via pre-modification, which played different roles in the catalytic reaction. In addition, the TPR and TPD results suggest that the increased active sites (Cr(VI) species) were conducive for the preferential adsorption and activation of NO. Furthermore, DRIFTS results revealed that the intermediates, NO(+) and nitrates, interacted quickly to generate gaseous NO2.

  12. Structural modifications of Tilia cordata wood during heat treatment investigated by FT-IR and 2D IR correlation spectroscopy

    Science.gov (United States)

    Popescu, Maria-Cristina; Froidevaux, Julien; Navi, Parviz; Popescu, Carmen-Mihaela

    2013-02-01

    It is known that heat treatment of wood combined with a low percent of relative humidity causes transformations in the chemical composition of it. The modifications and/or degradation of wood components occur by hydrolysis, oxidation, and decarboxylation reactions. The aim of this study was to give better insights on wood chemical modifications during wood heat treatment under low temperature at about 140 °C and 10% percentage of relative humidity, by infrared, principal component analysis and two dimensional infrared correlation spectroscopy. For this purpose, hardwood samples of lime (Tilia cordata) were investigated and analysed. The infrared spectra of treated samples were compared with the reference ones, the most important differences being observed in the "fingerprint" region. Due to the complexity of this region, which have contributions from all the wood constituents the chemical changes during hydro-thermal treatment were examined in detail using principal component analysis and 2D IR correlation spectroscopy. By hydro-thermal treatment of wood results the formation of acetic acid, which catalyse the hydrolysis reactions of hemicelluloses and amorphous cellulose. The cleavage of the β-O-4 linkages and splitting of the aliphatic methoxyl chains from the aromatic lignin ring was also observed. For the first treatment interval, a higher extent of carbohydrates degradation was observed, then an increase of the extent of the lignin degradation also took place.

  13. Hydroimidazolone modification of the conserved Arg12 in small heat shock proteins: studies on the structure and chaperone function using mutant mimics.

    Directory of Open Access Journals (Sweden)

    Ram H Nagaraj

    Full Text Available Methylglyoxal (MGO is an α-dicarbonyl compound present ubiquitously in the human body. MGO reacts with arginine residues in proteins and forms adducts such as hydroimidazolone and argpyrimidine in vivo. Previously, we showed that MGO-mediated modification of αA-crystallin increased its chaperone function. We identified MGO-modified arginine residues in αA-crystallin and found that replacing such arginine residues with alanine residues mimicked the effects of MGO on the chaperone function. Arginine 12 (R12 is a conserved amino acid residue in Hsp27 as well as αA- and αB-crystallin. When treated with MGO at or near physiological concentrations (2-10 µM, R12 was modified to hydroimidazolone in all three small heat shock proteins. In this study, we determined the effect of arginine substitution with alanine at position 12 (R12A to mimic MGO modification on the structure and chaperone function of these proteins. Among the three proteins, the R12A mutation improved the chaperone function of only αA-crystallin. This enhancement in the chaperone function was accompanied by subtle changes in the tertiary structure, which increased the thermodynamic stability of αA-crystallin. This mutation induced the exposure of additional client protein binding sites on αA-crystallin. Altogether, our data suggest that MGO-modification of the conserved R12 in αA-crystallin to hydroimidazolone may play an important role in reducing protein aggregation in the lens during aging and cataract formation.

  14. Comparison of CO{2} laser and atmospheric plasma treatments on thermal stability and structural modifications of microporous poly(vinyl chloride)/Silica composites

    Science.gov (United States)

    Becker, C.; Etienne, S.; Bour, J.; Ruch, D.; Aubriet, F.

    2008-09-01

    Several ways using surface modification are commonly used to enhance thermal stability of polymer matrices. In this study, Continuous-Wave carbon dioxide (CW CO{2}) laser irradiation and atmospheric pressure non-thermal He plasma treatment on microporous poly(vinyl chlo-ride)/Silica composite have been investigated and compared. On one hand the alternative was based on the efficiency of the thermal energy afforded by CW CO{2} laser irradiation and induced photodegradation processes to release HCl and form polyene sequences under well-controlled condition. On the other hand atmospheric plasma treatment involved surface modification by formation of unstable radicals, inducing crosslinking and dehydrochlorination. In both cases a global thermal stabilization of the composite was noticed by partial dehydrochlorination of PVC, even for short exposure time. The main effects observed after laser irradiation were related to the formation of a very dense structure on surface with very low chlorine content and an important chlorine atoms in-depth gradient on the cross section up to 150 μm in thickness; whereas atmospheric He plasma treatment led to a homogeneous decrease of the chlorine in-depth content due to the plasma interpenetration in the porous microstructure. Structural and chemical modifications both on extreme surface and in the thickness have been investigated respectively by Environmental Scanning Electron Microscope (ESEM) coupled with an Energy Dispersive X-ray analysis (EDX) and X-ray Photoelectron Spectroscopy (XPS). Composites thermal stability and investigation on chlorine release have been evaluated by Thermo Gravimetric Analysis (TGA) coupled with Mass Spectrometry (MS).

  15. Thermo-chemical structure of the North China Craton from multi-observable probabilistic inversion: extent and causes of cratonic lithosphere modification

    Science.gov (United States)

    Guo, Z.; Afonso, J. C.; Qashqai, M.; Yang, Y.; Chen, J.

    2016-12-01

    Although the North China Craton (NCC) is one of the best documented cases of cratonic lithosphere modification, the actual causes, processes, and extent of lithospheric modification still are a matter of debate. Here, we present the first thermo-chemical model of the NCC from the surface down to 350 km by jointly inverting surface wave phase velocity data, geoid height, surface heat flow and absolute elevation with a novel multi-observable probabilistic inversion method. Our model reveals a thin ( 65-100 km) and chemically fertile lithosphere (8790) lithospheric mantle is imaged beneath the central TNCO and Ordos Block, reaching depths > 260 km. This lithospheric "keel" is surrounded to the east by a high-temperature sublithospheric anomaly that originates at depths > 280 km. The spatial distribution of this anomaly and its correlation with the location of recent volcanism in the region suggest that the anomaly represents a deep mantle upwelling being diverted by the cratonic keel and spreading onto regions of shallow lithosphere. Our results indicate that the present-day thermochemical structure beneath the NCC is the result of a complex interaction between a large-scale return flow associated with the subduction of the Pacific slab and the shallow lithospheric structure.

  16. Modifications of the chemical structure of phenolics differentially affect physiological activities in pulvinar cells of Mimosa pudica L. I. Multimode effect on early membrane events.

    Science.gov (United States)

    Rocher, Françoise; Dédaldéchamp, Fabienne; Saeedi, Saed; Fleurat-Lessard, Pierrette; Chollet, Jean-Francois; Roblin, Gabriel

    2014-11-01

    A study of the structure-activity relationship carried out on several benzoic acid-related phenolics indicates that this type of compounds hinders the osmocontractile reaction of pulvinar cells in the range of 0-100%. Tentatively, we tried to find a way that could explain this differential action. With this aim, the relationship between the inhibitory effect and important molecular physico-chemical parameters (namely lipophilicity and degree of dissociation) was drawn. In addition, the effect of a variety of these compounds was investigated on their capacity to modify the electrical transmembrane potential and induce modifications in proton fluxes. Finally, using plasma membrane vesicles purified from pulvinar tissues, we examined the effects of some selected compounds on the proton pump activity and catalytic activity of the plasma membrane H(+)-ATPase. Taken together, the results indicate that a modification of the molecular structure of phenolics may induce important variation in the activity of the compound on these early membrane events. Among the tested phenolics, salicylic acid (SA) and acetylsalicylic acid (ASA, aspirin) are of particuler note, as they showed atypical effects on the physiological processes studied. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  17. Femtosecond laser-induced modification of potassium-magnesium silicate glasses: An analysis of structural changes by near edge x-ray absorption spectroscopy

    Science.gov (United States)

    Seuthe, T.; Höfner, M.; Reinhardt, F.; Tsai, W. J.; Bonse, J.; Eberstein, M.; Eichler, H. J.; Grehn, M.

    2012-05-01

    The effects of femtosecond laser pulse irradiation on the glass structure of alkaline silicate glasses were investigated by x-ray absorption near edge structure spectroscopy using the beamline of the Physikalisch-Technische Bundesanstalt at the electron synchrotron BESSY II in Berlin (Germany) by analyzing the magnesium K-edge absorption peak for different laser fluences. The application of fluences above the material modification threshold (2.1 J/cm2) leads to a characteristic shift of ˜1.0 eV in the K-edge revealing a reduced (˜3%) mean magnesium bond length to the ligated oxygen ions (Mg-O) along with a reduced average coordination number of the Mg ions.

  18. Organic Crystals with Near-Infrared Amplified Spontaneous Emissions Based on 2'-Hydroxychalcone Derivatives: Subtle Structure Modification but Great Property Change.

    Science.gov (United States)

    Cheng, Xiao; Wang, Kai; Huang, Shuo; Zhang, Houyu; Zhang, Hongyu; Wang, Yue

    2015-07-13

    A series of highly efficient deep red to near-infrared (NIR) emissive organic crystals 1-3 based on the structurally simple 2'-hydroxychalcone derivatives were synthesized through a simple one-step condensation reaction. Crystal 1 displays the highest quantum yield (Φf) of 0.32 among the reported organic single crystals with an emission maximum (λem) over 710 nm. Comparison between the bright emissive crystals 1-3 and the nearly nonluminous compounds 4-7 clearly gives evidence that a subtle structure modification can arouse great property changes, which is instructive in designing new high-efficiency organic luminescent materials. Notably, crystals 1-3 exhibit amplified spontaneous emissions (ASE) with extremely low thresholds. Thus, organic deep red to NIR emissive crystals with very high Φf have been obtained and are found to display the first example of NIR fluorescent crystal ASE.

  19. Effects of surface modification on the mechanical and structural properties of nanofibrous poly(ε-caprolactone)/forsterite scaffold for tissue engineering applications

    Energy Technology Data Exchange (ETDEWEB)

    Kharaziha, M., E-mail: Kharaziha.ma@yahoo.com [Biomaterials Research Group, Department of Materials Engineering, Isfahan University of Technology, Isfahan 8415683111 (Iran, Islamic Republic of); Department of Materials Engineering, Isfahan University of Technology, Isfahan 8415683111 (Iran, Islamic Republic of); Fathi, M.H. [Biomaterials Research Group, Department of Materials Engineering, Isfahan University of Technology, Isfahan 8415683111 (Iran, Islamic Republic of); Dental Materials Research Center, Isfahan University of Medical Sciences, Isfahan (Iran, Islamic Republic of); Edris, H. [Biomaterials Research Group, Department of Materials Engineering, Isfahan University of Technology, Isfahan 8415683111 (Iran, Islamic Republic of); Department of Materials Engineering, Isfahan University of Technology, Isfahan 8415683111 (Iran, Islamic Republic of)

    2013-12-01

    Composite scaffolds consisting of polymers reinforced with ceramic nanoparticles are widely applied for hard tissue engineering. However, due to the incompatible polarity of ceramic nanoparticles with polymers, they tend to agglomerate in the polymer matrix which results in undesirable effects on the integral properties of composites. In this research, forsterite (Mg{sub 2}SiO{sub 4}) nanoparticles was surface esterified by dodecyl alcohol and nanofibrous poly(ε-caprolactone)(PCL)/modified forsterite scaffolds were developed through electrospinning technique. The aim of this research was to investigate the properties of surface modified forsterite nanopowder and PCL/modified forsterite scaffolds, before and after hydrolytic treatment, as well as the cellular attachment and proliferation. Results demonstrated that surface modification of nanoparticles significantly enhanced the tensile strength and toughness of scaffolds upon 1.5- and 4-folds compared to unmodified samples, respectively, due to improved compatibility between matrix and filler. Hydrolytic treatment of scaffolds also modified the bioactivity and cellular attachment and proliferation due to greatly enhanced hydrophilicity of the forsterite nanoparticles after this process compared to surface modified samples. Results suggested that surface modification of forsterite nanopowder and hydrolytic treatment of the developed scaffolds were effective approaches to address the issues in the formation of composite fibers and resulted in development of bioactive composite scaffolds with ideal mechanical and structural properties for bone tissue engineering applications. - Highlights: • Forsterite nanopowder was surface modified with dodecyl alcohol. • Nanofibrous PCL/forsterite scaffolds were developed through electrospinning. • Composite scaffolds were treated in boiled water to remove the dodecyl chains. • Surface modification resulted in improved mechanical properties. • Hydrolytic treatment

  20. Reduction of structural inhomogeneity of 35GL alloys through modification by means of electric emission current in the process of crystallization

    Directory of Open Access Journals (Sweden)

    Олена Миколаївна Жбанова

    2017-07-01

    Full Text Available The method of a crystallizing alloy processing which makes it possible to obtain high-quality castings from 35GL steel has been considered. It has been shown that the electro impulse treatment of the melt improves the structure and reduces the physical heterogeneity of the castings. Processing of the melt with a current substantially increases the dissolution rate of metallic impurities and other components in the melt, provides a fine-grained structure, increases the homogeneity of the cast metal as well. The structural heterogeneity decreases as a result of the change in morphology and disorientation and as a result of manganese carbides grinding the size and quantity of the grain ball decrease from 7 to 8. Physical heterogeneity reduces due to the changes in the location and size of pores and nonmetallic inclusions; the content of gases and non-metallic inclusions reduces as well. In this article, studies of the modification of certain parameters by the electric impulse current, have been made. It results in a significant increase in the basic mechanical properties of the 35GL cast structural steel: the tensile strength increases by 9%, the toughness increases by 21%, and the hardness by 6% without changing the chemical composition of the steel, due to the fine grain structure

  1. Role of hydroxylation modification on the structure and property of reduced graphene oxide/TiO2 hybrids

    Science.gov (United States)

    Cao, Shiyi; Liu, Tiangui; Tsang, Yuenhong; Chen, Chuansheng

    2016-09-01

    To extend the spectra response of TiO2 and enhance its photocatalytic activity, surface modification and catalyst supporter have attracted great attention. In this report, a simple and versatile approach has been developed to hydroxylate the reduced graphene oxide/TiO2 hybrids (OH-rGO/TiO2) by UV-microwave method, and the enhanced mechanisms of hydroxylation were analyzed in details. Experimental results show that TiO2 nanocrystals@OH-TiO2 heterojunctions formed on rGO sheets in situ by UV/H2O2 process. Hydroxylation not only can induce many surface defects (Ti3+, O vacancy and Ti-OH) on the surface of TiO2, but also change the color into yellow and strengthen the interaction between rGO and TiO2. OH-rGO/TiO2 hybrids showed excellent durability for high-concentration dyes, and exhibited strong adsorbability and photocatalytic activity. These enhancements are attributed to the excellent property of rGO and surface defects of TiO2 induced by hydroxylation, which expand the light absorption up to 600 nm, benefit to the self-dispersion of hybrids, and improve the adsorption dynamic and charge transfer with lower carrier's recombination.

  2. Modification of structure and pattern of lipid monolayer on water and solid surfaces in presence of globular protein

    Science.gov (United States)

    Sah, Bijay Kumar; Kundu, Sarathi

    2017-05-01

    Langmuir monolayers of phospholipids at the air-water interface are well-established model systems for mimicking biological membranes and hence are useful for studying lipid-protein interactions. In the present work, phases and phase transformations occurring in the lipid (DMPA) monolayer in the presence of globular protein (BSA) at neutral subphase pH (≈7.0) are highlighted and the corresponding in-plane pattern and morphology are explored from the surface pressure (π) - specific molecular area (A) isotherm, Brewster angle microscopy (BAM) and atomic force microscopy (AFM) both at air-water and air-solid interfaces. Films of pure lipid and lipid-protein complexes are deposited on solid surfaces by Langmuir-Blodgett method. Due to the presence of BSA molecules, phases and domain pattern changes in comparison with that of the pure DMPA. Moreover, accumulations of globular proteins in between lipid domains are also visible through BAM. AFM shows that the mixed film has relatively bigger globular-like morphology in comparison with that of pure DMPA domains. Combination of electrostatic and hydrophobic interactions between protein and lipid are responsible for such modifications.

  3. Modification of the structure and properties of gradient nanocrystalline coatings Ti-Al-Si-Cu-N by annealing in vacuum

    Science.gov (United States)

    Ovchinnikov, Stanislav; Pinzhin, Yurii

    2016-11-01

    The nanocrystalline gradient coatings system Ti-Al-Si-Cu-N were annealed in the temperature range of 500- 1100°C. Their composition, structure, and mechanical properties were studied by methods of scanning and transmission electron microscopy, scratch test, and measurement of nanohardness. It is shown that the diffusion of substrate elements has a crucial impact on the heat-activated processes of structure recovery, the growth of crystal size and the properties of materials. This results in nanocomposite structure with high adhesion characteristics of the coatings.

  4. Studies on effects of ionizing irradiation to structural modification of Carbohydrate-complex under each radiation sources

    Energy Technology Data Exchange (ETDEWEB)

    Lim, S. T.; Lee, J. H.; Kim, H. N.; Baik, B. Y.; Lee, S. Y

    2009-02-15

    The structural changes of starches were occurred by irradiation. Purposes of this study were to reveal the mechanism of irradiation with gamma ray effects on the structural changes of starches. As the irradiation dose increased, molecular weight of starch molecules and viscosity of starches decreased. However, crystalline structure didn't affected by irradiation. Under the low moisture contents(5%), structural changes(molecular degradation and reduction of digestibility) were severe. At pH 8 or 5% salt concentration, reduction of molecular weight, viscosity, gelation and retrogradation rate were examined. Cross linked starches exhibited the pasting properties and increasing viscosity in proportional to irradiation dose. No changes on crystalline region in starches could be confirmed by results of melting enthalpy. It could be suggested the novel starches which were resistant starches having pasting properties were produced by irradiation.

  5. Modification of Structure and Strength Properties of Permanent Joints Under Laser Beam Welding with Application of Nanopowder Modifiers

    Science.gov (United States)

    Cherepanov, A. N.; Orishich, A. M.; Malikov, A. G.; Ovcharenko, V. E.

    2016-08-01

    In the paper we present the results of experimental study of specially prepared nanosize metal-ceramic compositions impact upon structure, microhardness and mechanical properties of permanent joints produced by laser-beam welding of steel and titanium alloy plates.

  6. Magnetic ordering and exchange interactions in structural modifications of M n3Ga alloys: Interplay of frustration, atomic order, and off-stoichiometry

    Science.gov (United States)

    Khmelevskyi, Sergii; Ruban, Andrei V.; Mohn, Peter

    2016-05-01

    Mn-Ga alloys close to the M n3Ga stoichiometry can be synthesized in three different crystal modifications: hexagonal, tetragonal, and face-centered cubic, both in bulk and in thin-film forms. The magnetic ordering of these modifications is varying from noncollinear antiferromagnetic in the hexagonal case to ferrimagnetic order in the tetragonal one, whereas it is still unknown for the atomically disordered fcc structure. Here we study the onset of magnetic order at finite temperatures in these systems on a first-principles basis calculating the interatomic magnetic exchange interactions in the high-temperature paramagnetic regime. We employ the disordered local moment formalism and the magnetic force theorem within the framework of the local spin-density approximation and Monte Carlo simulations taking also the effects of atomic disorder in fcc alloys into account. In particular we find the origin of the stabilization of the noncollinear 3 k structure in competition between antiferromagnetic inter- and in-plane couplings of frustrated kagome planes in hexagonal M n3Ga and predict the antiferromagnetic-1 collinear order due to frustration in fcc alloys. Special attention is paid to the effects of the off-stoichiometry and the consequences of atomic disorder. We calculate the site-preference energy of Ga antisite atoms in the tetragonal structures in the range of the compositions from M n3Ga to M n2Ga and slightly beyond and confirm the earlier explanation of the effect of magnetization increase due to Ga preferentially occupying one of the Mn sites.

  7. Structural characterization of the N-terminal mineral modification domains from the molluscan crystal-modulating biomineralization proteins, AP7 and AP24.

    Science.gov (United States)

    Wustman, Brandon A; Morse, Daniel E; Evans, John Spencer

    2004-08-05

    The AP7 and AP24 proteins represent a class of mineral-interaction polypeptides that are found in the aragonite-containing nacre layer of mollusk shell (H. rufescens). These proteins have been shown to preferentially interfere with calcium carbonate mineral growth in vitro. It is believed that both proteins play an important role in aragonite polymorph selection in the mollusk shell. Previously, we demonstrated the 1-30 amino acid (AA) N-terminal sequences of AP7 and AP24 represent mineral interaction/modification domains in both proteins, as evidenced by their ability to frustrate calcium carbonate crystal growth at step edge regions. In this present report, using free N-terminal, C(alpha)-amide "capped" synthetic polypeptides representing the 1-30 AA regions of AP7 (AP7-1 polypeptide) and AP24 (AP24-1 polypeptide) and NMR spectroscopy, we confirm that both N-terminal sequences possess putative Ca (II) interaction polyanionic sequence regions (2 x -DD- in AP7-1, -DDDED- in AP24-1) that are random coil-like in structure. However, with regard to the remaining sequences regions, each polypeptide features unique structural differences. AP7-1 possesses an extended beta-strand or polyproline type II-like structure within the A11-M10, S12-V13, and S28-I27 sequence regions, with the remaining sequence regions adopting a random-coil-like structure, a trait common to other polyelectrolyte mineral-associated polypeptide sequences. Conversely, AP24-1 possesses random coil-like structure within A1-S9 and Q14-N16 sequence regions, and evidence for turn-like, bend, or loop conformation within the G10-N13, Q17-N24, and M29-F30 sequence regions, similar to the structures identified within the putative elastomeric proteins Lustrin A and sea urchin spicule matrix proteins. The similarities and differences in AP7 and AP24 N-terminal domain structure are discussed with regard to joint AP7-AP24 protein modification of calcium carbonate growth.

  8. Effects of surface modification on the mechanical and structural properties of nanofibrous poly(ε-caprolactone)/forsterite scaffold for tissue engineering applications.

    Science.gov (United States)

    Kharaziha, M; Fathi, M H; Edris, H

    2013-12-01

    Composite scaffolds consisting of polymers reinforced with ceramic nanoparticles are widely applied for hard tissue engineering. However, due to the incompatible polarity of ceramic nanoparticles with polymers, they tend to agglomerate in the polymer matrix which results in undesirable effects on the integral properties of composites. In this research, forsterite (Mg2SiO4) nanoparticles was surface esterified by dodecyl alcohol and nanofibrous poly(ε-caprolactone)(PCL)/modified forsterite scaffolds were developed through electrospinning technique. The aim of this research was to investigate the properties of surface modified forsterite nanopowder and PCL/modified forsterite scaffolds, before and after hydrolytic treatment, as well as the cellular attachment and proliferation. Results demonstrated that surface modification of nanoparticles significantly enhanced the tensile strength and toughness of scaffolds upon 1.5- and 4-folds compared to unmodified samples, respectively, due to improved compatibility between matrix and filler. Hydrolytic treatment of scaffolds also modified the bioactivity and cellular attachment and proliferation due to greatly enhanced hydrophilicity of the forsterite nanoparticles after this process compared to surface modified samples. Results suggested that surface modification of forsterite nanopowder and hydrolytic treatment of the developed scaffolds were effective approaches to address the issues in the formation of composite fibers and resulted in development of bioactive composite scaffolds with ideal mechanical and structural properties for bone tissue engineering applications.

  9. Extensive Chemical Modifications in the Primary Protein Structure of IgG1 Subvisible Particles Are Necessary for Breaking Immune Tolerance.

    Science.gov (United States)

    Boll, Björn; Bessa, Juliana; Folzer, Emilien; Ríos Quiroz, Anacelia; Schmidt, Roland; Bulau, Patrick; Finkler, Christof; Mahler, Hanns-Christian; Huwyler, Jörg; Iglesias, Antonio; Koulov, Atanas V

    2017-04-03

    A current concern with the use of therapeutic proteins is the likely presence of aggregates and submicrometer, subvisible, and visible particles. It has been proposed that aggregates and particles may lead to unwanted increases in the immune response with a possible impact on safety or efficacy. The aim of this study was thus to evaluate the ability of subvisible particles of a therapeutic antibody to break immune tolerance in an IgG1 transgenic mouse model and to understand the particle attributes that might play a role in this process. We investigated the immunogenic properties of subvisible particles (unfractionated, mixed populations, and well-defined particle size fractions) using a transgenic mouse model expressing a mini-repertoire of human IgG1 (hIgG1 tg). Immunization with proteinaceous subvisible particles generated by artificial stress conditions demonstrated that only subvisible particles bearing very extensive chemical modifications within the primary amino acid structure could break immune tolerance in the hIgG1 transgenic mouse model. Protein particles exhibiting low levels of chemical modification were not immunogenic in this model.

  10. Structural characterization of the high-temperature modification of the Cu{sub 2}ZnGeTe{sub 4} quaternary semiconductor compound

    Energy Technology Data Exchange (ETDEWEB)

    Nieves, L.; Marcano, G.; Power, C.; Rincon, C. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida, 5101 (Venezuela, Bolivarian Republic of); Delgado, G.E. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida, 5101 (Venezuela, Bolivarian Republic of); Lopez-Rivera, S.A. [Grupo de Fisica Aplicada, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida, 5101 (Venezuela, Bolivarian Republic of)

    2016-06-15

    A combined study of the X-ray powder diffraction, differential thermal analysis, optical absorption, and Raman spectroscopy of the high-temperature modification of Cu{sub 2}ZnGeTe{sub 4} quaternary semiconductor, obtained by fast quenching from 820 K to ice water temperature, has been done. It has been found that this phase crystallizes in a tetragonal kesterite-type structure. From the analysis of the absorption coefficient spectra, the band gap energy of this material at room temperature has been found to be 1.49 eV. An optical transition from defect acceptor states to the conduction band is also observed below the fundamental absorption edge. Three strongest Raman lines observed at 116, 119, and 139 cm{sup -1} have been assigned to the A-symmetry modes. Also, lines at 81, 89, 97, and 263 cm{sup -1} tentatively ascribed as B or E-symmetry modes have been detected from the spectrum. The presence in this high-temperature modification of ZnTe and Cu{sub 2}GeTe{sub 3} secondary phases has been detected by both XRD and Raman spectroscopy. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. O-antigen structure of Shigella flexneri serotype Yv and effect of the lpt-O gene variation on phosphoethanolamine modification of S. flexneri O-antigens.

    Science.gov (United States)

    Knirel, Yuriy A; Lan, Ruiting; Senchenkova, Sof'ya N; Wang, Jianping; Shashkov, Alexander S; Wang, Yan; Perepelov, Andrei V; Xiong, Yanwen; Xu, Jianguo; Sun, Qiangzheng

    2013-04-01

    Shigella flexneri is the major human pathogen causing shigellosis. O-antigens of all S. flexneri serotypes (except for serotype 6) share the →2)-α-l-Rhap(III)-(1 → 2)-α-l-Rhap(II)-(1 → 3)-α-l-Rhap(I)-(1 → 3)-β-d-GlcpNAc-(1→ basic O-unit, whereas differences between the serotypes are conferred by phage-encoded glucosylation and/or O-acetylation at various positions. Recently, in serotype X and 4a variants called Xv and 4av, respectively, O-antigen modification with phosphoethanolamine (PEtN) has been identified, which is encoded by a plasmid-borne gene (lpt-O) for a PEtN-transferase and confers the monoclonal antibody IV-1(MASF IV-1) determinant to the bacteria. In this study, we elucidated the O-antigen structure of serotype Yv, another MASF IV-1-positive novel variant of S. flexneri. The serotype Yv O-antigen has the same basic carbohydrate backbone structure as that of the "classical" serotype Y, but differs in the presence of PEtN at position 3 of Rha(III) (major) or both Rha(II) and Rha(III) (minor). This pattern is similar to that of serotype 4av, but different from the pattern of serotype Xv, which is characterized by major PEtN modification on Rha(II). In serotype Yv, mono- and bisphosphorylated O-units generate a block-copolymeric structure, the former being partially O-acetylated at position 6 of GlcNAc and the latter lacking O-acetylation. Functional analysis revealed a correlation between the serotype-specific PEtN modification pattern and the lpt-O variation in different serotypes: lpt-O(RII) in serotype Xv is better tuned for phosphorylation of Rha(II) and lpt-O(RIII) in serotypes Yv and 4av for phosphorylation of Rha(III). These data enhance our knowledge of S. flexneri serotype conversion mechanisms and help to understand the biosynthesis process of the new O-antigen variants.

  12. Enhancement of cell growth on honeycomb-structured polylactide surface using atmospheric-pressure plasma jet modification

    Science.gov (United States)

    Cheng, Kuang-Yao; Chang, Chia-Hsing; Yang, Yi-Wei; Liao, Guo-Chun; Liu, Chih-Tung; Wu, Jong-Shinn

    2017-02-01

    In this paper, we compare the cell growth results of NIH-3T3 and Neuro-2A cells over 72 h on flat and honeycomb structured PLA films without and with a two-step atmospheric-pressure nitrogen-based plasma jet treatment. We developed a fabrication system used for forming of a uniform honeycomb structure on PLA surface, which can produce two different pore sizes, 3-4 μm and 7-8 μm, of honeycomb pattern. We applied a previously developed nitrogen-based atmospheric-pressure dielectric barrier discharge (DBD) jet system to treat the PLA film without and with honeycomb structure. NIH-3T3 and a much smaller Neuro-2A cells were cultivated on the films under various surface conditions. The results show that the two-step plasma treatment in combination with a honeycomb structure can enhance cell growth on PLA film, should the cell size be not too smaller than the pore size of honeycomb structure, e.g., NIH-3T3. Otherwise, cell growth would be better on flat PLA film, e.g., Neuro-2A.

  13. Temperature and Magnetic Field Driven Modifications in the I-V Features of Gold-DNA-Gold Structure

    Directory of Open Access Journals (Sweden)

    Nadia Mahmoudi Khatir

    2014-10-01

    Full Text Available The fabrication of Metal-DNA-Metal (MDM structure-based high sensitivity sensors from DNA micro-and nanoarray strands is a key issue in their development. The tunable semiconducting response of DNA in the presence of external electromagnetic and thermal fields is a gift for molecular electronics. The impact of temperatures (25–55 °C and magnetic fields (0–1200 mT on the current-voltage (I-V features of Au-DNA-Au (GDG structures with an optimum gap of 10 μm is reported. The I-V characteristics acquired in the presence and absence of magnetic fields demonstrated the semiconducting diode nature of DNA in GDG structures with high temperature sensitivity. The saturation current in the absence of magnetic field was found to increase sharply with the increase of temperature up to 45 °C and decrease rapidly thereafter. This increase was attributed to the temperature-assisted conversion of double bonds into single bond in DNA structures. Furthermore, the potential barrier height and Richardson constant for all the structures increased steadily with the increase of external magnetic field irrespective of temperature variations. Our observation on magnetic field and temperature sensitivity of I-V response in GDG sandwiches may contribute towards the development of DNA-based magnetic sensors.

  14. Tetragonal-strain-induced local structural modifications in InAsxP1-x/InP superlattices: A detailed x-ray-absorption investigation

    Science.gov (United States)

    Pascarelli, S.; Boscherini, F.; Lamberti, C.; Mobilio, S.

    1997-07-01

    We report a comprehensive investigation of the local structure around As in thin InAsxP1-x strained layers in InAsxP1-x/InP superlattices by fluorescence-detected x-ray-absorption fine structure; seven superlattice samples are studied as a function of composition, and compared to six unstrained, bulk samples of similar composition. Contributions up to the third coordination shell around As are clearly visible in the spectra, and are analyzed taking into account important multiple-scattering contributions. Results show that structural modifications due to tetragonal distortion appear mainly in the second and third coordination shells, while nearest-neighbor bond lengths remain closer to the values in unstrained bulk alloys. This implies that in semiconductor alloys tetragonal strain accommodation is mainly obtained through bond-angle distortions, in analogy to the situation in bulk pseudobinary alloys. A model which combines macroscopic elastic theory and the known local structure in bulk pseudobinary alloys is presented, and is found to fit the data very well.

  15. Structure of Type IIL Restriction-Modification Enzyme MmeI in Complex with DNA Has Implications for Engineering New Specificities.

    Science.gov (United States)

    Callahan, Scott J; Luyten, Yvette A; Gupta, Yogesh K; Wilson, Geoffrey G; Roberts, Richard J; Morgan, Richard D; Aggarwal, Aneel K

    2016-04-01

    The creation of restriction enzymes with programmable DNA-binding and -cleavage specificities has long been a goal of modern biology. The recently discovered Type IIL MmeI family of restriction-and-modification (RM) enzymes that possess a shared target recognition domain provides a framework for engineering such new specificities. However, a lack of structural information on Type IIL enzymes has limited the repertoire that can be rationally engineered. We report here a crystal structure of MmeI in complex with its DNA substrate and an S-adenosylmethionine analog (Sinefungin). The structure uncovers for the first time the interactions that underlie MmeI-DNA recognition and methylation (5'-TCCRAC-3'; R = purine) and provides a molecular basis for changing specificity at four of the six base pairs of the recognition sequence (5'-TCCRAC-3'). Surprisingly, the enzyme is resilient to specificity changes at the first position of the recognition sequence (5'-TCCRAC-3'). Collectively, the structure provides a basis for engineering further derivatives of MmeI and delineates which base pairs of the recognition sequence are more amenable to alterations than others.

  16. Grain boundary barrier modification due to coupling effect of crystal polar field and water molecular dipole in ZnO-based structures

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Xu; Zhu, Yuan, E-mail: zhuy9@mail.sysu.edu, E-mail: phzktang@ust.hk; Chen, Mingming; Su, Longxing; Chen, Anqi; Zhao, Chengchun; Gui, Xuchun; Xiang, Rong; Huang, Feng [State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics and Engineering, Sun Yat-Sen University, Guangzhou 510275 (China); Tang, Zikang, E-mail: zhuy9@mail.sysu.edu, E-mail: phzktang@ust.hk [State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics and Engineering, Sun Yat-Sen University, Guangzhou 510275 (China); Department of Physics, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong)

    2014-06-16

    Surface water molecules induced grain boundaries (GBs) barrier modification was investigated in ZnO and ZnMgO/ZnO films. Tunable electronic transport properties of the samples by water were characterized via a field effect transistor (FET) device structure. The FETs fabricated from polar C-plane ZnO and ZnMgO/ZnO films that have lots of GBs exhibited obvious double Schottky-like current-voltage property, whereas that fabricated from nonpolar M-plane samples with GBs and ZnO bulk single-crystal had no obvious conduction modulation effects. Physically, these hallmark properties are supposed to be caused by the electrostatical coupling effect of crystal polar field and molecular dipole on GBs barrier.

  17. Impact of Fe on structural modification and room temperature magnetic ordering in BaTiO3

    Science.gov (United States)

    Rajan, Soumya; Gazzali, P. M. Mohammed; Chandrasekaran, G.

    2017-01-01

    Ba1 - xFexTiO3 (x = 0, 0.005, 0.01) polycrystalline ceramics are prepared using solid state reaction method. Structural studies through XRD, Raman and XPS confirm single tetragonal phase for BaTiO3 whereas a structural disorder tends to intervene with the introduction of smaller Fe ions which reduces the tolerance factor and tetragonality ratio. Grain size of the samples is estimated using SEM micrographs with ImageJ software and chemical composition is confirmed using EDX spectra. Raman spectra measured in the temperature range of 303 K to 573 K showers light on the structural phase transition exploiting a significant disappearance of the 306 cm- 1 mode. Further, structural analyses suggest the entry of Fe into the B-site upon increasing its concentration in BaTiO3. The dopant sensitive modes lying at around 640 cm- 1 and 650 cm- 1 are assigned to lattice strain. A reduction in ferroelectric to paraelectric transition temperature is observed with a transformation from diffused type to normal ferroelectric upon the increased Fe content. The oxidation state of Fe in the BaTiO3 lattice has been decided using EPR Spectra precisely. Room temperature magnetic ordering is observed in Fe substituted BaTiO3 using PPMS. The coexistence of ferroelectric and magnetic ordering is established in the present study for optimized Fe substituted BaTiO3.

  18. 10-hydroxybenzo[h]quinoline: Switching between single and double-well proton transfer through structural modifications

    DEFF Research Database (Denmark)

    Hristova, S; Dobrikov, G; Kamounah, F. S.;

    2015-01-01

    Proton transfer in 10-hydroxybenzo[h]quinoline (HBQ) and structurally modified compounds was investigated experimentally (steady state UV-Vis absorption and emission spectroscopy, NMR and advanced chemometric techniques) and theoretically (DFT and TD-DFT M06-2X/TZVP calculations) in the ground...

  19. Modification of potato starch granule structure and morphology in planta by expression of starch binding domain fusion proteins

    NARCIS (Netherlands)

    Huang, X.

    2010-01-01

    Producing starches with altered composition, structure and novel physico-chemical properties in planta by manipulating the enzymes which are involved in starch metabolism or (over)expressing heterologous enzymes has huge advantages such as broadening the range of starch applications and reducing the

  20. Aerosol charging state at an urban site: new analytical approach and implications for ion-induced nucleation

    Directory of Open Access Journals (Sweden)

    S. Gagné

    2012-05-01

    Full Text Available The charging state of aerosol populations was determined using an Ion-DMPS in Helsinki, Finland between December 2008 and February 2010. We extrapolated the charging state and calculated the ion-induced nucleation fraction to be around 1.3 % ± 0.4 % at 2 nm and 1.3 % ± 0.5 % at 1.5 nm, on average. We present a new method to retrieve the average charging state for a new particle formation event, at a given size and polarity. We improve the uncertainty assessment and fitting technique used previously with an Ion-DMPS. We also use a new theoretical framework that allows for different concentrations of small ions for different polarities (polarity asymmetry. We extrapolate the ion-induced fraction using polarity symmetry and asymmetry. Finally, a method to calculate the growth rates from the behaviour of the charging state as a function of the particle diameter using polarity symmetry and asymmetry is presented and used on a selection of new particle formation events.

  1. Functional and structural comparison of pyrrolnitrin- and iprodione-induced modifications in the class III histidine-kinase Bos1 of Botrytis cinerea.

    Directory of Open Access Journals (Sweden)

    Sabine Fillinger

    Full Text Available Dicarboximides and phenylpyrroles are commonly used fungicides against plant pathogenic ascomycetes. Although their effect on fungal osmosensing systems has been shown in many studies, their modes-of-action still remain unclear. Laboratory- or field-mutants of fungi resistant to either or both fungicide categories generally harbour point mutations in the sensor histidine kinase of the osmotic signal transduction cascade.In the present study we compared the mechanisms of resistance to the dicarboximide iprodione and to pyrrolnitrin, a structural analogue of phenylpyrrole fungicides, in Botrytis cinerea. Pyrrolnitrin-induced mutants and iprodione-induced mutants of B. cinerea were produced in vitro. For the pyrrolnitrin-induced mutants, a high level of resistance to pyrrolnitrin was associated with a high level of resistance to iprodione. For the iprodione-induced mutants, the high level of resistance to iprodione generated variable levels of resistance to pyrrolnitrin and phenylpyrroles. All selected mutants showed hypersensitivity to high osmolarity and regardless of their resistance levels to phenylpyrroles, they showed strongly reduced fitness parameters (sporulation, mycelial growth, aggressiveness on plants compared to the parental phenotypes. Most of the mutants presented modifications in the osmosensing class III histidine kinase affecting the HAMP domains. Site directed mutagenesis of the bos1 gene was applied to validate eight of the identified mutations. Structure modelling of the HAMP domains revealed that the replacements of hydrophobic residues within the HAMP domains generally affected their helical structure, probably abolishing signal transduction. Comparing mutant phenotypes to the HAMP structures, our study suggests that mutations perturbing helical structures of HAMP2-4 abolish signal-transduction leading to loss-of-function phenotype. The mutation of residues E529, M427, and T581, without consequences on HAMP structure

  2. Reverse osmosis membrane composition, structure and performance modification by bisulphite, iron(III), bromide and chlorite exposure.

    Science.gov (United States)

    Ferrer, O; Gibert, O; Cortina, J L

    2016-10-15

    Reverse osmosis (RO) membrane exposure to bisulphite, chlorite, bromide and iron(III) was assessed in terms of membrane composition, structure and performance. Membrane composition was determined by Rutherford backscattering spectrometry (RBS) and membrane performance was assessed by water and chloride permeation, using a modified version of the solution-diffusion model. Iron(III) dosage in presence of bisulphite led to an autooxidation of the latter, probably generating free radicals which damaged the membrane. It comprised a significant raise in chloride passage (chloride permeation coefficient increased 5.3-5.1 fold compared to the virgin membrane under the conditions studied) rapidly. No major differences in terms of water permeability and membrane composition were observed. Nevertheless, an increase in the size of the network pores, and a raise in the fraction of aggregate pores of the polyamide (PA) layer were identified, but no amide bond cleavage was observed. These structural changes were therefore, in accordance with the transport properties observed.

  3. [Structural modifications of the surface of Escherichia coli bacteria and copper-induced permeability of plasma membrane].

    Science.gov (United States)

    Lebedev, V S; Volodina, L A; Deĭnega, E Iu; Fedorov, Iu I

    2005-01-01

    The effect of Cu2+ on the structural organization of the cell surface of Escherichia coli bacteria during the induction of conductivity of a plasma membrane was studied. A fluorescent study did not reveal any substantial changes in the microviscosity of lipids by the action of copper ions. At the same time, a substantial reorganization of membrane proteins during plasmolysis was observed. A model of the copper-induced structural reorganization of membrane lipids was constructed, according to which the reorganization leads to the opening in the membrane of channels of nonspecific conductivity for cations. The opening of conductivity channels results from the break of disulfide bonds in critical membrane proteins during the interaction with Cu+, which form either due to the reduction of Cu2+ on specific sites of cell surface or by means of external reducing agents.

  4. Defect induced modification of structural, topographical and magnetic properties of zinc ferrite thin films by swift heavy ion irradiation

    Science.gov (United States)

    Raghavan, Lisha; Joy, P. A.; Vijaykumar, B. Varma; Ramanujan, R. V.; Anantharaman, M. R.

    2017-04-01

    Swift heavy ion irradiation provides unique ways to modify physical and chemical properties of materials. In ferrites, the magnetic properties can change significantly as a result of swift heavy ion irradiation. Zinc ferrite is an antiferromagnet with a Neel temperature of 10 K and exhibits anomalous magnetic properties in the nano regime. Ion irradiation can cause amorphisation of zinc ferrite thin films; thus the role of crystallinity on magnetic properties can be examined. The influence of surface topography in these thin films can also be studied. Zinc ferrite thin films, of thickness 320 nm, prepared by RF sputtering were irradiated with 100 MeV Ag ions. Structural characterization showed amorphisation and subsequent reduction in particle size. The change in magnetic properties due to irradiation was correlated with structural and topographical effects of ion irradiation. A rough estimation of ion track radius is done from the magnetic studies.

  5. Impact of amylosucrase modification on the structural and physicochemical properties of native and acid-thinned waxy corn starch.

    Science.gov (United States)

    Zhang, Hao; Zhou, Xing; He, Jian; Wang, Tao; Luo, Xiaohu; Wang, Li; Wang, Ren; Chen, Zhengxing

    2017-04-01

    Recombinant amylosucrase from Neisseria polysaccharea was utilized to modify native and acid-thinned starches. The molecular structures and physicochemical properties of modified starches were investigated. Acid-thinned starch displayed much lower viscosity after gelatinization than did the native starch. However, the enzyme exhibited similar catalytic efficiency for both forms of starch. The modified starches had higher proportions of long (DP>33) and intermediate chains (DP 13-33), and X-ray diffraction showed a B-type crystalline structure for all modified starches. With increasing reaction time, the relative crystallinity and endothermic enthalpy of the modified starches gradually decreased, whereas the melting peak temperatures and resistant starch contents increased. Slight differences were observed in thermal parameters, relative crystallinity, and branch chain length distribution between the modified native and acid-thinned starches. Moreover, the digestibility of the modified starches was not affected by acid hydrolysis pretreatment, but was affected by the percentage of intermediate and long chains.

  6. The Influence of Molecular Structure Modifications on Vibrational Properties of Some Beta Blockers: A Combined Raman and DFT Study

    OpenAIRE

    A. Farcaș; C. Iacoviță; Vințeler, E.; V. Chiș; R. Știufiuc; Lucaciu, C. M.

    2016-01-01

    We report results of a systematic Raman, SERS, and DFT study on four beta blocking molecules: Atenolol, Metoprolol, Propranolol, and, for the first time reported in the literature, Bisoprolol. The choice of these molecules was motivated by the structural similarities between Atenolol, Bisoprolol, and Metoprolol on one hand and by their differences relative to Propranolol. The density functional theory (DFT) approach, using the B3LYP method at the 6-311+G(d,p) level of theory, has been employe...

  7. Controlling electron beam-induced structure modifications and cation exchange in cadmium sulfide–copper sulfide heterostructured nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Haimei [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Sadtler, Bryce; Habenicht, Carsten [Department of Chemistry, University of California, Berkeley, CA 94720 (United States); Freitag, Bert [FEI Company, P.O. Box 80066, KA 5600 Eindhoven (Netherlands); Alivisatos, A. Paul [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Department of Chemistry, University of California, Berkeley, CA 94720 (United States); Kisielowski, Christian, E-mail: CFKisielowski@lbl.gov [National Center for Electron Microcopy, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Joint Center for Artificial Photosynthesis, Berkeley, CA 94720 (United States)

    2013-11-15

    The atomic structure and interfaces of CdS/Cu{sub 2}S heterostructured nanorods are investigated with the aberration-corrected TEAM 0.5 electron microscope operated at 80 kV and 300 kV applying in-line holography and complementary techniques. Cu{sub 2}S exhibits a low-chalcocite structure in pristine CdS/Cu{sub 2}S nanorods. Under electron beam irradiation the Cu{sub 2}S phase transforms into a high-chalcocite phase while the CdS phase maintains its wurtzite structure. Time-resolved experiments reveal that Cu{sup +}–Cd{sup 2+} cation exchange at the CdS/Cu{sub 2}S interfaces is stimulated by the electron beam and proceeds within an undisturbed and coherent sulfur sub-lattice. A variation of the electron beam current provides an efficient way to control and exploit such irreversible solid-state chemical processes that provide unique information about system dynamics at the atomic scale. Specifically, we show that the electron beam-induced copper–cadmium exchange is site specific and anisotropic. A resulting displacement of the CdS/Cu{sub 2}S interfaces caused by beam-induced cation interdiffusion equals within a factor of 3–10 previously reported Cu diffusion length measurements in heterostructured CdS/Cu{sub 2}S thin film solar cells with an activation energy of 0.96 eV. - Highlights: • Heterostructured nanorods were investigated at atomic resolution showing that they are free of extended defects. • Beam–sample interactions are controlled by current and voltage variations to provide pristine crystal structures. • Beam-induced migration of heterointerfaces are measured time-resolved and compared with Cu diffusion coefficients. • Beam–sample interaction overwrite possible signal improvements that can be expected by sample cooling.

  8. One-Step Fabrication of Hierarchically Structured Silicon Surfaces and Modification of Their Morphologies Using Sacrificial Layers

    Directory of Open Access Journals (Sweden)

    Seong J. Cho

    2013-01-01

    Full Text Available Fabrication of one-dimensional nanostructures is a key issue for optical devices, fluidic devices, and solar cells because of their unique functionalities such as antireflection and superhydrophobicity. Here, we report a novel one-step process to fabricate patternable hierarchical structures consisting of microstructures and one-dimensional nanostructures using a sacrificial layer. The layer plays a role as not only a micromask for producing microstructures but also as a nanomask for nanostructures according to the etching time. Using this method, we fabricated patterned hierarchical structures, with the ability to control the shape and density of the nanostructure. The various architectures provided unique functionalities. For example, our sacrificial-layer etching method allowed nanostructures denser than what would be attainable with conventional processes to form. The dense nanostructure resulted in a very low reflectance of the silicon surface (less than 1%. The nanostructured surface and hierarchically structured surface also exhibited excellent antiwetting properties, with a high contact angle (>165° and low sliding angle (<1°. We believe that our fabrication approach will provide new insight into functional surfaces, such as those used for antiwetting and antireflection surface applications.

  9. Simultaneous production of cellulase and reducing sugar through modification of compositional and structural characteristic of sugarcane bagasse.

    Science.gov (United States)

    Yoon, Li Wan; Ngoh, Gek Cheng; Chua, Adeline Seak May

    2013-09-10

    This study examined the potential of untreated and alkali-pretreated sugarcane bagasse (SCB) in cellulase, reducing sugar (RS) and fungal biomass production via solid state fermentation (SSF) using Pycnoporus sanguineus. The impact of the composition, structure and cellulase adsorption ability of SCB on the production of cellulase, RS and fungal biomass was investigated. From the morphological and compositional analyses, untreated SCB has relatively more structural changes with a higher percentage of depolymerisation on the cellulose, hemicellulose and lignin content compared to alkali-pretreated SCB. Thus, untreated SCB favoured the production of cellulase and fungal biomass whereas alkali-pretreated SCB yielded a higher amount of RS. The composition and morphology of untreated SCB did not encourage RS production and this suggested that RS produced during SSF might be consumed in a faster rate by the more abundantly grown fungus. Besides that, alkali-pretreated SCB with higher cellulase adsorption ability could have adsorbed the cellulase produced and resulted in a lower cellulase titre. In short, the production of specific bioproducts via SSF is dependent on the structure and composition of the substrate applied.

  10. Photolabile acetals as profragrances: the effect of structural modifications on the light-induced release of volatile aldehydes on cotton.

    Science.gov (United States)

    Trachsel, Alain; Buchs, Barbara; Herrmann, Andreas

    2016-09-31

    Because volatile compounds evaporate from surfaces that are usually exposed to daylight, photoresponsive delivery systems are particularly suitable to control their release. In the present study, we investigated 4,4-diphenyl-4H-benzo[d][1,3]dioxins as profragrances for the light-induced delivery of aldehydes in functional perfumery. The efficiency of fragrance release was investigated on cotton after direct and indirect surface deposition from a fabric softening formulation as a function of the substitution pattern of the profragrance structure. Dynamic headspace analysis above the cotton surface demonstrated that the structure of the profragrance had a much larger effect on the fragrance release than did the amount of deposition on the target surface. Although some trends observed for the photolysis in solution also applied to the reaction on cotton, it is not generally possible to predict the photochemical behaviour of structurally different precursors on surfaces from their solution properties. The fact that the present system performed on a dry surface makes it an interesting light-triggered delivery vehicle for other classes of bioactive volatile compounds, such as pheromones or agrochemicals.

  11. Effect of fluence and ambient environment on the surface and structural modification of femtosecond laser irradiated Ti

    Science.gov (United States)

    Umm-i-Kalsoom; Shazia, Bashir; Nisar, Ali; M Shahid, Rafique; Wolfgang, Husinsky; Chandra, S. R. Nathala; Sergey, V. Makarov; Narjis, Begum

    2016-01-01

    Under certain conditions, ultrafast pulsed laser interaction with matter leads to the formation of self-organized conical as well as periodic surface structures (commonly reffered to as, laser induced periodic surface structures, LIPSS). The purpose of the present investigations is to explore the effect of fsec laser fluence and ambient environments (Vacuum & O2) on the formation of LIPSS and conical structures on the Ti surface. The surface morphology was investigated by scanning electron microscope (SEM). The ablation threshold with single and multiple (N = 100) shots and the existence of an incubation effect was demonstrated by SEM investigations for both the vacuum and the O2 environment. The phase analysis and chemical composition of the exposed targets were performed by x-ray diffraction (XRD) and energy dispersive x-ray spectroscopy (EDS), respectively. SEM investigations reveal the formation of LIPSS (nano & micro). FFT d-spacing calculations illustrate the dependence of periodicity on the fluence and ambient environment. The periodicity of nano-scale LIPSS is higher in the case of irradiation under vacuum conditions as compared to O2. Furthermore, the O2 environment reduces the ablation threshold. XRD data reveal that for the O2 environment, new phases (oxides of Ti) are formed. EDS analysis exhibits that after irradiation under vacuum conditions, the percentage of impurity element (Al) is reduced. The irradiation in the O2 environment results in 15% atomic diffusion of oxygen. Project supported by Österreichische Forschungsfödergesellschaft (FFG) (Grant No. 834325).

  12. Covalent Surface Modification of Prions: A Mass Spectrometry-Based Means of Detecting Distinctive Structural Features of Prion Strains.

    Science.gov (United States)

    Silva, Christopher J; Erickson-Beltran, Melissa L; Dynin, Irina C

    2016-02-16

    Prions (PrP(Sc)) are molecular pathogens that are able to convert the isosequential normal cellular prion protein (PrP(C)) into a prion. The only demonstrated difference between PrP(C) and PrP(Sc) is conformational: they are isoforms. A given host can be infected by more than one kind or strain of prion. Five strains of hamster-adapted scrapie [Sc237 (=263K), drowsy, 139H, 22AH, and 22CH] and recombinant PrP were reacted with five different concentrations (0, 1, 5, 10, and 20 mM) of reagent (N-hydroxysuccinimide ester of acetic acid) that acetylates lysines. The extent of lysine acetylation was quantitated by mass spectrometry. The lysines in rPrP react similarly. The lysines in the strains react differently from one another in a given strain and react differently when strains are compared. Lysines in the C-terminal region of prions have different strain-dependent reactivity. The results are consistent with a recently proposed model for the structure of a prion. This model proposes that prions are composed of a four-rung β-solenoid structure comprised of four β-sheets that are joined by loops and turns of amino acids. Variation in the amino acid composition of the loops and β-sheet structures is thought to result in different strains of prions.

  13. Structure based modification of Bluetongue virus helicase protein VP6 to produce a viable VP6-truncated BTV

    Energy Technology Data Exchange (ETDEWEB)

    Matsuo, Eiko [Microbiology and Immunology, Division of Animal Science, Department of Bioresource Science, Graduate School of Agricultural Science, Kobe University, 1-1, Rokkodai, Nada-ku, Kobe-City 657-8501 (Japan); Faculty of Infectious and Tropical Diseases, London School of Hygiene and Tropical Medicine, Keppel Street, London WC1E 7HT (United Kingdom); Leon, Esther; Matthews, Steve J. [Division of Molecular Biosciences, Centre for Structural Biology, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Roy, Polly, E-mail: polly.roy@lshtm.ac.uk [Faculty of Infectious and Tropical Diseases, London School of Hygiene and Tropical Medicine, Keppel Street, London WC1E 7HT (United Kingdom)

    2014-09-05

    Highlights: • NMR analysis on BTV VP6 reveals two large loop regions. • The loss of a loop (aa 34–130) does not affect the overall fold of the protein. • A region of VP6 (aa 34–92) is not required for BTV replication. • A region of VP6 (aa 93–130) plays an essential role in the virus replication. - Abstract: Bluetongue virus core protein VP6 is an ATP hydrolysis dependent RNA helicase. However, despite much study, the precise role of VP6 within the viral capsid and its structure remain unclear. To investigate the requirement of VP6 in BTV replication, we initiated a structural and biological study. Multinuclear nuclear magnetic resonance spectra were assigned on his-tagged full-length VP6 (329 amino acid residues) as well as several truncated VP6 variants. The analysis revealed a large structured domain with two large loop regions that exhibit significant conformational exchange. One of the loops (amino acid position 34–130) could be removed without affecting the overall fold of the protein. Moreover, using a BTV reverse genetics system, it was possible to demonstrate that the VP6-truncated BTV was viable in BHK cells in the absence of any helper VP6 protein, suggesting that a large portion of this loop region is not absolutely required for BTV replication.

  14. Structural modification of heat treated steel 10Mn2VNbAl and its properties under tension

    Science.gov (United States)

    Derevyagina, Lyudmila S.; Pochivalov, Yurii I.; Gordienko, Antonina I.

    2016-11-01

    The paper reports the investigation results on the structure of low-carbon steel 10Mn2VNbAl after heat treatment by steel heating up to temperatures 900-1100°C and subsequent accelerated oil cooling. It studies the steel tensile properties in the mechanical test temperature range from +20 to -196°C, and fracture micromechanisms in the initial and heat treated states of steel. After heat treatment the steel structure consists of bainitic (martensitic) transformation elements: martensite lamellae arranged in packets, single ferrite grains, regions of residual austenite, and carbide particles. The structural transformation causes an almost two-fold increase in the strength properties (the ultimate strength increased from 650 to 1100-1200 MPa depending on the austenization temperature). The best combination of strength properties and plasticity was achieved after steel ageing at 900°C. Low-temperature tensile tests revealed that plasticity of the heat treated steel increases at the test temperature reduction from -50 to -196°C. This is evidently related to the occurrence of an additional micromechanism of martensite deformation through twinning.

  15. Oxidative modification of rat liver 5'-nucleotidase: the mechanisms for protection and re-activation.

    Science.gov (United States)

    Kocic, G; Pavlovic, D; Jevtovic, T; Kocic, R; Bojic, A; Vlahovic, P; Djordjevic, V; Sokolovic, D; Djindjic, B

    2001-10-01

    The effect of oxidative stress catalysed by transition metals appears to have a critical relevance for the structure and function not only of membrane lipids but also of integral membrane proteins in a complex lipid-protein assembling, and membrane-dependent function. The integral membrane enzyme 5'-nucleotidase is susceptible to Fe((2+))-ion catalysed oxidative modification, and the extent of enzyme inhibition is in inverse relationship (r = -0.820) with lipid peroxidation (MDA) level. This work is also a comparative study about possible effectiveness of different Fe-ion chelators (deferoxamine, Na-citrate, Na-salicylate, ammonium oxalate and EDTA), antioxidants (GSH, GSH/GSH-Px system, Cu, Zn-SOD and mannitol) and metal cations (Mg(2+) and Mn(2+)) to protect or restore Fe(2+)-ion induced 5'-nucleotidase inhibition and to suppress Fe(2+)-ion enhanced lipid peroxidation. Among the examined chelators it was only deferoxamine and Na-citrate that exerted a fully protective and reactivating ability; among the antioxidants it was only GSH; among the metal cations it was only Mn(2+). The ability to protect or restore 5'-nucleotidase activity and to diminish chain-induced lipid peroxidation is explicable in terms of: metal-binding ability, capacity of taking iron away from a biological molecule, or ability of transferring the damage to itself. After a short incubation period, the iron associated with enzyme or lipid hydroperoxides could be in a labile coordinative linkage, still able to interact with possible ligands or metal cations.

  16. The crystal structure of Giardia duodenalis 14-3-3 in the apo form: when protein post-translational modifications make the difference.

    Directory of Open Access Journals (Sweden)

    Annarita Fiorillo

    Full Text Available The 14-3-3s are a family of dimeric evolutionary conserved pSer/pThr binding proteins that play a key role in multiple biological processes by interacting with a plethora of client proteins. Giardia duodenalis is a flagellated protozoan that affects millions of people worldwide causing an acute and chronic diarrheal disease. The single giardial 14-3-3 isoform (g14-3-3, unique in the 14-3-3 family, needs the constitutive phosphorylation of Thr214 and the polyglycylation of its C-terminus to be fully functional in vivo. Alteration of the phosphorylation and polyglycylation status affects the parasite differentiation into the cyst stage. To further investigate the role of these post-translational modifications, the crystal structure of the g14-3-3 was solved in the unmodified apo form. Oligomers of g14-3-3 were observed due to domain swapping events at the protein C-terminus. The formation of filaments was supported by TEM. Mutational analysis, in combination with native PAGE and chemical cross-linking, proved that polyglycylation prevents oligomerization. In silico phosphorylation and molecular dynamics simulations supported a structural role for the phosphorylation of Thr214 in promoting target binding. Our findings highlight unique structural features of g14-3-3 opening novel perspectives on the evolutionary history of this protein family and envisaging the possibility to develop anti-giardial drugs targeting g14-3-3.

  17. Heparin sodium compliance to the new proposed USP monograph: elucidation of a minor structural modification responsible for a process dependent 2.10 ppm NMR signal.

    Science.gov (United States)

    Mourier, Pierre A J; Guichard, Olivier Y; Herman, Fréderic; Viskov, Christian

    2011-01-25

    Heparin is a highly sulfated hetero polysaccharide mixture found and extracted from mammalian tissues. It has been widely used as an anticoagulant drug during the past decades. In the new proposed USP heparin monograph, the ¹H NMR acceptance criteria to prevent contamination by over sulfated chondroitin sulfate (OSCS), or other persulfated glycosaminoglycans, specifies that no unidentified signals greater than 4% of the mean of signal height of 1 and 2 should be present in the following ranges: 0.10-2.00, 2.10-3.20, and 5.70-8.00 ppm. However, those criteria do not take into account the impact of potential structural modifications generated by the heparin manufacturing processes. In fact, starting from pig mucosa, heparin purification involves oxidizing reagents such as sodium peroxide, potassium permanganate and peracetic acid. In the present work, we demonstrate that potassium permanganate treated heparins show a small but characteristic extra signal at 2.10 ppm. Controlled heparinase I depolymerisation is used to target and excise the oligosaccharide responsible for this extra signal from the polysaccharide backbone. By using orthogonal chromatographic techniques, the fingerprint oligosaccharide was isolated and its structure elucidated. Without the identification of this structural moiety, such purified heparins may have been considered as non-compliant drug substance and not suitable for pharmaceutical use. Copyright © 2010 Elsevier B.V. All rights reserved.

  18. The crystal structure of Giardia duodenalis 14-3-3 in the apo form: when protein post-translational modifications make the difference.

    KAUST Repository

    Fiorillo, Annarita

    2014-03-21

    The 14-3-3s are a family of dimeric evolutionary conserved pSer/pThr binding proteins that play a key role in multiple biological processes by interacting with a plethora of client proteins. Giardia duodenalis is a flagellated protozoan that affects millions of people worldwide causing an acute and chronic diarrheal disease. The single giardial 14-3-3 isoform (g14-3-3), unique in the 14-3-3 family, needs the constitutive phosphorylation of Thr214 and the polyglycylation of its C-terminus to be fully functional in vivo. Alteration of the phosphorylation and polyglycylation status affects the parasite differentiation into the cyst stage. To further investigate the role of these post-translational modifications, the crystal structure of the g14-3-3 was solved in the unmodified apo form. Oligomers of g14-3-3 were observed due to domain swapping events at the protein C-terminus. The formation of filaments was supported by TEM. Mutational analysis, in combination with native PAGE and chemical cross-linking, proved that polyglycylation prevents oligomerization. In silico phosphorylation and molecular dynamics simulations supported a structural role for the phosphorylation of Thr214 in promoting target binding. Our findings highlight unique structural features of g14-3-3 opening novel perspectives on the evolutionary history of this protein family and envisaging the possibility to develop anti-giardial drugs targeting g14-3-3.

  19. 60 keV Ar{sup +}-ion induced pattern formation on Si surface: Roles of sputter erosion and atomic redistribution

    Energy Technology Data Exchange (ETDEWEB)

    Garg, S.K., E-mail: sandeep@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Datta, D.P.; Kumar, M. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Kanjilal, D. [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Som, T., E-mail: tsom@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India)

    2014-08-15

    Highlights: • AFM study of morphological evolution on Si surface under 60 keV Ar{sup +} ions irradiation as a function of angle of incidence and fluence. • Construction of parametric phase diagram of medium energy ion induced ripple formation on Si. • Observation of sticking similarities between medium and low energy ion-induced pattern. • Numerical estimation shows that simultaneous contribution of curvature dependent sputtering and ion induced atomic redistribution. - Abstract: We study the evolution of surface morphology on Si(1 0 0) surface due to 60 keV Ar{sup +}-ion irradiation at room temperature for a wide range of ion fluences (2–80 × 10{sup 17} ions cm{sup −2}) and angles of incidence (0°–75°). We have clearly distinguished linear and nonlinear regimes for the observed ripple patterns in our experiment. From our experimental results and those available in the literature, we have created a parametric phase diagram which summarizes an overview of pattern formation on silicon surface under medium energy ion irradiation. On the basis of this phase diagram, we demonstrate some striking similarities between medium and low energy ion-induced ripple patterns and infer that similar mechanisms may be responsible for pattern formation at both regimes. Comparison of our experimental results with numerical estimations reveals that both curvature dependent sputter erosion and ion induced atomic redistribution are responsible for the observed evolution of surface morphology.

  20. Functional and structural brain modifications induced by oculomotor training in patients with age-related macular degeneration

    Directory of Open Access Journals (Sweden)

    Katharina eRosengarth

    2013-07-01

    Full Text Available Patients with age-related macular degeneration (AMD are reliant on their peripheral visual field. Oculomotor training can help them to find the best area on intact peripheral retina and to efficiently stabilize eccentric fixation. In this study nine patients with AMD were trained over a period of six months using oculomotor training protocols to improve fixation stability. They were followed over an additional period of six months, where they completed an auditory memory training as a sham training. In this cross-over design five patients started with the sham training and four with the oculomotor training. Seven healthy age-matched subjects, who did not take part in any training procedure, served as controls. During the six months of training the AMD subjects and the control group took part in three functional and structural magnetic resonance imaging (MRI sessions to assess training-related changes in the brain function and structure. The sham-training phase was accompanied by two more fMRI measurements, resulting in five MRI sessions at intervals of three months for all participants. Despite substantial variability in the training effects, on average, AMD patients benefited from the training measurements as indexed by significant improvements in their fixation stability, visual acuity and reading speed. The patients showed a significant positive correlation between brain activation changes and improvements in fixation stability in the visual cortex during training. These correlations were less pronounced on the long-term after training had ceased. We also found a significant increase in gray and white matter in the posterior cerebellum after training in the patient group. Our results show that functional and structural brain changes can be associated, at least on the short-term, with benefits of oculomotor and/or reading training in patients with central scotomata resulting from AMD.

  1. Contrasting effect of gold nanoparticles and nanorods with different surface modifications on the structure and activity of bovine serum albumin.

    Science.gov (United States)

    Chakraborty, Soumyananda; Joshi, Prachi; Shanker, Virendra; Ansari, Z A; Singh, Surinder P; Chakrabarti, Pinak

    2011-06-21

    Nanoparticles exposed to biofluids become coated with proteins, thus making protein-nanoparticle interactions of particular interest. The consequence on protein conformation and activity depends upon the extent of protein adsorption on the nanoparticle surface. We report the interaction of bovine serum albumin (BSA) with gold nanostructures, particularly gold nanoparticles (GNP) and gold nanorods (GNR). The difference in the geometry and surface properties of nanoparticles is manifested during complexation in terms of different binding modes, structural changes, thermodynamic parameters, and the activity of proteins. BSA is found to retain native-like structure and properties upon enthalpy-driven BSA-GNP complexation. On the contrary, the entropically favored BSA-GNR complexation leads to substantial loss in protein secondary and tertiary structures with the release of a large amount of bound water, as indicated by isothermal calorimetry (ITC), circular dichroism (CD), and Fourier transform infrared (FTIR) and fluorescence spectroscopies. The esterase activity assay demonstrated a greater loss in BSA activity after complexation with GNR, whereas the original activity is retained in the presence of GNP. The formation of large assemblies (aggregates) and reduced average lifetime, as evidenced from dynamic light scattering and fluorescence decay measurements, respectively, suggest that GNR induces protein unfolding at its surface. The effect of temperature on the CD spectra of BSA-GNP was found to be similar to that of pristine BSA, whereas BSA-GNR shows distortion in CD spectra at lower wavelengths, strengthening the perception of protein unfolding. High binding constant and entropy change for BSA-GNR complexation determined by ITC are consistent with large surfacial interaction that may lead to protein unfolding. The present work highlights the differential response of a protein depending on the nature of the nanostructure and its surface chemistry, which need to be

  2. Role of sodium ions in the vitrification process: glass matrix modification, slag structure depolymerization, and influence of metal immobilization.

    Science.gov (United States)

    Kuo, Yi-Ming

    2014-07-01

    This study investigates the role of Na ions, a common flux, in the vitrification process. Artificial glass systems composed of Al2O3, CaO, and SiO2 with various Na concentrations were melted at 1450 degrees C. The specimens were cooled by air cooling and water quenching and the metal mobility was evaluated using a sequential extraction procedure. The X-ray diffraction analysis and scanning electron microscopy observations showed that Na ions governed the air-cooled slag's structure. Na ions initially depolymerized CaSiO3-linked chains into CaSiO3 chains, and further cut them into shorter and nonuniform ones, making the slag structure amorphous. With even more Na ions, CaSiO3 chains were divided into single SiO4 tetrahedrons and formed Na-related crystals (Na2Ca3Si2O8 and NaAlSiO4). The phase distributions of Al, Cr, Cu Mn, and Ni showed that Na has a positive effect on the immobilization of heavy metals at suitable concentrations, but a negative effect when in excess amounts. Implications: Vitrification has been widely used to treat hazardous materials. The Na-bearing additives were often used as a flux to improve the melting process. This study described the role of Na played in the vitrification process. The Na ions acted as glass modifier and depolymerize the chain structure of slag. With adequate addition amount of Na ions, the immobilization of heavy metals was improved. The results provided much information about the crystalline phase variation, metal mobility, and surface characteristics while Na serves as a flux.

  3. Hepatic cytochromes P450: structural degrons and barcodes, posttranslational modifications and cellular adapters in the ERAD-endgame.

    Science.gov (United States)

    Kim, Sung-Mi; Wang, YongQiang; Nabavi, Noushin; Liu, Yi; Correia, Maria Almira

    2016-08-01

    The endoplasmic reticulum (ER)-anchored hepatic cytochromes P450 (P450s) are enzymes that metabolize endo- and xenobiotics i.e. drugs, carcinogens, toxins, natural and chemical products. These agents modulate liver P450 content through increased synthesis or reduction via inactivation and/or proteolytic degradation, resulting in clinically significant drug-drug interactions. P450 proteolytic degradation occurs via ER-associated degradation (ERAD) involving either of two distinct routes: Ubiquitin (Ub)-dependent 26S proteasomal degradation (ERAD/UPD) or autophagic lysosomal degradation (ERAD/ALD). CYP3A4, the major human liver/intestinal P450, and the fast-turnover CYP2E1 species are degraded via ERAD/UPD entailing multisite protein phosphorylation and subsequent ubiquitination by gp78 and CHIP E3 Ub-ligases. We are gaining insight into the nature of the structural determinants involved in CYP3A4 and CYP2E1 molecular recognition in ERAD/UPD [i.e. K48-linked polyUb chains and linear and/or "conformational" phosphodegrons consisting either of consecutive sequences on surface loops and/or disordered regions, or structurally-assembled surface clusters of negatively charged acidic (Asp/Glu) and phosphorylated (Ser/Thr) residues, within or vicinal to which, Lys-residues are targeted for ubiquitination]. Structural inspection of select human liver P450s reveals that such linear or conformational phosphodegrons may indeed be a common P450-ERAD/UPD feature. By contrast, although many P450s such as the slow-turnover CYP2E1 species and rat liver CYP2B1 and CYP2C11 are degraded via ERAD/ALD, little is known about the mechanism of their ALD-targeting. On the basis of our current knowledge of ALD-substrate targeting, we propose a tripartite conjunction of K63-linked Ub-chains, P450 structural "LIR" motifs and selective cellular "cargo receptors" as plausible P450-ALD determinants.

  4. Van der Waals trilayers and superlattices: Modification of electronic structures of MoS2 by intercalation

    OpenAIRE

    Lu, N.; Guo, H. Y.; L. Wang; Wu, X. J.; Zeng, X. C.

    2014-01-01

    We perform a comprehensive first-principles study of the electronic properties of van der Waals (vdW) trilayers via intercalating a two-dimensional (2D) monolayer (ML = BN, MoSe2, WS2, or WSe2) between MoS2 bilayer to form various MoS2/ML/MoS2 sandwich trilayers. We find that the BN monolayer is the most effective sheet to decouple the interlayer vdW coupling of the MoS2 bilayer, and the resulting sandwich trilayer can recover the electronic structures of the MoS2 monolayer, particularly the ...

  5. Influence of Low-Alloy Cast Steel Modification on Primary Structure Refinement, Type and Shape of Non-Metallic Inclusions

    Directory of Open Access Journals (Sweden)

    Bartocha D.

    2015-04-01

    Full Text Available In the article there are presented methods and results of investigation which main aim were determination of influence of melting technology (gas extraction, vacuum refining, slag refining and extraction, deoxidation and degassing and type of used modifiers on the type and shape of non-metallic inclusions and the primary structure refining. Low alloy cast steel melted in laboratory conditions, in an inductive furnace was investigated. Additions of FeNb, FeV, FeTi and FeZr modifiers were applied. The contents of oxygen and nitrogen in obtained cast steel were determined.

  6. Structural and cytochemical modifications in the lingual glands of the newborn chicken irradiated with He-Ne laser.

    Science.gov (United States)

    Avila, R E; Samar, M E; de Fabro, S P; Plivelic, T S

    1997-01-01

    Despite the increasing and successful use of laser in Medicine and Odontology, the possible iatrogenic and otherwise deleterious side effects of this radiation remain mostly unknown. In previous studies, it was shown that both the embryonic and the post-hatched chicken constitute reliable experimental models for this type of studies. Hence, the purpose of the present work was to analyze the structural and cytochemical alterations of the lingual glands of the newborn chicken irradiated with low energy He-Ne laser. This laser produced regressive structural changes of the glands towards the embryonic stage as well as hyperplasia of the reserve glandular basal cells. Furthermore, a decrease in the glycoprotein content and a rise in the sulphated glycosaminoglycans were also found. These results corroborate the pathogenic effects of the He-Ne- laser on the experimental model employed and, at the same time, emphasize the importance of considering, regarding clinical applications, possible previous neoplastic alterations as well as adverse reactions which might appear once laser therapy has been installed.

  7. Visible-light activity of N-LiInO2: Band structure modifications through interstitial nitrogen doping

    Science.gov (United States)

    Xu, Kaiqiang; Xu, Difa; Zhang, Xiangchao; Luo, Zhuo; Wang, Yutang; Zhang, Shiying

    2017-01-01

    Element doping is a promising strategy to improve the photo-response and photocatalytic activity of semiconductor photocatalyst with a wide band gap. To reduce the band gap of LiInO2 that is considered as a novel photocatalyst, nitrogen-doped LiInO2 (N-LiInO2) is successfully fabricated by treating LiInO2 and urea at 200 °C. It is found that interstitial instead of substitutional configurations are formed in the crystal structure of N-LiInO2 due to the low-treating temperature and rich-oxygen conditions. The interstitial N-doping forms a doping state with 0.6 eV above the valence band maximum and a defect state with 0.1 eV below the conduction band minimum, reducing the band gap of LiInO2 from 3.5 to 2.8 eV. N-LiInO2 exhibits higher photocatalytic activity towards methylene blue (MB) degradation under 380 nm light irradiation, which is 1.4 times that of pure LiInO2. The enhanced photocatalytic activity of N-LiInO2 is attributed to the extended light absorption and the improved charge carrier separation, which result in more reactive species participating in the photcatalytic process. This work provides a further understanding on tuning the band structure of semiconductor photocatalyst by N-doping strategies.

  8. Decomposition of silver carbonate; the crystal structure of two high-temperature modifications of Ag(2)CO(3).

    Science.gov (United States)

    Norby, P; Dinnebier, R; Fitch, A N

    2002-07-15

    High-resolution powder diffraction was used to study the thermal transformation of silver carbonate. A sample of Ag(2)CO(3) was heated in a capillary under 4.5 atm CO(2) pressure. The decomposition temperature of silver carbonate to silver oxide is thereby increased, allowing high-resolution synchrotron X-ray powder diffraction patterns of the two high-temperature phases of Ag(2)CO(3) to be collected. The structure of the low-temperature (lt) phase was confirmed, and the structures of the two high-temperature phases were determined by direct methods and refined using the Rietveld method: lt-Ag(2)CO(3) (295 K) P2(1)/m, z = 2, a = 4.8521(2) A, b = 9.5489(4) A, c = 3.2536(1) A, beta = 91.9713(3) degrees; beta-Ag(2)CO(3) (453 K) P31c, z = 6, a = 9.1716(4) A, c = 6.5176(3) A; alpha-Ag(2)CO(3) (476 K) P6 macro 2m, z = 3, a = 9.0924(4) A, c = 3.3249(1) A. In addition, thermal expansion properties, anisotropic microstrain distributions, and thermal transformations of the three silver carbonate phases and silver oxide are described.

  9. Electric field induced structural modifications in metal/SrTiO{sub 3} junctions and their resistive properties

    Energy Technology Data Exchange (ETDEWEB)

    Stoecker, Hartmut [TU Dresden (Germany). Institut fuer Strukturphysik; TU Bergakademie Freiberg (Germany). Institut fuer Experimentelle Physik; Seibt, Juliane; Hanzig, Florian; Wintz, Susi; Meyer, Dirk C. [TU Bergakademie Freiberg (Germany). Institut fuer Experimentelle Physik; Zschornak, Matthias [TU Dresden (Germany). Institut fuer Strukturphysik

    2010-07-01

    In oxides with perovskite-type of structure, mobile oxygen can cause the formation of non-stoichiometric regions when an electric field of sufficient strength ({proportional_to}1000 V/mm) is applied. Our in-situ investigations of metal/SrTiO{sub 3} junctions revealed reversible structural changes at room temperature caused by a systematic field-induced redistribution of oxygen. The investigations were carried out using wide-angle X-ray scattering, X-ray absorption spectroscopy, photoluminescence, nanoindentation and time-dependent electric I-U measurements. Motivated by the successful use of SrTiO{sub 3} with different doping metals for memory cells on the basis of resistive switching combined with the findings on the major importance of oxygen vacancy redistribution, we show the possibility of realizing a resistance change memory based on vacancy-doped SrTiO{sub 3}. The formation of corresponding metal/SrTiO{sub 3} junctions in an electric field is discussed as well as the switching between ohmic and Schottky-type resistive properties. A notable hysteresis in the I-U characteristics can be used to carry out Write, Read and Erase operations to test the memory cell properties of such junctions.

  10. Spin fluctuations and structural modifications in frustrated multiferroics RMnO3 (R=Y, Lu) at high pressure

    Science.gov (United States)

    Kozlenko, D. P.; Kichanov, S. E.; Lukin, E. V.; Lee, S.; Park, J.-G.; Savenko, B. N.

    2010-06-01

    The crystal and magnetic structures of hexagonal manganites YMnO3 and LuMnO3 have been studied by powder neutron diffraction up to 6 GPa in the temperature range of 10-300 K. At ambient pressure, a triangular antiferromagnetic (AFM) state of a Γ1 irreducible representation is stable below T N=70 K in YMnO3. Upon application of high pressure, a spin-reorientation was observed and the triangular AFM structure evolves from Γ1 to Γ1+Γ2 representation symmetry. In LuMnO3, the triangular AFM state of a Γ2 symmetry with T N ≈ 95 K remains stable in the investigated pressure range. The ordered Mn magnetic moment is suppressed at high pressure and low temperature, with much more pronounced effects for YMnO3, indicating enhanced spin fluctuations due to stronger magnetic frustration of the triangular lattice under higher pressure. The relationship between the evolution of spin fluctuations and in-plane Mn-O bonds under pressure is analyzed.

  11. Electronic excitation induced modifications of structural, electrical and optical properties of Cu-C60 nanocomposite thin films

    Science.gov (United States)

    Inani, H.; Singhal, R.; Sharma, P.; Vishnoi, R.; Ojha, S.; Chand, S.; Sharma, G. D.

    2017-09-01

    High energy ion irradiation significantly affects the size and shape of nanoparticles in composites. Low concentration metal fraction embedded in fullerene matrix in form of nanocomposites was synthesized by thermal co-evaporation method. Swift heavy ion irradiation was performed with 120 MeV Au ion beam on Cu-C60 nanocomposites at different fluences 1 × 1012, 3 × 1012, 6 × 1012, 1 × 1013 and 3 × 1013 ions/cm2. Absorption spectra demonstrated that absorption intensity of nanocomposite thin film was increased whereas absorption modes of fullerene C60 were diminished with fluence. Rutherford backscattering spectroscopy was also performed to estimate the thickness of the film and atomic metal fraction in matrix and found to be 45 nm and 3%, respectively. Transmission electron microscopy was performed for structural and particle size evaluation of Cu nanoparticles (NPs) in fullerene C60 matrix. A growth of Cu nanoparticles is observed at a fluence of 3 × 1013 ions/cm2 with a bi-modal distribution in fullerene C60. Structural evolution of fullerene C60 matrix with increasing fluence of 120 MeV Au ion beam is studied by Raman spectroscopy which shows the amorphization of matrix (fullerene C60) at lower fluence. The growth of Cu nanoparticles is explained using the phenomena of Ostwald ripening.

  12. Two-Dimensional Hydrodynamic Modeling and Analysis of the Proposed Channel Modifications and Grade Control Structure on the Blue River near Byram's Ford Industrial Park, Kansas City, Missouri

    Science.gov (United States)

    Huizinga, Richard J.

    2007-01-01

    The Blue River Channel Modification project being implemented by the U.S. Army Corps of Engineers (USACE) is intended to provide flood protection within the Blue River valley in the Kansas City, Mo., metropolitan area. In the latest phase of the project, concerns have arisen about preserving the Civil War historic area of Byram's Ford and the associated Big Blue Battlefield while providing flood protection for the Byram's Ford Industrial Park. In 1996, the USACE used a physical model built at the Waterways Experiment Station (WES) in Vicksburg, Miss., to examine the feasibility of a proposed grade control structure (GCS) that would be placed downstream from the historic river crossing of Byram's Ford to provide a subtle transition of flow from the natural channel to the modified channel. The U.S. Geological Survey (USGS), in cooperation with the USACE, modified an existing two-dimensional finite element surface-water model of the river between 63d Street and Blue Parkway (the 'original model'), used the modified model to simulate the existing (as of 2006) unimproved channel and the proposed channel modifications and GCS, and analyzed the results from the simulations and those from the WES physical model. Modifications were made to the original model to create a model that represents existing (2006) conditions between the north end of Swope Park immediately upstream from 63d Street and the upstream limit of channel improvement on the Blue River (the 'model of existing conditions'). The model of existing conditions was calibrated to two measured floods. The model of existing conditions also was modified to create a model that represents conditions along the same reach of the Blue River with proposed channel modifications and the proposed GCS (the 'model of proposed conditions'). The models of existing conditions and proposed conditions were used to simulate the 30-, 50-, and 100-year recurrence floods. The discharge from the calibration flood of May 15, 1990, also

  13. Effect of rhodium modification on structures of sulfiede Rh-Mo-K/Al2O3 catalysts studied by XAFS

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    Local structures of the molybdenum sulfide species in the sultided Rh-Mo-K/Al2O3 catalysts with various rhodium loadings have been investigated by XAFS.From the fitting results.the Mo-Mo coordination number for the sample free of rhodium(ca.3.7) is similar to that for the crystalline MoS2,indicating that the supported sulfided molybdenum species mainly present as large pateches of MoS2-like slabs.For the rhodium-modified samples,however,the amplitudes of the Mo-S and Mo-Mo coordination shells are sharply reduced,revealing a high dispersion of the MoS2-like species in the catalysts,The scheme of the microstructures of the sulfided molybdenum species stabilized on the alumina support is discussed based upon the analysis of the EXAFS data.

  14. Reactivity of disulfide bonds is markedly affected by structure and environment: implications for protein modification and stability

    Science.gov (United States)

    Karimi, Maryam; Ignasiak, Marta T.; Chan, Bun; Croft, Anna K.; Radom, Leo; Schiesser, Carl H.; Pattison, David I.; Davies, Michael J.

    2016-12-01

    Disulfide bonds play a key role in stabilizing protein structures, with disruption strongly associated with loss of protein function and activity. Previous data have suggested that disulfides show only modest reactivity with oxidants. In the current study, we report kinetic data indicating that selected disulfides react extremely rapidly, with a variation of 104 in rate constants. Five-membered ring disulfides are particularly reactive compared with acyclic (linear) disulfides or six-membered rings. Particular disulfides in proteins also show enhanced reactivity. This variation occurs with multiple oxidants and is shown to arise from favorable electrostatic stabilization of the incipient positive charge on the sulfur reaction center by remote groups, or by the neighboring sulfur for conformations in which the orbitals are suitably aligned. Controlling these factors should allow the design of efficient scavengers and high-stability proteins. These data are consistent with selective oxidative damage to particular disulfides, including those in some proteins.

  15. Reactivity of disulfide bonds is markedly affected by structure and environment: implications for protein modification and stability.

    Science.gov (United States)

    Karimi, Maryam; Ignasiak, Marta T; Chan, Bun; Croft, Anna K; Radom, Leo; Schiesser, Carl H; Pattison, David I; Davies, Michael J

    2016-12-12

    Disulfide bonds play a key role in stabilizing protein structures, with disruption strongly associated with loss of protein function and activity. Previous data have suggested that disulfides show only modest reactivity with oxidants. In the current study, we report kinetic data indicating that selected disulfides react extremely rapidly, with a variation of 10(4) in rate constants. Five-membered ring disulfides are particularly reactive compared with acyclic (linear) disulfides or six-membered rings. Particular disulfides in proteins also show enhanced reactivity. This variation occurs with multiple oxidants and is shown to arise from favorable electrostatic stabilization of the incipient positive charge on the sulfur reaction center by remote groups, or by the neighboring sulfur for conformations in which the orbitals are suitably aligned. Controlling these factors should allow the design of efficient scavengers and high-stability proteins. These data are consistent with selective oxidative damage to particular disulfides, including those in some proteins.

  16. Dopant-induced modifications in structural and optical properties of ZnO thin films prepared by PLD

    Science.gov (United States)

    Hashmi, Jaweria Z.; Siraj, K.; Naseem, S.; Shaukat, S.

    2016-09-01

    The objective of the present work is to study the effect of yttrium doping concentration on the microstructure and optical behavior of ZnO thin films, deposited by pulsed laser deposition on silicon (001) substrates. The microstructural analysis of doped ZnO thin films shows columnar growth of the ZnO (002) plane under tensile stress, confirmed by Raman shifts of the E2 (high) mode. The optical properties are investigated by using a spectroscopic ellipsometer. Undoped and yttrium-doped ZnO films show high transparency in the visible region, and the estimated optical band gap energy is randomly shifted in the range 2.93-3.1 eV by increasing the yttrium doping level. Yttrium doping in ZnO is limited, which means that at doping concentrations higher than 3 wt.% of yttrium, the structural and optical properties show a shift towards those of undoped ZnO.

  17. Structural and optical modifications of the Ag2WO4/CoPc nanocomposite for potential applications

    Science.gov (United States)

    Sreedevi, A.; Priyanka, K. P.; Babitha, K. K.; Jaseentha, O. P.; Varghese, Thomas

    2016-01-01

    The silver tungstate/cobalt phthalocyanine nanocomposite (Ag2WO4/CoPc was prepared by the simple solvent evaporation method. The as-synthesized nanocomposite was characterized by thermo gravimetric and differential thermal analysis, X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, ultraviolet-visible spectroscopy, photoluminescence spectroscopy and Raman spectroscopy. The structural characterization confirms the formation of the Ag2WO4/CoPc nanocomposite. The ultraviolet-visible spectrum for the Ag2WO4/CoPc nanocomposite shows extended visible absorption in the wavelength range 670-735nm. Photoluminescence spectrum of the nanocomposite shows large intensity and violet-blue emission when excited with near-ultraviolet light. The present study suggests that the synthesized Ag2WO4/CoPc nanocomposite can be a promising material for constructing light emitting diodes, solar cells and optoelectronic devices.

  18. Simultaneous chemical modification and structural transformation of Stöber silica spheres for integration of nanocatalysts

    KAUST Repository

    Yao, Kexin

    2012-01-10

    A synthetic approach has been devised to convert conventional Stöber silica (SiO 2) spheres into a new type of porous structural platform for supporting multicomponent catalysts. With this approach, we have first prepared zinc-doped SiO 2 (Zn-SiO 2) hollow spheres, on which zinc oxide (ZnO) phase and ruthenium (Ru) nanoparticles have been deposited and assembled sequentially in solution phase. A series of complex Ru/ZnO/Zn-SiO 2 nanocatalysts has been thus been integrated onto the zinc-doped SiO 2 supports after additional thermal treatment and reduction. To test their workability under harsh reactive environments, we have further evaluated the above prepared catalysts using arene hydrogenation as model reactions. These integrated nanocatalysts have shown superior activity, high robustness, and easy recovery in the studied heterogeneous catalysis. © 2011 American Chemical Society.

  19. Influence of defect luminescence and structural modification on the electrical properties of Magnesium Doped Zinc Oxide Nanorods

    Science.gov (United States)

    Santoshkumar, B.; Biswas, Amrita; Kalyanaraman, S.; Thangavel, R.; Udayabhanu, G.; Annadurai, G.; Velumani, S.

    2017-06-01

    Magnesium doped zinc oxide nanorod arrays on zinc oxide seed layers were grown by hydrothermal method. X-ray diffraction (XRD) patterns revealed the growth orientation along the preferential (002) direction. The hexagonal morphology was revealed from the field emission scanning electron microscope (FESEM) images. The elemental composition of the samples was confirmed by energy dispersive x-ray analysis spectra (EDS) and mapping dots. Carrier concentration, resistivity and mobility of the samples were obtained by Hall measurements. I-V characteristic curve confirmed the increase in resistivity upon doping. Photoluminescence (PL) spectra exposed the characteristic of UV emission along with defect mediated visible emission in the samples. Electrochemical impedance spectroscopy and cyclic voltammetry were undertaken to study the charge transport property. Owing to the change in the structural parameters and defect concentration the electrical properties of the doped samples were altered.

  20. Effects of structural modifications on the metal binding, anti-amyloid activity, and cholinesterase inhibitory activity of chalcones.

    Science.gov (United States)

    Fosso, Marina Y; LeVine, Harry; Green, Keith D; Tsodikov, Oleg V; Garneau-Tsodikova, Sylvie

    2015-09-28

    As the number of individuals affected with Alzheimer's disease (AD) increases and the availability of drugs for AD treatment remains limited, the need to develop effective therapeutics for AD becomes more and more pressing. Strategies currently pursued include inhibiting acetylcholinesterase (AChE) and targeting amyloid-β (Aβ) peptides and metal-Aβ complexes. This work presents the design, synthesis, and biochemical evaluation of a series of chalcones, and assesses the relationship between their structures and their ability to bind metal ions and/or Aβ species, and inhibit AChE/BChE activity. Several chalcones were found to exhibit potent disaggregation of pre-formed N-biotinyl Aβ1-42 (bioAβ42) aggregates in vitro in the absence and presence of Cu(2+)/Zn(2+), while others were effective at inhibiting the action of AChE.

  1. Structural and morphological modifications of the Co-thin films caused by magnetic field and pH variation

    Energy Technology Data Exchange (ETDEWEB)

    Franczak, Agnieszka [LISM EA 4695, Universite de Reims Champagne-Ardenne, UFR Sciences et Naturelles, Bat. 6, Moulin de la Housse, BP 1039, 51687 Reims Cedex 2 (France); Levesque, Alexandra, E-mail: alexandra.levesque@univ-reims.fr [LISM EA 4695, Universite de Reims Champagne-Ardenne, UFR Sciences et Naturelles, Bat. 6, Moulin de la Housse, BP 1039, 51687 Reims Cedex 2 (France); Bohr, Frederic; Douglade, Jacques; Chopart, Jean-Paul [LISM EA 4695, Universite de Reims Champagne-Ardenne, UFR Sciences et Naturelles, Bat. 6, Moulin de la Housse, BP 1039, 51687 Reims Cedex 2 (France)

    2012-09-01

    Highlights: Black-Right-Pointing-Pointer Co electrodeposits were obtained at high electrolyte temperature under applied magnetic field. Black-Right-Pointing-Pointer The temperature is commonly used in the industrial process. Black-Right-Pointing-Pointer The effects of magnetic field up to 1 T and pH on structure and morphology were investigated. Black-Right-Pointing-Pointer The high process temperature enhances HER which is diminishing by the magnetic field application. - Abstract: Cobalt films were deposited by use of the electrochemical process from a cobalt (II) sulfate solution on a titanium electrode and characterized by scanning electron microscopy (SEM), atomic force microscopy (AFM) and X-ray diffraction (XRD). The experiments at electrolyte temperature of 50 Degree-Sign C were performed which is commonly used in the industrial process. The effects of pH and low uniform magnetic field up to 1 T on structure and morphology changes were investigated. The detected phase composition indicates the presence of both phases: hexagonal centered packed and face centered cubic independent on the pH value and the applied magnetic field amplitude. Calculation of the orientation index of Co phase shows the preferential orientation in the films obtained at higher pH. SEM micro-imagines have shown the nucleus shape transition from coarse-grained to needle-shaped dependent on the application of B-field as well as on the pH variation in the case of higher pH level. Co-films obtained from the electrolyte of low pH were characterized by the fine-grained morphology which was not modified by the influence of magnetic field. AFM images proved the effect on roughness of the Co-films which is closely related with the obtained morphology.

  2. Structural modifications of the salivary conditioning film upon exposure to sodium bicarbonate: implications for oral lubrication and mouthfeel.

    Science.gov (United States)

    Ash, A; Wilde, P J; Bradshaw, D J; King, S P; Pratten, J R

    2016-03-14

    The salivary conditioning film (SCF) that forms on all surfaces in the mouth plays a key role in lubricating the oral cavity. As this film acts as an interface between tongue, enamel and oral mucosa, it is likely that any perturbations to its structure could potentially lead to a change in mouthfeel perception. This is often experienced after exposure to oral hygiene products. For example, consumers that use dentifrice that contain a high concentration of sodium bicarbonate (SB) often report a clean mouth feel after use; an attribute that is clearly desirable for oral hygiene products. However, the mechanisms by which SB interacts with the SCF to alter lubrication in the mouth is unknown. Therefore, saliva and the SCF was exposed to high ionic strength and alkaline solutions to elucidate whether the interactions observed were a direct result of SB, its high alkalinity or its ionic strength. Characteristics including bulk viscosity of saliva and the viscoelasticity of the interfacial salivary films that form at both the air/saliva and hydroxyapatite/saliva interfaces were tested. It was hypothesised that SB interacts with the SCF in two ways. Firstly, the ionic strength of SB shields electrostatic charges of salivary proteins, thus preventing protein crosslinking within the film and secondly; the alkaline pH (≈8.3) of SB reduces the gel-like structure of mucins present in the pellicle by disrupting disulphide bridging of the mucins via the ionization of their cysteine's thiol group, which has an isoelectric point of ≈8.3.

  3. Structural and chemical reactivity modifications of a cobalt perovskite induced by Sr-substitution. An in situ XAS study

    Energy Technology Data Exchange (ETDEWEB)

    Hueso, Jose L.; Holgado, Juan P.; Pereñíguez, Rosa; Gonzalez-DelaCruz, V.M.; Caballero, Alfonso, E-mail: caballero@us.es

    2015-02-01

    LaCoO{sub 3} and La{sub 0.5}Sr{sub 0.5}CoO{sub 3−δ} perovskites have been studied by in situ Co K-edge XAS. Although the partial substitution of La(III) by Sr(II) species induces an important increase in the catalytic oxidation activity and modifies the electronic state of the perovskite, no changes could be detected in the oxidation state of cobalt atoms. So, maintaining the electroneutrality of the perovskite requires the generation of oxygen vacancies in the network. The presence of these vacancies explains that the substituted perovskite is now much more reducible than the original LaCoO{sub 3} perovskite. As detected by in situ XAS, after a consecutive reduction and oxidation treatment, the original crystalline structure of the LaCoO{sub 3} perovskite is maintained, although in a more disordered state, which is not the case for the Sr doped perovskite. So, the La{sub 0.5}Sr{sub 0.5}CoO{sub 3−δ} perovskite submitted to the same hydrogen reduction treatment produces metallic cobalt, while as determined by in situ XAS spectroscopy the subsequent oxidation treatment yields a Co(III) oxide phase with spinel structure. Surprisingly, no Co(II) species are detected in this new spinel phase. - Highlights: • A Sr-substituted lanthanum cobalt perovskite has been prepared by spray pyrolysis. • It has been established that Co(III) cations are present in both perovskites. • LaCoO{sub 3} is a less reducible phase than the substituted La{sub 0.5}Sr{sub 0.5}CoO{sub 3−δ}. • After reoxidation of reduced La{sub 0.5}Sr{sub 0.5}CoO{sub 3−δ}, a 100% Co(III) spinel is obtained.

  4. Structural and chemical modification of Fe-rich smectite associated with microbial Fe-respiration by psychrophilic bacteria in King George Island, West Antarctica

    Science.gov (United States)

    Jung, J.; Kim, J. Y.; Lim, H. S.; Lee, Y. K.; Kim, O. S.; Park, K.; Lee, J.; Yoon, H.; Kim, J. W.

    2015-12-01

    Biotic/abiotic redox reaction is a ubiquitous process in a mineral alteration and an elemental cycling in the sediments/ocean. The role of psychrophiles in clay mineral alteration was tested in the soil for the seven sites from the coast to the inland at Barton Peninsula. Batch experiments of microbe-mineral interaction under the various temperatures (4 ℃, 15 ℃) that mimics the Antarctic condition were performed to understand the mechanism of biogeochemical alteration of clay minerals. After 12 months incubation of the bulk surface soil samples in the M1 minimal medium, the extent of Fe reduction was reached up to 49 and 42 % at 4 ℃ and 15 ℃. The increase in CEC corresponds to the extent of Fe reduction. Moreover, precipitations of secondary phase mineral such as vivianite were observed only in 12 months enrichment samples at 4 ℃ and 15 ℃. Sulfate reducing bacteria and Fe-reducing bacteria capable of reducing Fe were identified by 16S rRNA pyrosequencing. The Fe reduction coupled to oxidation of organic matter might be enhanced by cooperation of a consortium of Sulfate reducing bacteria and Fe-reducing bacteria. Moreover, Nitrate reducing bacteria which have an ability to oxidize ferrous iron anaerobically with nitrate reduction were identified at 15 ℃. The lower values observed in the extent of Fe reduction at 15 ℃ may be associated with Fe-oxidation induced by nitrate reduction.In order to verify the mechanism of microbial Fe reduction in clay minerals at low temperatures (4 and 15 ℃), Fe-rich Nontronite (NAu-1) and Psychrophilic bacteria were incubated for 4 months in anaerobic condition. Total structural Fe in NAu-1 is 16.4 % and 99.6 % of the total Fe is ferric. The extent of Fe reduction in nontronite was reached up to 11.5 % and 11 % at 4 ℃ and 15 ℃, respectively. The structural modification of biologically Fe-reduced nontronite was observed in the (001) peak shift to the lower 2 theta indicating the layer collapse associated with K

  5. Thermally induced structural modifications of nano-sized anatase films and the effects on the dye-TiO{sub 2} surface interactions

    Energy Technology Data Exchange (ETDEWEB)

    Pellegrino, Giovanna [IMM-CNR, Zona Industriale, VIII Strada 5, Catania (Italy); Condorelli, Guglielmo Guido [Università degli Studi di Catania and INSTM UdR Catania, Viale Andrea Doria 6, Catania (Italy); De Rossi, Francesca; Brown, Thomas M. [CHOSE (Centre for Hybrid and Organic Solar Energy), Department of Electronic Engineering, University of Rome—Tor Vergata, via del Politecnico 1, I-00133, Rome (Italy); Giovenale, Francesco [Hamamatsu Photonics Europe, Arzbergerstr. 10, Herrsching am Ammersee, D-82211 (Germany); Bongiorno, Corrado [IMM-CNR, Zona Industriale, VIII Strada 5, Catania (Italy); Alberti, Alessandra, E-mail: alessandra.alberti@imm.cnr.it [IMM-CNR, Zona Industriale, VIII Strada 5, Catania (Italy)

    2014-03-01

    Highlights: • Nanocrystalline TiO{sub 2} layers were deposited by sputtering deposition on glass and ZnO:Al substrates at temperature as low as 150 °C. • The thermal annealing at 500 °C leads to both structural and surface modifications with respect to the as grown films. • The interaction between the dye (TCPP) and theTiO{sub 2} surface is different in the as grown and annealed TiO{sub 2} layers. • Quantum yield and electrical measurements suggest a better electron injection in the as grown layers. - Abstract: Nano-sized TiO{sub 2} films have been grown by DC-Reactive Sputtering at ∼150 °C on [0 0 0 1] ZnO:Al substrates to be applied in Dye Sensitized Solar Cells. The effects of post-deposition thermal treatment at 500 °C on the optical and structural (density, grain size) properties of the TiO{sub 2}/ZnO:Al bi-layers have been investigated in details. The effects of such modifications on the surface properties, have been evaluated by dye-sensitization with 5,10,15,20 Tetrakis(4-carboxyphenyl) porphyrin (TCPP). Different interactions of the probe-molecules with the as grown and annealed TiO{sub 2} surfaces have been observed. In particular, Quantum yield (QY) analysis of TCPP-sensitized films showed that the emitted/absorbed photons ratio in the as grown layers is a factor of ∼3 lower than in the annealed layers. Based on simplified test solar cells, the electron injection is thought to be the most appropriate mechanism to explain the QY results. Our approach gives particular emphasis to the role of the surfaces and the interfaces involved in the TCPP/TiO{sub 2}/AZO multilayer structures with the intent of proposing the as sputtered TiO{sub 2} layer as blocking layer in complete architecture for low thermal budget solutions (<200 °C)

  6. Effect of pH on the chemical modification of quercetin and structurally related flavonoids characterized by optical (UV-visible and Raman) spectroscopy.

    Science.gov (United States)

    Jurasekova, Z; Domingo, C; Garcia-Ramos, J V; Sanchez-Cortes, S

    2014-07-07

    In this work we report the study of the chemical modifications undergone by flavonoids, especially by quercetin (QUC), under alkaline conditions by UV-visible absorption, Raman and surface-enhanced Raman scattering (SERS) spectroscopy, the study was performed in aqueous solution and also on Ag nanoparticles (AgNPs). Several processes are involved in the effect of alkaline pH both in solution and on AgNPs: autoxidation affecting mainly the C-ring of the molecule and giving rise to the molecular fragmentation leading to simpler molecular products, and/or the dimerization and further polymerization leading to species with a higher molecular weight. In addition, there exists a clear structure-instability correlation concerning mainly particular groups in the molecule: the C3-OH group in the C-ring, the catechol moiety in the B-ring and the C2=C3 bond also existing in the C-ring. QUC possesses all these groups and exhibits high instability in alkaline solution. The SERS spectra registered at different pH revealed a change in the dimerization protocol of QUC going from the A- and C-rings-like-condensation to B-ring-like-condensation. Increasing the knowledge of the chemical properties of these compounds and determining the structure-activity relationship under specific environmental factors allow us to improve their beneficial properties for health as well as the preservation of Cultural Heritage objects, for example, by preventing their degradation.

  7. Structural Modification of Diterpenoid Alkaloid Talatisamine%二萜生物碱它拉乌头胺的结构改造

    Institute of Scientific and Technical Information of China (English)

    朱开礼; 刘乐燕

    2011-01-01

    二萜生物碱是一类重要的天然化合物,在具有药性的同时也具有较大的毒性。以二萜生物碱Talatisamine为原料,与一系列的酰氯进行酯化反应,利用现代波谱技术(主要为1HNMR、13CNMR)确定所得产物的结构,共得到了7个非天然二萜生物碱,其中6个为未见文献报道的非天然二萜生物碱。%Diterpenoid alkaloid was an important class of natural compounds that had medicinal properties but aslo had greater toxicity.Some structural modifications were undertaken from talatisamine,which reacted with a series of acyl chlorides.Using madern Pop technology(mainly 1HNMR,13CMMR),the structure of the product obtained was determined,and seven derivatives were got,in which six of them were unreported diterpenoid alkaloids.

  8. Modifications in surface, structural and mechanical properties of brass using laser induced Ni plasma as an ion source

    Directory of Open Access Journals (Sweden)

    Shahbaz Ahmad

    2016-03-01

    Full Text Available Laser induced Ni plasma has been employed as source of ion implantation for surface, structural and mechanical properties of brass. Excimer laser (248 nm, 20 ns, 120mJ and 30 Hz was used for the generation of Ni plasma. Thomson parabola technique was employed to estimate the energy of generated ions using CR39 as a detector. In response to stepwise increase in number of laser pulses from 3000 to 12000, the ion dose varies from 60 × 1013 to 84 × 1016 ions/cm2 with constant energy of 138 KeV. SEM analysis reveals the growth of nano/micro sized cavities, pores, pits, voids and cracks for the ion dose ranging from 60 × 1013 to 70 × 1015 ions/cm2. However, at maximum ion dose of 84 × 1016 ions/cm2 the granular morphology is observed. XRD analysis reveals that new phase of CuZnNi (200 is formed in the brass substrate after ion implantation. However, an anomalous trend in peak intensity, crystallite size, dislocation line density and induced stresses is observed in response to the implantation with various doses. The increase in ion dose causes to decrease the Yield Stress (YS, Ultimate Tensile Strength (UTS and hardness. However, for the maximum ion dose the highest values of these mechanical properties are achieved. The variations in the mechanical properties are correlated with surface and crystallographical changes of ion implanted brass.

  9. Long-term monitoring of a PSC box girder bridge: Operational modal analysis, data normalization and structural modification assessment

    Science.gov (United States)

    Cury, Alexandre; Cremona, Christian; Dumoulin, John

    2012-11-01

    For reliable performance of vibration-based damage detection algorithms, it is important to distinguish abnormal changes in modal parameters caused by structural damage from normal changes due to environmental fluctuations. This paper firstly addresses the modeling of temperature effects on modal frequencies of a PSC box girder bridge located on the A1 motorway in France. Based on a six-month monitoring experimental program, modal frequencies of the first seven mode shapes and temperatures have been measured at three hour intervals. Neural networks are then introduced to formulate regression models for quantifying the effect of temperature on modal parameters (frequencies and mode shapes). In 2009, this bridge underwent a strengthening procedure. In order to assess the effect of strengthening on the vibration characteristics of the bridge, modal properties had to be corrected from temperature influence. Thus, the first goal is to assess the changes on the vibration signature of this bridge induced by the strengthening. For this purpose, classical statistical analysis and clustering methods are applied to the data recorded over the period after strengthening. The second goal is to evaluate the influence of temperature effects on the clustering results. It comes that the temperature correction significantly improves the confidence in the novelty detection and in the strengthening efficiency.

  10. Modification of chemical, optical and structural properties of Bayfol CR-6-2 using gamma and neutron irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Shehata, Mohamed M.; Radwan, Samh I.; Hassan, Amin [Atomic Energy Authority, Cairo (Egypt). Nuclear Research Centre; Waly, Sayed A. [Atomic Energy Authority, Cairo (Egypt). Second Research Reactor; Badawy, Zaynab M. [Atomic Energy Authority, Cairo (Egypt). Experimental Nuclear Physics Dept.

    2016-08-01

    The effects of gamma and neutron irradiations on the chemical, optical and structural properties of Bayfol CR-6-2 were investigated. The samples were irradiated by γ-rays from a {sup 60}Co source at various doses ranging between 16 and 900 kGy at room temperature in atmospheric air. For neutrons, an Am-Be neutron facility was used for the sample irradiation in thermal mode which had an activity of 185 GBq. Samples were irradiated with different doses of neutrons ranging from 15.7 to 564.2 mGy. The changes induced were analyzed using UV-Vis and Fourier transform infrared (FTIR) spectrometry. The results demonstrated an occurrence of oxidative degradation, resulting in the formation of carbonyl groups at 1700 cm{sup -1}. Simultaneous thermo-gravimetric investigation (TGA) has been performed on the samples of 0.3 mm thickness. The results obtained indicate that cross-linking predominates at small neutron doses and main chain scission happens at higher doses.

  11. Effect of KNbO3 modification on structural, electrical and magnetic properties of BiFeO3

    Science.gov (United States)

    Dash, Swagatika; Choudhary, R. N. P.; Das, Piyush R.; Kumar, Ashok

    2015-03-01

    The polycrystalline samples of (Bi1- x K x ) (Fe1- x Nb x ) O3 (BKFN) for x = 0.0, 0.1, 0.2 and 0.3 were synthesized by a solid-state reaction method. The X-ray diffraction patterns of BKFN exhibit that the addition of KNbO3 in BiFeO3 gradually changes its structure from rhombohedral to pseudocubic. The analysis of scanning electron micrograph clearly showed that the sintered samples have well-defined and uniformly distributed grains. Addition of KNbO3 to BiFeO3 enhances the dielectric, ferroelectric and ferromagnetic properties of BiFeO3. Detailed studies of impedance and related parameters of BKFN using the complex impedance spectroscopic technique exhibit the significant contributions of grain and grain boundaries in the resistive and transport properties of the materials. Some oxygen vacancies created in the ceramic samples during high-temperature processing play an important role in the conduction mechanism. The leakage current or tangent loss of BiFeO3 is greatly reduced on addition of KNbO3 to the parent compound BiFeO3. Preliminary studies of ferroelectric and magnetic characteristics of the samples reveal the existence of ferroelectric, and weak ferromagnetic ordered ceramics.

  12. Photocatalytic activity enhancement of TiO{sub 2} films by micro and nano-structured surface modification

    Energy Technology Data Exchange (ETDEWEB)

    Bizarro, M., E-mail: monserrat@iim.unam.mx [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, A.P. 70-360, Coyoacan 04510, D.F. (Mexico); Tapia-Rodriguez, M.A. [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, A.P. 70-360, Coyoacan 04510, D.F. (Mexico); Ojeda, M.L. [Departamento de Ciencias Naturales y Exactas, Universidad de Guadalajara, Centro Universitario de los Valles, C.P. 46600 Ameca, Jalisco (Mexico); Alonso, J.C.; Ortiz, A. [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, A.P. 70-360, Coyoacan 04510, D.F. (Mexico)

    2009-04-01

    Titanium oxide thin films were deposited by spin coating using a precursor solution of titanium oxide (IV) acetylacetonate. To increase the contact surface area of the films, TiO{sub 2} microspheres were added to the surface of the films. These spheres were 2 {mu}m in diameter and formed agglomerates on the surface. They did not spread uniformly across the substrate, creating different roughnesses and morphologies along the surface of films. Photocatalytic properties of the samples were tested by the degradation of a methyl orange solution. The degradation performance was compared between plain films, films with microspheres and films covered with commercial TiO{sub 2} P25 powder. The results indicate that the samples that were surface modified with TiO{sub 2} microspheres present a photodegradation reaction rate 62 times higher than that obtained for plain TiO{sub 2} films. The rate of reaction of the samples covered with P25 was 2 times greater than that obtained for the samples with microspheres, but the adhesion to the film was better in the case of microspheres. Moreover, samples with microspheres could be reused several times maintaining the same structural and photocatalytic properties.

  13. The Influence of Molecular Structure Modifications on Vibrational Properties of Some Beta Blockers: A Combined Raman and DFT Study

    Directory of Open Access Journals (Sweden)

    A. Farcaș

    2016-01-01

    Full Text Available We report results of a systematic Raman, SERS, and DFT study on four beta blocking molecules: Atenolol, Metoprolol, Propranolol, and, for the first time reported in the literature, Bisoprolol. The choice of these molecules was motivated by the structural similarities between Atenolol, Bisoprolol, and Metoprolol on one hand and by their differences relative to Propranolol. The density functional theory (DFT approach, using the B3LYP method at the 6-311+G(d,p level of theory, has been employed for geometry optimization and vibration bands assignments. The obtained results highlight the major role played by the central aromatic ring whose vibrations dominate the Raman spectra in all compounds. While the phenyl group vibrations dominate the Raman spectrum in the case of Atenolol, Bisoprolol, and Metoprolol, the spectrum of Propranolol presents high intensity vibrations of the naphthyl group. SERS performed on gold and silver colloids, at various pH conditions, revealed a higher sensitivity for Propranolol detection. The pH dependence of the spectrum indicates that the studied beta blockers attach themselves to the metal nanoparticles in a protonated form. The molecular adsorption geometry on metal nanoparticles surface has been evaluated by using the experimental SER spectra and the quantum chemical calculations.

  14. Electrochemical modification process of anodic alumina membrane

    Institute of Scientific and Technical Information of China (English)

    YU Mei; LIU Jian-hua; LI Song-mei

    2006-01-01

    The modification procedure of anodic alumina membrane(AAM) was studied. The AAM structure after modification was characterized by nickel nanowires prepared in AAM. Scanning electron microscopy was used to characterize the topography and structure properties of the AAM and nickel nanowires. The transformation of the current during the voltage reduction was studied. The mechanism of current and structure change during modification was discussed. The results show that a root structure produces after the AAM modification. The length of the root structure depends on the velocity of the voltage reduction. Slow voltage reduction leads to a large length of the root structure,otherwise,a short length of the root structure. At the end of the modification,the barrier layer is thin enough to be passed by electrons. Hence,the direct electrodeposition of one-dimensional nanowires can be carried out on the AAM with barrier layer and aluminum matrix successfully without any other treatments.

  15. Influence of landscape structure and human modifications on insect biomass and bat foraging activity in an urban landscape.

    Directory of Open Access Journals (Sweden)

    Caragh G Threlfall

    Full Text Available Urban landscapes are often located in biologically diverse, productive regions. As such, urbanization may have dramatic consequences for this diversity, largely due to changes in the structure and function of urban communities. We examined the influence of landscape productivity (indexed by geology, housing density and vegetation clearing on the spatial distribution of nocturnal insect biomass and the foraging activity of insectivorous bats in the urban landscape of Sydney, Australia. Nocturnal insect biomass (g and bat foraging activity were sampled from 113 sites representing backyard, open space, bushland and riparian landscape elements, across urban, suburban and vegetated landscapes within 60 km of Sydney's Central Business District. We found that insect biomass was at least an order of magnitude greater within suburban landscapes in bushland and backyard elements located on the most fertile shale influenced geologies (both p<0.001 compared to nutrient poor sandstone landscapes. Similarly, the feeding activity of bats was greatest in bushland, and riparian elements within suburbs on fertile geologies (p = 0.039. Regression tree analysis indicated that the same three variables explained the major proportion of the variation in insect biomass and bat foraging activity. These were ambient temperature (positive, housing density (negative and the percent of fertile shale geologies (positive in the landscape; however variation in insect biomass did not directly explain bat foraging activity. We suggest that prey may be unavailable to bats in highly urbanized areas if these areas are avoided by many species, suggesting that reduced feeding activity may reflect under-use of urban habitats by bats. Restoration activities to improve ecological function and maintain the activity of a diversity of bat species should focus on maintaining and restoring bushland and riparian habitat, particularly in areas with fertile geology as these were key bat

  16. Structural modifications leading to changes in supramolecular aggregation of thiazolo[3, 2-]pyrimidines: Insights into their conformational features

    Indian Academy of Sciences (India)

    H Nagarajaiah; Noor Shahina Begum

    2014-09-01

    The compounds, 7-methyl-3,5-diphenyl-5-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester (1), 3-amino-2-cyano-7-methyl-5-phenyl-5-thiazolo[3,2-]pyrimidine-6-carboxylic acid methyl ester (2), 2-dimethylaminomethylene-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5-thiazolo[3,2-]pyrimidine-6-carboxylic acid ethyl ester (3), 2-(3-cyano-benzylidene)-5-(4-hydroxy-phenyl)-7-methyl-3-oxo-2,3-dihydro-5-thiazolo[3,2-]pyrimidine-6-carboxylic acid methyl ester; with ,-dimethyl-formamide (4) and 3-ethoxycarbonylmethyl-5-(4-hydroxy-3-methoxy-phenyl)-7-methyl-5-thiazolo[3,2-]pyrimidine-6-carboxylic acid methyl ester (5) have been synthesized and their structures evaluated crystallographically. Compound 1 crystallizes in the space group $\\bar{ı}$ with Z=8, with four molecules in the asymmetric unit. Compound 2 also crystallizes in the space group $\\bar{ı}$ with Z=4 wherein asymmetric unit accommodates two molecules. Compound 3 belongs to 21/ with Z=4, compound 4 crystallizes in bc21 with Z= 4 and compound 5 belongs to $\\bar{ı}$ with Z=2. In all the above compounds, the aryl ring positioned at C5 of thiazolopyrimidine ring is almost perpendicular. In the case of compounds with substituted phenyl ring, aryl group-up conformation predominates. However, for compounds with unsubstituted phenyl ring, aryl group-down conformation is adopted. By varying the substituents at positions C2, C3, C6 and on the aryl at C5 in the main molecular scaffold of (1-5), we have observed significant differences in the intermolecular interaction patterns. The packing features of the compounds are controlled by C-H…O, C-H…N, N-H…N O-H…N, C-H$\\ldots$ and $\\ldots$ weak interactions.

  17. Structural modification of resveratrol leads to increased anti-tumor activity, but causes profound changes in the mode of action

    Energy Technology Data Exchange (ETDEWEB)

    Scherzberg, Maria-Christina; Kiehl, Andreas; Zivkovic, Aleksandra; Stark, Holger [Institute of Pharmaceutical Chemistry, Biozentrum, Goethe University, Max-von-Laue-Str. 9, 60438 Frankfurt am Main (Germany); Stein, Jürgen [Institute of Pharmaceutical Chemistry, Biozentrum, Goethe University, Max-von-Laue-Str. 9, 60438 Frankfurt am Main (Germany); Department of Internal Medicine, Sachsenhausen Hospital, Frankfurt am Main (Germany); Fürst, Robert [Institute of Pharmaceutical Biology, Biozentrum, Goethe University, Max-von-Laue-Str. 9, 60438 Frankfurt am Main (Germany); Steinhilber, Dieter [Institute of Pharmaceutical Chemistry, Biozentrum, Goethe University, Max-von-Laue-Str. 9, 60438 Frankfurt am Main (Germany); Ulrich-Rückert, Sandra, E-mail: sandra.ulrich@em.uni-frankfurt.de [Institute of Pharmaceutical Chemistry, Biozentrum, Goethe University, Max-von-Laue-Str. 9, 60438 Frankfurt am Main (Germany)

    2015-08-15

    (Z)-3,5,4′-Trimethoxystilbene (Z-TMS) is a resveratrol analog with increased antiproliferative activity towards a number of cancer cell lines compared to resveratrol, which has been shown to inhibit tubulin polymerization in vitro. The purpose of this study was to investigate if Z-TMS still shows potential for the prevention of metabolic diseases as known for resveratrol. Cell growth inhibition was determined with IC{sub 50} values for Z-TMS between 0.115 μM and 0.473 μM (resveratrol: 110.7 μM to 190.2 μM). Flow cytometric analysis revealed a G{sub 2}/M arrest after Z-TMS treatment, whereas resveratrol caused S phase arrest. Furthermore, Z-TMS was shown to impair microtubule polymerization. Beneficial effects on lipid accumulation were observed for resveratrol, but not for Z-TMS in an in vitro steatosis model. (E)-Resveratrol was confirmed to elevate cAMP levels, and knockdown of AMPK attenuated the antiproliferative activity, while Z-TMS did not show significant effects in these experiments. SIRT1 and AMPK activities were further measured indirectly via induction of the target gene small heterodimer partner (SHP). Thereby, (E)-resveratrol, but not Z-TMS, showed potent induction of SHP mRNA levels in an AMPK- and SIRT1-dependent manner, as confirmed by knockdown experiments. We provide evidence that Z-TMS does not show beneficial metabolic effects, probably due to loss of activity towards resveratrol target genes. Moreover, our data support previous findings that Z-TMS acts as an inhibitor of tubulin polymerization. These findings confirm that the methylation of resveratrol leads to profound changes in the mode of action, which should be taken into consideration when conducting lead structure optimization approaches. - Highlights: • Methylation of resveratrol leads to profound changes in biologic activity. • Z-TMS does not prevent hepatic steatosis, but inhibits tubulin polymerization. • Resveratrol analog Z-TMS does not influence known targets like

  18. Randomised, controlled trial of avocado–soybean unsaponifiable (Piascledine) effect on structure modification in hip osteoarthritis: the ERADIAS study

    Science.gov (United States)

    Maheu, Emmanuel; Cadet, Christian; Marty, Marc; Moyse, Dominique; Kerloch, Isabelle; Coste, Philippe; Dougados, Maxime; Mazières, Bernard; Spector, Tim D; Halhol, Hafid; Grouin, Jean-Marie; Lequesne, Michel

    2014-01-01

    Objective To assess the ability of avocado–soybean unsaponifiable—Expanscience (ASU-E) to slow radiographic progression in symptomatic hip osteoarthritis (OA). Methods Prospective, randomised, double blind, parallel group, placebo controlled 3 year trial. Patients with symptomatic (painful ≥1 year, Lequesne Index between 3 and 10) hip OA (American College of Rheumatology criteria) and a minimum joint space width (JSW) of the target hip between 1 and 4 mm on a pelvic radiograph were randomly assigned to 300 mg/day ASU-E or placebo. Standing pelvis, target hip anteroposterior (AP) and oblique views were taken annually. The primary outcome was JSW change at year 3, measured at the narrowest point on pelvic or target hip AP view (manual measure using a 0.1 mm graduated magnifying glass). The full analysis dataset (FAS) included all patients having at least two successive radiographs. An analysis of covariance Mixed Model for Repeated Measurements with Missing at Random (for missing data) was performed to compare adjusted 3 year JSW changes (primary outcome) and the percentages of ‘progressors’ (JSW loss≥0.5 mm) between groups. Results 399 patients were randomised (345 kept in the FAS), aged 62 (35–84) years, 54% women, mean body mass index 27 (SD 4) kg/m2, mean symptom duration 4 (SD 5) years, 0–100 normalised Lequesne Index 30 (SD 9) and global pain visual analogue scale 37 (SD 23) mm. Mean baseline JSW was 2.8 (0.9) mm. There was no significant difference on mean JSW loss (−0.638 mm vs −0.672 mm, p=0.72, in the ASU-E and placebo groups, respectively) but there were 20% less progressors in the ASU-E than in the placebo group (40% vs 50%, respectively, p=0.040). No difference was observed on clinical outcomes. Safety was excellent. Conclusions 3 year treatment with ASU-E reduces the percentage of JSW progressors, indicating a potential structure modifying effect in hip OA to be confirmed, and the clinical relevance requires

  19. Amines are likely to enhance neutral and ion-induced sulfuric acid-water nucleation in the atmosphere more effectively than ammonia

    Directory of Open Access Journals (Sweden)

    T. Kurtén

    2008-07-01

    Full Text Available We have studied the structure and formation thermodynamics of dimer clusters containing H2SO4 or HSO4 together with ammonia and seven different amines possibly present in the atmosphere, using the high-level ab initio methods RI-MP2 and RI-CC2. As expected from e.g. proton affinity data, the binding of all studied amine-H2SO4 complexes is significantly stronger than that of NH3•H2SO4, while most amine-HSO4 complexes are only somewhat more strongly bound than NH3•HSO4. Further calculations on larger cluster structures containing dimethylamine or ammonia together with two H2SO4 molecules or one H2SO4 molecule and one HSO4 ion demonstrate that amines, unlike ammonia, significantly assist the growth of not only neutral but also ionic clusters along the H2SO4 co-ordinate. A sensitivity analysis indicates that the difference in complexation free energies for amine- and ammonia-containing clusters is large enough to overcome the mass-balance effect caused by the fact that the concentration of amines in the atmosphere is probably 2 or 3 orders of magnitude lower than that of ammonia. This implies that amines might be more important than ammonia in enhancing neutral and especially ion-induced sulfuric acid-water nucleation in the atmosphere.

  20. Amines are likely to enhance neutral and ion-induced sulfuric acid-water nucleation in the atmosphere more effectively than ammonia

    Directory of Open Access Journals (Sweden)

    T. Kurtén

    2008-04-01

    Full Text Available We have studied the structure and formation thermodynamics of dimer clusters containing H2SO4 or HSO4 together with ammonia and seven different amines possibly present in the atmosphere, using the high-level ab initio methods RI-MP2 and RI-CC2. As expected from e.g. proton affinity data, the binding of all studied amine – H2SO4 complexes is significantly stronger than that of NH3•H2SO4, while most amine – HSO4 complexes are only somewhat more strongly bound than NH3•HSO4. Further calculations on larger cluster structures containing dimethylamine or ammonia together with two H2SO4 molecules or one H2SO4 molecule and one HSO4 ion demonstrate that amines, unlike ammonia, significantly assist the growth of not only neutral but also ionic clusters along the H2SO4 co-ordinate. A sensitivity analysis indicates that the difference in complexation free energies for amine- and ammonia-containing clusters is large enough to overcome the mass-balance effect caused by the fact that the concentration of amines in the atmosphere is probably 2 or 3 orders of magnitude lower than that of ammonia. This implies that amines might be more important than ammonia in enhancing neutral and especially ion-induced sulfuric acid-water nucleation in the atmosphere.

  1. Ab initio treatment of ion-induced charge transfer dynamics of isolated 2-deoxy-D-ribose.

    Science.gov (United States)

    Bacchus-Montabonel, Marie-Christine

    2014-08-21

    Modeling-induced radiation damage in biological systems, in particular, in DNA building blocks, is of major concern in cancer therapy studies. Ion-induced charge-transfer dynamics may indeed be involved in proton and hadrontherapy treatments. We have thus performed a theoretical approach of the charge-transfer dynamics in collision of C(4+) ions and protons with isolated 2-deoxy-D-ribose in a wide collision energy range by means of ab initio quantum chemistry molecular methods. The comparison of both projectile ions has been performed with regard to previous theoretical and experimental results. The charge transfer appears markedly less efficient with the 2-deoxy-D-ribose target than that with pyrimidine nucleobases, which would induce an enhancement of the fragmentation process in agreement with experimental measurements. The mechanism has been analyzed with regard to inner orbital excitations, and qualitative tendencies have been pointed out for studies on DNA buiding block damage.

  2. Mitigation of ion-induced drift instability in electron plasma by a transverse current through the Landau-resonant layer

    Science.gov (United States)

    Kabantsev, A. A.; Driscoll, C. F.

    2016-10-01

    Experiments and theory on electron columns have characterized an algebraic damping of diocotron modes, caused by a flux of electrons through the resonance (critical) layer. This flux-driven damping also eliminates the ion-induced exponential instability of diocotron modes. Our plasmas rotate at rate ωE × B, and the (nominally stable) diocotron modes are described by amplitude Ad ,kz = 0 ,mθ = 1 , 2 , . . , frequency ωd(mθ) , and a wave/plasma critical radius rc(mθ) , where ωE × B(rc) =ωd/mθ mθ. External fields produce a low density (1/100) halo of electrons moving radially outward from the plasma core, with flux rate F ≡(- 1/-1Ne) dNe/dt) dNe dt. We find that algebraicdamping of the diocotron modes begins when the halo reaches the critical radius rc(mθ) , proceeding as Ad(Δt) =Ad(0) - γΔt , with γ = β(mθ) F . We also investigated the diocotron instability which occurs when a small number of ions are transiting the electron plasma. Dissimilar bounce-averaged drifts of electrons and ions polarize the diocotron mode density perturbations, developing instability analogous to the classical flute instability. The exponential growth rate Γ is proportional to the fractional neutralization (Ni/Ne) and to the separation between electrons and ions in the wave perturbation. We have found that the algebraic damping can suppress the exponential ion-induced instability only for amplitudes satisfying Ad <= βF/Γ. Supported by NSF Grant PHY-1414570, DOE Grants DE-SC0002451.

  3. Structure-Function, Stability, and Chemical Modification of the Cyanobacterial Cytochrome b[subscript 6]f Complex from Nostoc sp. PCC 7120

    Energy Technology Data Exchange (ETDEWEB)

    Baniulis, Danas; Yamashita, Eiki; Whitelegge, Julian P.; Zatsman, Anna I.; Hendrich, Michael P.; Hasan, S. Saif; Ryan, Christopher M.; Cramer, William A.; (Semel); (Purdue); (Osaka)

    2009-06-08

    The crystal structure of the cyanobacterial cytochrome b{sub 6}f complex has previously been solved to 3.0-{angstrom} resolution using the thermophilic Mastigocladus laminosus whose genome has not been sequenced. Several unicellular cyanobacteria, whose genomes have been sequenced and are tractable for mutagenesis, do not yield b{sub 6}f complex in an intact dimeric state with significant electron transport activity. The genome of Nostoc sp. PCC 7120 has been sequenced and is closer phylogenetically to M. laminosus than are unicellular cyanobacteria. The amino acid sequences of the large core subunits and four small peripheral subunits of Nostoc are 88 and 80% identical to those in the M. laminosus b{sub 6}f complex. Purified b{sub 6}f complex from Nostoc has a stable dimeric structure, eight subunits with masses similar to those of M. laminosus, and comparable electron transport activity. The crystal structure of the native b{sub 6}f complex, determined to a resolution of 3.0{angstrom} (PDB id: 2ZT9), is almost identical to that of M. laminosus. Two unique aspects of the Nostoc complex are: (i) a dominant conformation of heme b{sub p} that is rotated 180 deg. about the {alpha}- and {gamma}-meso carbon axis relative to the orientation in the M. laminosus complex and (ii) acetylation of the Rieske iron-sulfur protein (PetC) at the N terminus, a post-translational modification unprecedented in cyanobacterial membrane and electron transport proteins, and in polypeptides of cytochrome bc complexes from any source. The high spin electronic character of the unique heme cn is similar to that previously found in the b{sub 6}f complex from other sources.

  4. Structural and Chemical Modification of Fe-Rich Smectite Associated with Microbial Fe-Respiration By Psychrophilic Bacteria in King George Island, West Antarctica

    Science.gov (United States)

    Jung, J.; Kim, J.; Lim, H. S.; Yoon, H.; Lee, Y. K.; Park, K.; Lee, J.; Kim, J. W.

    2014-12-01

    Surface soil samples were collected from Antarctic exploration (2010/2011, 2011/2012) at Barton Peninsula, King George Island, West Antarctica to determine the feasible biological alteration of clay minerals in Antarctica where the physical weathering is considered to be a major process. Seven areas (1226-1, 1226-2, 0101-4, 0105-1, 0105-2, 0107-2, 0107-3) from the coast toward the inland were investigated. The duration of exposure of soil samples to the air depending on the retraction of ice to the inland may affect the microbial activity resulting in the biogeochemical mineral alteration. The multiline of techniques for example, X-ray diffraction (XRD), Scanning Electron Microscope (SEM), wet chemistry analysis including the extent of Fe(III) reduction, and batch experiments of microbe-mineral interaction under the low temperature that mimics the Antarctic condition to understand the mechanism of biogeochemical alteration of clay minerals. Clay minerals of smectite, mica, chlorite and kaolinite were detected in the XRD profiles. The variation of relative amount of clay minerals in the regions indicated that the physical/biological alteration might be different depending on the duration of ice retraction. From the batch experiment using Nontronite (NAu-1), moreover, we confirm that Psychrophilic bacteria (Shewanella sp. isolated from King George Island) reduce structural Fe(III) of clay mineral, and occur structural change of smectite at low temperature (4℃ and 15℃). The present study, therefore, would present the feasibility of biological effects on chemical modification through the structural changes in clay mineral in cold environment and suggest a new pathway of Fe-supply into the Antarctic Ocean.

  5. Structure of a Putative Lipoate Protein Ligase from Thermoplasma acidophilum and the Mechanism of Target Selection for Post-Translational Modification

    Energy Technology Data Exchange (ETDEWEB)

    McManus,E.; Luisi, B.; Perham, R.

    2006-01-01

    Lipoyl-lysine swinging arms are crucial to the reactions catalysed by the 2-oxo acid dehydrogenase multienzyme complexes. A gene encoding a putative lipoate protein ligase (LplA) of Thermoplasma acidophilum was cloned and expressed in Escherichia coli. The recombinant protein, a monomer of molecular mass 29 kDa, was catalytically inactive. Crystal structures in the absence and presence of bound lipoic acid were solved at 2.1 Angstroms resolution. The protein was found to fall into the a/{beta} class and to be structurally homologous to the catalytic domains of class II aminoacyl-tRNA synthases and biotin protein ligase, BirA. Lipoic acid in LplA was bound in the same position as biotin in BirA. The structure of the T. acidophilum LplA and limited proteolysis of E. coli LplA together highlighted some key features of the post-translational modification. A loop comprising residues 71-79 in the T. acidophilumligase is proposed as interacting with the dithiolane ring of lipoic acid and discriminating against the entry of biotin. A second loop comprising residues 179-193 was disordered in the T. acidophilum structure; tryptic cleavage of the corresponding loop in the E. coli LplA under non-denaturing conditions rendered the enzyme catalytically inactive, emphasizing its importance. The putative LplA of T. acidophilum lacks a C-terminal domain found in its counterparts in E. coli (Gram-negative) or Streptococcus pneumoniae (Gram-positive). A gene encoding a protein that appears to have structural homology to the additional domain in the E. coli and S. pneumoniae enzymes was detected alongside the structural gene encoding the putative LplA in the T. acidophilum genome. It is likely that this protein is required to confer activity on the LplA as currently purified, one protein perhaps catalysing the formation of the obligatory lipoyl-AMP intermediate, and the other transferring the lipoyl group from it to the specific lysine residue in the target protein.

  6. The Ability to Structure Acoustic Material as a Measure of Musical Aptitude. 4. Experiences with Modifications of the Acoustic Structuring Test. Research Bulletin. No. 51.

    Science.gov (United States)

    Karma, Kai

    Four new versions of an acoustic structuring test were developed, administered, and analyzed in order to produce better tests and to contribute to better understanding of the abilities measured by these tests. The tests consist of tape recordings of patterns of musical notes played on an electric organ or an acoustic guitar. Item analyses and…

  7. Synthesis and Structure Control of A New Kind of Inelastomer Impact Modifier with Core-shell Structure and Impact Modification to PVC/CPE

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    A new kind of inelastomer impact modifier with a core-shell structure was synthesized by employing a multi-step composite emulsion polymerization technique, the size and morphology structure of the core-shell particles could be controlled by the multi-step composite emulsion polymerization technique. The study of the impact strength and the elongation at break of the PVC/CPE blend with different contents of core-shell particles(C-S) indicated that the mechanical properties of PVC/CPE/C-S composite were the best when the concentration of the particle was 2.5%(mass fraction) which showed the different regularities and characteristics of elastomer toughening plastic.

  8. Modification of structural and magnetic properties of soft magnetic multi-component metallic glass by 80 MeV {sup 16}O{sup 6+} ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Kane, S.N., E-mail: kane_sn@yahoo.com [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Shah, M.; Satalkar, M.; Gehlot, K. [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Kulriya, P.K.; Avasthi, D.K. [Inter-University Accelerator Centre, P.O. Box No. 10502, Aruna Asaf Ali Marg, New Delhi 110067 (India); Sinha, A.K. [Raja Ramanna Centre for Advanced Technology, P.O. CAT, Indore 452013 (India); Modak, S.S. [Physics Department, Jaypee University of Eng. & Tech., A-B Road, Raghogarh, Guna 473226 (India); Ghodke, N.L.; Reddy, V.R. [UGC-DAE CSR, University Campus, Khandwa Road, Indore 452001 (India); Varga, L.K. [RISSPO, Hungarian Academy of Sciences, P.O. Box 49, 1525 Budapest (Hungary)

    2016-07-15

    Effect of 80 MeV {sup 16}O{sup 6+} ion irradiation in amorphous Fe{sub 77}P{sub 8}Si{sub 3}C{sub 5}Al{sub 2}Ga{sub 1}B{sub 4} alloy is reported. Electronic energy loss induced modifications in the structural and, magnetic properties were monitored by synchrotron X-ray diffraction (SXRD), Mössbauer and, magnetic measurements. Broad amorphous hump seen in SXRD patterns reveals the amorphous nature of the studied specimens. Mössbauer measurements suggest that: (a) alignment of atomic spins within ribbon plane, (b) changes in average hyperfine field suggests radiation-induced decrease in the inter atomic distance around Mössbauer (Fe) atom, (c) hyperfine field distribution confirms the presence of non-magnetic elements (e.g. – B, P, C) in the first near-neighbor shell of the Fe atom, thus reducing its magnetic moment, and (d) changes in isomer shift suggests variation in average number of the metalloid near neighbors and their distances. Minor changes in soft magnetic behavior – watt loss and, coercivity after an irradiation dose of 2 × 10{sup 13} ions/cm{sup 2} suggests prospective application of Fe{sub 77}P{sub 8}Si{sub 3}C{sub 5}Al{sub 2}Ga{sub 1}B{sub 4} alloy as core material in accelerators (radio frequency cavities).

  9. Sputtering and crystalline structure modification of bismuth thin films deposited onto silicon substrates under the impact of 20-160 keV Ar{sup +} ions

    Energy Technology Data Exchange (ETDEWEB)

    Mammeri, S. [CRNA/Division des Techniques Nucleaires, B.P. 399, 02 Bd. Frantz Fanon, Alger-Gare, Algiers (Algeria); Ouichaoui, S., E-mail: souichaoui@gmail.co [USTHB/Faculte de Physique, B.P. 32, El-Alia, 16111 Bab Ezzouar, Algiers (Algeria); Ammi, H. [CRNA/Division des Techniques Nucleaires, B.P. 399, 02 Bd. Frantz Fanon, Alger-Gare, Algiers (Algeria); Zemih, R. [USTHB/Faculte de Physique, B.P. 32, El-Alia, 16111 Bab Ezzouar, Algiers (Algeria)

    2010-01-15

    The sputtering of bismuth thin films induced by 20-160 keV Ar{sup +} ions has been studied using Rutherford backscattering spectrometry, scanning electron microscopy and X-ray energy dispersive and diffraction spectroscopy. These techniques revealed increasing modifications of the Bi film surfaces with increasing both ion beam energy and fluence up to their complete deterioration under irradiation conditions E = 160 keV and phi = 1.5 x 10{sup 16} cm{sup -2}, leaving isolated islands of preferred (0 1 2) orientation on the Si substrate. The observed surface morphology and crystalline structure evolutions are likely due to a complex interplay of interaction mechanisms involving both elastic nuclear collisions and inelastic electronic ones. The measured Bi sputtering yields versus Ar{sup +} ion fluence for a fixed ion energy exhibit a significant depression at very low phi-values followed by a steady state regime above approx2.0 x 10{sup 14} cm{sup -2}. Measured sputtering yields versus Ar{sup +} ion energy with fixing ion fluence to 1.2 x 10{sup 16} cm{sup -2} in the upper part of the yield saturation regime are also reported. Their comparison to theoretical model and SRIM 2008 Monte Carlo simulation predictions is discussed.

  10. Structural optimization and evaluation of butenolides as potent antifouling agents: modification of the side chain affects the biological activities of compounds

    KAUST Repository

    Li, Yongxin

    2012-09-01

    A recent global ban on the use of organotin compounds as antifouling agents has increased the need for safe and effective antifouling compounds. In this study, a series of new butenolide derivatives with various amine side chains was synthesized and evaluated for their anti-larval settlement activities in the barnacle, Balanus amphitrite. Side chain modification of butenolide resulted in butenolides 3c-3d, which possessed desirable physico-chemical properties and demonstrated highly effective non-toxic anti-larval settlement efficacy. A structure-activity relationship analysis revealed that varying the alkyl side chain had a notable effect on anti-larval settlement activity and that seven to eight carbon alkyl side chains with a tert-butyloxycarbonyl (Boc) substituent on an amine terminal were optimal in terms of bioactivity. Analysis of the physico-chemical profile of butenolide analogues indicated that lipophilicity is a very important physico-chemical parameter contributing to bioactivity. © 2012 Copyright Taylor and Francis Group, LLC.

  11. Modification of the electronic band structure of the topological insulator Bi2Te3 by the adsorption of the organic molecule Manganese Phthalocyanine

    Science.gov (United States)

    Hewitt, Andrew; Boltersdorf, Jonathon; Maggard, Paul; Dougherty, Daniel

    Topological insulators (TIs) have a spin-textured surface state protected by time-reversal symmetry within a bulk insulating gap. Typical approaches to breaking time-reversal symmetry have been to introduce dilute magnetic impurities into a solid-solution synthesis. Organic molecules offer another route for magnetic-doping of TIs. It has been shown that a coupling may exist, along with a new hybrid-interface state, between the magnetic molecule Manganese Phthalocyanine (MnPc) and the TI Bi2Te3. We report the modification of the electronic band structure by the adsorption of MnPc molecules as measured by ultraviolet photoelectron spectroscopy. We show a new state emerging below the Fermi level at less than a monolayer coverage of MnPc molecules. We also observe an n-doping effect as charge is transferred from the molecule to the TI substrate in agreement with recent work. We suggest that this interface system may have important implications for understanding the role of local time reversal symmetry breaking in TI's and in controlling spin injection into these novel materials.

  12. An investigation of the structural requirements for ATP hydrolysis and DNA cleavage by the EcoKI Type I DNA restriction and modification enzyme.

    Science.gov (United States)

    Roberts, Gareth A; Cooper, Laurie P; White, John H; Su, Tsueu-Ju; Zipprich, Jakob T; Geary, Paul; Kennedy, Cowan; Dryden, David T F

    2011-09-01

    Type I DNA restriction/modification systems are oligomeric enzymes capable of switching between a methyltransferase function on hemimethylated host DNA and an endonuclease function on unmethylated foreign DNA. They have long been believed to not turnover as endonucleases with the enzyme becoming inactive after cleavage. Cleavage is preceded and followed by extensive ATP hydrolysis and DNA translocation. A role for dissociation of subunits to allow their reuse has been proposed for the EcoR124I enzyme. The EcoKI enzyme is a stable assembly in the absence of DNA, so recycling was thought impossible. Here, we demonstrate that EcoKI becomes unstable on long unmethylated DNA; reuse of the methyltransferase subunits is possible so that restriction proceeds until the restriction subunits have been depleted. We observed that RecBCD exonuclease halts restriction and does not assist recycling. We examined the DNA structure required to initiate ATP hydrolysis by EcoKI and find that a 21-bp duplex with single-stranded extensions of 12 bases on either side of the target sequence is sufficient to support hydrolysis. Lastly, we discuss whether turnover is an evolutionary requirement for restriction, show that the ATP hydrolysis is not deleterious to the host cell and discuss how foreign DNA occasionally becomes fully methylated by these systems.

  13. Parametric Study of Amorphous High-Entropy Alloys formation from two New Perspectives: Atomic Radius Modification and Crystalline Structure of Alloying Elements.

    Science.gov (United States)

    Hu, Q; Guo, S; Wang, J M; Yan, Y H; Chen, S S; Lu, D P; Liu, K M; Zou, J Z; Zeng, X R

    2017-01-04

    Chemical and topological parameters have been widely used for predicting the phase selection in high-entropy alloys (HEAs). Nevertheless, previous studies could be faulted due to the small number of available data points, the negligence of kinetic effects, and the insensitivity to small compositional changes. Here in this work, 92 TiZrHfM, TiZrHfMM, TiZrHfMMM (M = Fe, Cr, V, Nb, Al, Ag, Cu, Ni) HEAs were prepared by melt spinning, to build a reliable and sufficiently large material database to inspect the robustness of previously established parameters. Modification of atomic radii by considering the change of local electronic environment in alloys, was critically found out to be superior in distinguishing the formation of amorphous and crystalline alloys, when compared to using atomic radii of pure elements in topological parameters. Moreover, crystal structures of alloying element were found to play an important role in the amorphous phase formation, which was then attributed to how alloying hexagonal-close-packed elements and face-centered-cubic or body-centered-cubic elements can affect the mixing enthalpy. Findings from this work not only provide parametric studies for HEAs with new and important perspectives, but also reveal possibly a hidden connection among some important concepts in various fields.

  14. Effect of cerium on structure modifications of a hybrid sol–gel coating, its mechanical properties and anti-corrosion behavior

    Energy Technology Data Exchange (ETDEWEB)

    Cambon, Jean-Baptiste, E-mail: cambon@chimie.ups-tlse.fr [Institut Carnot CIRIMAT, Université de Toulouse, UMR CNRS 5085, 118 Route de Narbonne, 31062 Toulouse Cedex 9 (France); Esteban, Julien; Ansart, Florence; Bonino, Jean-Pierre; Turq, Viviane [Institut Carnot CIRIMAT, Université de Toulouse, UMR CNRS 5085, 118 Route de Narbonne, 31062 Toulouse Cedex 9 (France); Santagneli, S.H.; Santilli, C.V.; Pulcinelli, S.H. [Departamento Fısico-Química, Instituto de Química, Universidade Estadual Paulista, UNESP, CP 355, 14801-970 Araraquara, SP (Brazil)

    2012-11-15

    Highlights: ► New sol–gel routes to replace chromates for corrosion protection of aluminum. ► Effect of cerium concentration on the microstructure of xerogel. ► Electrochemical and mechanical performances of hybrid coating with different cerium contents. ► Good correlation between the different results with an optimal cerium content of 0.01 M. -- Abstract: An organic–inorganic hybrid coating was developed to improve the corrosion resistance of the aluminum alloy AA 2024-T3. Organic and inorganic coatings derived from glycidoxypropyl-trimethoxysilane (GPTMS) and aluminum tri-sec-butoxide Al(O{sup s}Bu){sub 3}, with different cerium contents, were deposited onto aluminum by dip-coating process. Corrosion resistance and mechanical properties were investigated by electrochemical impedance measurements and nano-indentation respectively. An optimal cerium concentration of 0.01 M was evidenced. To correlate and explain the hybrid coating performances in relation to the cerium content, NMR experiments were performed. It has been shown that when the cerium concentration in the hybrid is higher than 0.01 M there are important modifications in the hybrid structure that account for the mechanical properties and anti-corrosion behavior of the sol–gel coating.

  15. Studies on chemical structure modification and biology of a natural product, gambogic acid (I): Synthesis and biological evaluation of oxidized analogues of gambogic acid.

    Science.gov (United States)

    Wang, Jinxin; Zhao, Li; Hu, Yang; Guo, Qinglong; Zhang, Lei; Wang, Xiaojian; Li, Nianguang; You, Qidong

    2009-06-01

    Gambogic acid (GA), a natural product, exhibits high potency in inhibiting cancer cell growth through the effective induction of apoptosis. In order to investigate the structure-activity relationships of GA derivatives, 11 oxidized derivatives of GA were synthesized. Some of them showed strong inhibitory effects on HT-29, Bel-7402, BGC-823, A549, and SKOV 3 cell lines. Moreover, in this paper the cellular growth inhibitor 39-hydroxy-6-methoxy-gambogic acid methyl ester (10) was identified as a HepG2 cell apoptosis inhibitor through Annexin-V/PI double staining assay and the expression of the related apoptotic proteins (Bax and Bcl-2). Compound 10 may serve as a potential lead compound for the development of new anticancer drugs. Further SAR studies of GA derivatives indicated that modification of carbon-carbon double bond at C-32/33 or C-37/38 and of the methyl groups at C-39/C-35 can improve antitumor activity.

  16. Parametric Study of Amorphous High-Entropy Alloys formation from two New Perspectives: Atomic Radius Modification and Crystalline Structure of Alloying Elements

    Science.gov (United States)

    Hu, Q.; Guo, S.; Wang, J.M.; Yan, Y.H.; Chen, S.S.; Lu, D.P.; Liu, K.M.; Zou, J.Z.; Zeng, X.R.

    2017-01-01

    Chemical and topological parameters have been widely used for predicting the phase selection in high-entropy alloys (HEAs). Nevertheless, previous studies could be faulted due to the small number of available data points, the negligence of kinetic effects, and the insensitivity to small compositional changes. Here in this work, 92 TiZrHfM, TiZrHfMM, TiZrHfMMM (M = Fe, Cr, V, Nb, Al, Ag, Cu, Ni) HEAs were prepared by melt spinning, to build a reliable and sufficiently large material database to inspect the robustness of previously established parameters. Modification of atomic radii by considering the change of local electronic environment in alloys, was critically found out to be superior in distinguishing the formation of amorphous and crystalline alloys, when compared to using atomic radii of pure elements in topological parameters. Moreover, crystal structures of alloying element were found to play an important role in the amorphous phase formation, which was then attributed to how alloying hexagonal-close-packed elements and face-centered-cubic or body-centered-cubic elements can affect the mixing enthalpy. Findings from this work not only provide parametric studies for HEAs with new and important perspectives, but also reveal possibly a hidden connection among some important concepts in various fields. PMID:28051186

  17. Research progress of structural modification of oridonin%冬凌草甲素的结构修饰研究进展

    Institute of Scientific and Technical Information of China (English)

    刘洪川; 金永生; 陈海生

    2016-01-01

    Oridonin is an en-kaurene diterpenoids compound which was found to have effect on tumor in vitro.But the clinical application has been limited because of poor water solubility,low bioavailability and oral absorption.Many scholars conducted a large number of structure modification researches of oridonin to search for new diterpenes with higher bio-activities and better bio-availabilities,and to develop new antitumor drugs.In this paper,studies on this aspect of oridonin were re-viewed.%冬凌草甲素为贝壳杉烯型二萜类化合物,具有良好的体外抗肿瘤活性,虽然体外活性强,但由于水溶性差、生物利用度低、口服难以吸收等缺点,极大地限制了其临床应用.为了寻找具有更高活性和更好生物利用度的化合物,以开发新的抗肿瘤药物,综述研究者对冬凌草甲素进行的结构改造和修饰的进展.

  18. Green fluorescent protein (GFP color reporter gene visualizes parvovirus B19 non-structural segment 1 (NS1 transfected endothelial modification.

    Directory of Open Access Journals (Sweden)

    Thomas Wurster

    Full Text Available BACKGROUND: Human Parvovirus B19 (PVB19 has been associated with myocarditis putative due to endothelial infection. Whether PVB19 infects endothelial cells and causes a modification of endothelial function and inflammation and, thus, disturbance of microcirculation has not been elucidated and could not be visualized so far. METHODS AND FINDINGS: To examine the PVB19-induced endothelial modification, we used green fluorescent protein (GFP color reporter gene in the non-structural segment 1 (NS1 of PVB19. NS1-GFP-PVB19 or GFP plasmid as control were transfected in an endothelial-like cell line (ECV304. The endothelial surface expression of intercellular-adhesion molecule-1 (CD54/ICAM-1 and extracellular matrix metalloproteinase inducer (EMMPRIN/CD147 were evaluated by flow cytometry after NS-1-GFP or control-GFP transfection. To evaluate platelet adhesion on NS-1 transfected ECs, we performed a dynamic adhesion assay (flow chamber. NS-1 transfection causes endothelial activation and enhanced expression of ICAM-1 (CD54: mean ± standard deviation: NS1-GFP vs. control-GFP: 85.3 ± 11.2 vs. 61.6 ± 8.1; P<0.05 and induces endothelial expression of EMMPRIN/CD147 (CD147: mean ± SEM: NS1-GFP vs. control-GFP: 114 ± 15.3 vs. 80 ± 0.91; P<0.05 compared to control-GFP transfected cells. Dynamic adhesion assays showed that adhesion of platelets is significantly enhanced on NS1 transfected ECs when compared to control-GFP (P<0.05. The transfection of ECs was verified simultaneously through flow cytometry, immunofluorescence microscopy and polymerase chain reaction (PCR analysis. CONCLUSIONS: GFP color reporter gene shows transfection of ECs and may help to visualize NS1-PVB19 induced endothelial activation and platelet adhesion as well as an enhanced monocyte adhesion directly, providing in vitro evidence of possible microcirculatory dysfunction in PVB19-induced myocarditis and, thus, myocardial tissue damage.

  19. Systematic structure modifications of multitarget prostate cancer drug candidate galeterone to produce novel androgen receptor down-regulating agents as an approach to treatment of advanced prostate cancer.

    Science.gov (United States)

    Purushottamachar, Puranik; Godbole, Abhijit M; Gediya, Lalji K; Martin, Marlena S; Vasaitis, Tadas S; Kwegyir-Afful, Andrew K; Ramalingam, Senthilmurugan; Ates-Alagoz, Zeynep; Njar, Vincent C O

    2013-06-27

    As part of our program to explore the influence of small structural modifications of our drug candidate 3β-(hydroxy)-17-(1H-benzimidazol-1-yl)androsta-5,16-diene (galeterone, 5) on the modulation of the androgen receptor (AR), we have prepared and evaluated a series of novel C-3, C-16, and C-17 analogues. Using structure activity analysis, we established that the benzimidazole moiety at C-17 is essential and optimal and also that hydrophilic and heteroaromatic groups at C-3 enhance both antiproliferative (AP) and AR degrading (ARD) activities. The most potent antiproliferative compounds were 3β-(1H-imidazole-1-carboxylate)-17-(1H-benzimidazol-1-yl)androsta-5,16-diene (47), 3-((EZ)-hydroximino)-17-(1H-benzimidazol-1-yl)androsta-4,16-diene (36), and 3β-(pyridine-4-carboxylate)-17-(1H-benzimidazol-1-yl)androsta-5,16-diene (43), with GI50 values of 0.87, 1.91, and 2.57 μM, respectively. Compared to 5, compound 47 was 4- and 8-fold more potent with respect to AP and ARD activities, respectively. Importantly, we also discovered that our compounds, including 5, 36, 43, and 47, could degrade both full-length and truncated ARs in CWR22rv1 human prostate cancer cells. With these activities, they have potential for development as new drugs for the treatment of all forms of prostate cancer.

  20. Thermal annealing and SHI irradiation induced modifications in sandwiched structured Carbon-gold-Carbon (a-C/Au/a-C) nanocomposite thin film

    Science.gov (United States)

    Singh, S. K.; Singhal, R.

    2017-09-01

    In the present work, we study the annealing and swift heavy ion (SHI) beam induced modifications in the optical and structural properties of sandwiched structured Carbon-gold-Carbon (a-C/Au/a-C) nanocomposite (NCs) thin films. The NCs thin films were synthesized by electron-beam evaporation technique at room temperature with ∼30 nm thickness for both carbon layer and ∼6 nm for gold layer. Gold-carbon NCs thin films were annealed in the presence of argon at a temperature of 500 °C, 600 °C and 750 °C. The NCs thin films were also irradiated with 90 MeV Ni ions beam with different ion fluences in the range from 3 × 1012, 6 × 1012 and 1 × 1013 ions/cm2. Surface plasmon resonance (SPR) of Au nanoparticles are not observed in the pristine film but, after annealing at temperature of 600 °C and 750 °C, it was clearly seen at ∼534 nm as confirmed by UV-visible absorption spectroscopy. 90 MeV Ni irradiated thin film at the fluence of 1 × 1013 ions/cm2 also show strong absorption band at ∼534 nm. The growth and size of Au nanoparticle for pristine and 90 MeV Ni ion irradiated thin film with fluence of 1 × 1013 ions/cm2, were estimated by Transmission electron microscopy (TEM) images with the bi-model distribution. The size of the gold nanoparticle (NPs) was found to be ∼4.5 nm for the pristine film and ∼5.4 nm for the irradiated film at a fluence of 1 × 1013 ions/cm2. The thickness and metal atomic fraction in carbon matrix were estimated by Rutherford backscattering spectroscopy (RBS). The effect of annealing as well as heavy ion irradiation on D and G band of carbon matrix were studied by Raman spectroscopy.

  1. Fast Ion Induced Shearing of 2D Alfven Eigenmodes Measured by Electron Cyclotron Emission Imaging

    Energy Technology Data Exchange (ETDEWEB)

    Tobias, Ben [University of California, Davis; Classen, I.G.J. [FOM Institute for Plasma Physics Rijnhuizen, Nieuwegein, The Netherlands; Domier, C. W. [University of California, Davis; Heidbrink, W. [University of California, Irvine; Luhmann, N.C. [University of California, Davis; Nazikian, Raffi [Princeton Plasma Physics Laboratory (PPPL); Park, H.K. [Pohang University of Science and Technology (POSTECH), Pohang, Republic of Korea; Spong, Donald A [ORNL; Van Zeeland, Michael [General Atomics

    2011-01-01

    Two-dimensional images of electron temperature perturbations are obtained with electron cyclotron emission imaging (ECEI) on the DIII-D tokamak and compared to Alfven eigenmode structures obtained by numerical modeling using both ideal MHD and hybrid MHD-gyrofluid codes. While many features of the observations are found to be in excellent agreement with simulations using an ideal MHD code (NOVA), other characteristics distinctly reveal the influence of fast ions on the mode structures. These features are found to be well described by the nonperturbative hybrid MHD-gyrofluid model TAEFL.

  2. On the common solution within a framework of single matrix algorithm for radical suppression of background products in heavy-ion induced reaction

    CERN Document Server

    Tsyganov, Y S

    2015-01-01

    Application of real-time matrix algorithm in heavy ion induced complete fusion nuclear reactions of superheavy elements synthesis is reviewed in brief. An extended algorithm, for the case of the recoil detection efficiency is not close to 100% has been proposed.

  3. Correlation between ion induced defects and luminescence properties of K{sub 3}Na(SO{sub 4}){sub 2}: Eu nanophosphor

    Energy Technology Data Exchange (ETDEWEB)

    Choubey, A., E-mail: anjani_physics@yahoo.co [Department of Applied Physics, Indian School of Mines, Dhanbad 826004 (India); Sharma, S.K. [Department of Applied Physics, Indian School of Mines, Dhanbad 826004 (India); Lochab, S.P.; Kanjilal, D. [Inter University Accelerator Center, New Delhi 110 067 (India)

    2011-05-15

    The K{sub 3}Na(SO{sub 4}){sub 2}: Eu phosphor has been prepared by chemical co-precipitation method. X-ray diffraction studies show that K{sub 3}Na(SO{sub 4}){sub 2}: Eu phosphor exhibits hexagonal structure with average particle size of 42 nm. The samples were irradiated with 1.2 MeV Argon ions, with fluences varying between 10{sup 11} and 10{sup 15} ions/cm{sup 2}. Monte Carlo SRIM-2008 Simulation was used for evaluating ion range, ion energy loss and ion induced atomic displacements. Ions having a range of 2.09 {mu}m lose their energy mainly via electronic stopping, by creating large number of defects and activating different trap centers. This results in composite thermoluminescence (TL) glow curves. The growth of lower temperature peak at around 449 K which was linear in the whole studied dose range, might be attributed to the change in trap centers and luminescence centers populations. The observed variation in TL intensity of the higher temperature peak at 533 K is the resultant effect of both increases in density of ion beam tracks and high ionization density. A photoluminescence (PL) emission peak is seen around 415 nm when excited by 310 nm light, due to transition from an excited state of 4f{sup 6}5d configuration to {sup 8}S{sub 7/2} state of Eu{sup 2+} ion. The higher concentration of defects that generate nonradiative states within the band gap is responsible for decrease in PL intensity after irradiation. The composite TL glow peaks were first deconvoluted with GlowFit program and then kinetics parameters of isolated prominent peaks were calculated by the thermoluminescence peak shape and various heating rate methods.

  4. Fast Ion Induced Shearing of 2D Alfven Eigenmodes Measured by Electron Cyclotron Emission Imaging

    NARCIS (Netherlands)

    Tobias, B. J.; Classen, I.G.J.; Domier, C.W.; Heidbrink, W. W.; N C Luhmann Jr.,; Nazikian, R.; Park, H. K.; Spong, D. A.; VanZeeland, M. A.

    2011-01-01

    Two-dimensional images of electron temperature perturbations are obtained with electron cyclotron emission imaging (ECEI) on the DIII-D tokamak and compared to Alfven eigenmode structures obtained by numerical modeling using both ideal MHD and hybrid MHD-gyrofluid codes. While many features of the o

  5. Enhancement of osseointegration by direct coating of rhBMP-2 on target-ion induced plasma sputtering treated SLA surface for dental application.

    Science.gov (United States)

    Kim, Sungwon; Park, Cheonil; Moon, Byeong-Seok; Kim, Hyoun-Ee; Jang, Tae-Sik

    2016-11-23

    Owing to the excellent bioactive properties of recombinant human bone morphogenetic proteins (rhBMPs), dentistry considers them as a fascinating adjuvant alternative for enhancing bone regeneration and bone-to-implant junction in the early implantation stages. However, stable loading and delivery efficiency of rhBMPs on the implant surfaces involve major concerns because of the harsh wearing condition under load during implantation. In this study, to achieve successful rhBMP-2 delivery, a nanoporous surface structure is introduced on the sandblasting with large grit and acid-etching (SLA)-treated titanium (Ti) surface via the tantalum (Ta) target-ion induced plasma sputtering (TIPS) technique. Unlike oxidation-induced surface nanoporous fabrications on a Ti surface, TIPS-treated surfaces provide excellent structural unity of the nanoporous structure with the substrate due to their etching-based fabrication mechanism. SLA/TIPS-treated Ti exhibits distinct nanoporous structures on the microscale surface geometry and better hydrophilicity compared with SLA-treated Ti. A sufficiently empty nanoporous surface structure combined with the hydrophilic property of SLA/TIPS-treated Ti facilitates the formation of a thick and uniform coating layer of rhBMP-2 on the surface without any macro- and microcoagulation. Compared with the SLA-treated Ti surface, the amount of coated rhBMP-2 increases up to 63% on the SLA/TIPS-treated Ti surface. As a result, the in vitro pre-osteoblast cell response of the SLA/TIPS-treated Ti surface, especially cell adhesion and differentiation behaviors, improves remarkably. A bone-regenerating direct comparison between the rhBMP-2-coated SLA-treated and SLA/TIPS-treated Ti is conducted on a defective dog mandible model. After 8 weeks of implantation surgery, SLA/TIPS-treated Ti with rhBMP-2 exhibits a better degree of contact area for the implanted bone, which mineralizes new bones around the implant. Quantitative results of bone-in-contact ratio

  6. Alternate distortion modes and stability ranges in AII2BIVO 4 solid solutions possessing the K 2NiF 4 structure type: A new structural modification of the T phase

    Science.gov (United States)

    Chen, Bai-Hao; Eichhorn, Bryan W.

    1992-04-01

    Six solid solutions of formula ( A1- xA' x) 2( B1- xB' x)O 4 have been prepared where A and A' = Ba, Sr; B and B' = Ti, Sn, Pb in different combinations to investigate the distortion modes and stability ranges in the K 2NiF 4 (T) structure types. These series illustrate that distortions along the a-axis is dominated by the B site ion, whereas distortions along the c-axis are governed by the A site ion which contrasts the behavior of the RE 2CuO 4 phases possessing the T' structure type. The (Sr 1- xBa x) 2PbO 4 and Sr 2Sn 1- xPb xO 4 systems yielded T structure tolerance factors ( tlim) of 0.91 at x = 0.5, and 0.89 at x = 0.75, respectively, before a transformation to the Sr 2PbO 4 structure type. A new lower symmetry ( {P4}/{mmm}) modification of the T phase was found for Sr 2Sn 1- xPb xO 4 (0.5 NiF 4 phases with mixed B site atoms.

  7. 4D imaging and quantification of pore structure modifications inside natural building stones by means of high resolution X-ray CT

    Energy Technology Data Exchange (ETDEWEB)

    Dewanckele, J., E-mail: jan.dewanckele@ugent.be [Department of Geology and Soil Science - UGCT, Ghent University, Krijgslaan 281 S8, B-9000, Ghent (Belgium); De Kock, T.; Boone, M.A.; Cnudde, V. [Department of Geology and Soil Science - UGCT, Ghent University, Krijgslaan 281 S8, B-9000, Ghent (Belgium); Brabant, L.; Boone, M.N. [Department of Physics and Astronomy - UGCT, Ghent University, Proeftuinstraat 86, B-9000 Ghent (Belgium); Fronteau, G. [University of Reims Champagne-Ardenne (URCA), GEGENAA, EA3795, Reims (France); Van Hoorebeke, L. [Department of Physics and Astronomy - UGCT, Ghent University, Proeftuinstraat 86, B-9000 Ghent (Belgium); Jacobs, P. [Department of Geology and Soil Science - UGCT, Ghent University, Krijgslaan 281 S8, B-9000, Ghent (Belgium)

    2012-02-01

    Weathering processes have been studied in detail for many natural building stones. The most commonly used analytical techniques in these studies are thin-section petrography, SEM, XRD and XRF. Most of these techniques are valuable for chemical and mineralogical analysis of the weathering patterns. However, to obtain crucial quantitative information on structural evolutions like porosity changes and growth of weathering crusts in function of time, non-destructive techniques become necessary. In this study, a Belgian historical calcareous sandstone, the Lede stone, was exposed to gaseous SO{sub 2} under wet surface conditions according to the European Standard NBN EN 13919 (2003). Before, during and after the strong acid test, high resolution X-ray tomography has been performed to visualize gypsum crust formation to yield a better insight into the effects of gaseous SO{sub 2} on the pore modification in 3D. The tomographic scans were taken at the Centre for X-ray Tomography at Ghent University (UGCT). With the aid of image analysis, partial porosity changes were calculated in different stadia of the process. Increasing porosity has been observed visually and quantitatively below the new superficial formed layer of gypsum crystals. In some cases micro-cracks and dissolution zones were detected on the grain boundaries of quartz. By using Morpho+, an in-house developed image analysis program, radial porosity, partial porosity, ratio of open and closed porosity and equivalent diameter of individual pore structures have been calculated. The results obtained in this study are promising for a better understanding of gypsum weathering mechanisms, porosity changes and patterns on natural building stones in four dimensions. - Highlights: Black-Right-Pointing-Pointer We examine structural 3D differences inside building stones as a function of time. Black-Right-Pointing-Pointer Gypsum crust formation is quantified with X-ray CT in combination with image analysis. Black

  8. Heavy ion-induced chromosomal aberrations analyzed by fluorescence in situ hybridization

    Energy Technology Data Exchange (ETDEWEB)

    Durante, M.; Gialanella, G.; Grossi, G.; Pugliese, M. [Univ. ``Federico II``, Naples (Italy). Dept. of Physics]|[INFN, Naples (Italy); Cella, L.; Greco, O. [Univ. ``Federico II``, Naples (Italy). Dept. of Physics; Furusawa, Y. [NIRS, Chiba (Japan); George, K.; Yang, T.C. [NASA Lyndon B. Johnson Space Center, Houston, TX (United States)

    1997-09-01

    We have investigated the effectiveness of heavy ions in the induction of chromosomal aberrations in mammalian cells by the recent technique of fluorescence in situ hybridization (FISH) with whole-chromosome probes. FISH-painting was used both in metaphase and interphase (prematurely condensed) chromosomes. The purpose of our experiments was to address the following problems: (a) the ratio of different types of aberrations as a function of radiation quality (search for biomarkers); (b) the ratio between aberrations scored in interphase and metaphase as a function of radiation quality (role of apoptosis); (c) differences between cytogenetic effects produced by different ions at the same LET (role of track structure). (orig./MG)

  9. Swift heavy ion induced nano-dimensional phase separation in liquid immiscible binary Mn-Bi

    Science.gov (United States)

    Srivastava, S. K.; Khan, S. A.; Sudheer Babu, P.; Avasthi, D. K.

    2014-08-01

    Pulsed laser deposited 60 nm thin film of homogeneous Mn0.82Bi0.18 composite has been irradiated by 100 MeV Au ions at fluence 1 × 1013 ions/cm2, and investigated by field emission scanning electron microscopy, X-ray diffraction, magnetic hysteresis, X-ray photoelectron spectroscopy, and nanoindentation measurements. Dispersed nanostructures of soft Bi-rich phase of about 20 nm diameter emerged in a hard Mn-rich matrix on irradiation. Such structures, as synthesized by the present novel swift heavy ion irradiation approach, are usable as self-lubricating thin films.

  10. Single ion induced surface nanostructures: a comparison between slow highly charged and swift heavy ions.

    Science.gov (United States)

    Aumayr, Friedrich; Facsko, Stefan; El-Said, Ayman S; Trautmann, Christina; Schleberger, Marika

    2011-10-05

    This topical review focuses on recent advances in the understanding of the formation of surface nanostructures, an intriguing phenomenon in ion-surface interaction due to the impact of individual ions. In many solid targets, swift heavy ions produce narrow cylindrical tracks accompanied by the formation of a surface nanostructure. More recently, a similar nanometric surface effect has been revealed for the impact of individual, very slow but highly charged ions. While swift ions transfer their large kinetic energy to the target via ionization and electronic excitation processes (electronic stopping), slow highly charged ions produce surface structures due to potential energy deposited at the top surface layers. Despite the differences in primary excitation, the similarity between the nanostructures is striking and strongly points to a common mechanism related to the energy transfer from the electronic to the lattice system of the target. A comparison of surface structures induced by swift heavy ions and slow highly charged ions provides a valuable insight to better understand the formation mechanisms.

  11. Antioxidant and ion-induced gelation functions of pectins enabled by polyphenol conjugation.

    Science.gov (United States)

    Ahn, Soohwan; Halake, Kantappa; Lee, Jonghwi

    2017-08-01

    The development of antioxidant polymers through the chemical conjugation of natural polyphenols onto polysaccharides has important applications in biomedical, pharmaceutical, food, and cosmetic fields. Due to their labile characteristics, the covalent conjugation of polyphenols while retaining antioxidant properties has been a challenging task. Herein, four structurally different polyphenols, three with and one without a catechol group, were conjugated onto pectin macromolecules via a simple and efficient preparation method involving epichlorohydrin chemistry. The conjugation reactions were confirmed by FT-IR and UV-vis characterization, and the free radical scavenging assay confirmed that the polyphenols maintained their antioxidant activity after the reaction. The conventional structure-antioxidant property relationship can be applied to the assay results, and hesperidin without a catechol group showed the lowest antioxidant capability. The coordination of multivalent metal ions with polyphenols enabled ionic crosslinking and the moduli of hydrogels depend on the type of polyphenols and their molecular interactions with metal ions. The simplicity of preparation and the resulting unique properties could make the pectin conjugates useful in a wide range of application areas. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. 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.

  13. Multi-shell model of ion-induced nucleic acid condensation

    Energy Technology Data Exchange (ETDEWEB)

    Tolokh, Igor S. [Department of Computer Science, Virginia Tech, Blacksburg, Virginia 24061, USA; Drozdetski, Aleksander V. [Department of Physics, Virginia Tech, Blacksburg, Virginia 24061, USA; Pollack, Lois [School of Applied and Engineering Physics, Cornell University, Ithaca, New York 14853-3501, USA; Baker, Nathan A. [Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99352, USA; Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912, USA; Onufriev, Alexey V. [Department of Computer Science, Virginia Tech, Blacksburg, Virginia 24061, USA; Department of Physics, Virginia Tech, Blacksburg, Virginia 24061, USA

    2016-04-21

    We present a semi-quantitative model of condensation of short nucleic acid (NA) duplexes in- duced by tri-valent cobalt hexammine (CoHex) ions. The model is based on partitioning of bound counterion distribution around single NA duplex into “external” and “internal” ion binding shells distinguished by the proximity to duplex helical axis. The duplex aggregation free energy is de- composed into attraction and repulsion components represented by simple analytic expressions. The source of the short-range attraction between NA duplexes in the aggregated phase is the in- teraction of CoHex ions in the overlapping regions of the “external” shells with the oppositely charged duplexes. The attraction depends on CoHex binding affinity to the “external” shell of nearly neutralized duplex and the number of ions in the shell overlapping volume. For a given NA duplex sequence and structure, these parameters are estimated from molecular dynamics simula- tion. The attraction is opposed by the residual repulsion of nearly neutralized duplexes as well as duplex configurational entropy loss upon aggregation. The estimates of the aggregation free energy are consistent with the experimental range of NA duplex condensation propensities, including the unusually poor condensation of RNA structures and subtle sequence effects upon DNA conden- sation. The model predicts that, in contrast to DNA, RNA duplexes may condense into tighter packed aggregates with a higher degree of duplex neutralization. The model also predicts that longer NA fragments will condense easier than shorter ones. The ability of this model to explain experimentally observed trends in NA condensation, lends support to proposed NA condensation picture based on the multivalent “ion binding shells”.

  14. Xenon-ion-induced and thermal mixing of Co/Si bilayers and their interplay

    Energy Technology Data Exchange (ETDEWEB)

    Novakovic, M. [VINCA Institute of Nuclear Sciences, 11001 Belgrade (Serbia); II. Physikalisches Institut, Georg-August-Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany); Zhang, K. [II. Physikalisches Institut, Georg-August-Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany); Popovic, M.; Bibic, N. [VINCA Institute of Nuclear Sciences, 11001 Belgrade (Serbia); II. Physikalisches Institut, Georg-August-Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany); Hofsaess, H. [II. Physikalisches Institut, Georg-August-Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany); Lieb, K.P., E-mail: plieb@gwdg.d [II. Physikalisches Institut, Georg-August-Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany)

    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{sup +} ions at fluences of up to 3 x 10{sup 16} cm{sup -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 {sup 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, {Delta}{sigma}{sup 2}/{Phi} = 3.0(4) nm{sup 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 {sup o}C as in the non-irradiated Co/Si bilayers: the phase evolution follows the sequence Co{sub 2}Si {yields} CoSi {yields} CoSi{sub 2}.

  15. The effect of structural disorder on the secondary electron emission of graphite

    Science.gov (United States)

    Gonzalez, L. A.; Larciprete, R.; Cimino, R.

    2016-09-01

    The dependance of the secondary electron yield (SEY) on the degree of crystallinity of graphite has been investigated during the amorphization of a highly oriented pyrolytic graphite (HOPG) samples by means of Ar+ bombardment. Photoemission and Raman spectroscopies were used to follow the structural damage while the SEY curves were measured from very low energies up to 1000 eV. We found that the increase of lattice defects lowers the contribution of the π electrons in the valence band and loss spectra and smears out the intense modulations in the low energy secondary electron yield (LE-SEY) curve. Raman spectroscopy results showed that ion induced lattice amorphization is confined in a near-surface layer. The evolution of SEY curves was observed with the progressive Ar+ dosage after crystal damage as due to the modification of the electronic transport properties within the damaged near surface layer.

  16. The effect of structural disorder on the secondary electron emission of graphite

    Directory of Open Access Journals (Sweden)

    L. A. Gonzalez

    2016-09-01

    Full Text Available The dependance of the secondary electron yield (SEY on the degree of crystallinity of graphite has been investigated during the amorphization of a highly oriented pyrolytic graphite (HOPG samples by means of Ar+ bombardment. Photoemission and Raman spectroscopies were used to follow the structural damage while the SEY curves were measured from very low energies up to 1000 eV. We found that the increase of lattice defects lowers the contribution of the π electrons in the valence band and loss spectra and smears out the intense modulations in the low energy secondary electron yield (LE-SEY curve. Raman spectroscopy results showed that ion induced lattice amorphization is confined in a near-surface layer. The evolution of SEY curves was observed with the progressive Ar+ dosage after crystal damage as due to the modification of the electronic transport properties within the damaged near surface layer.

  17. Structure de l'amidon de maïs et principaux phénomènes impliqués dans sa modification thermique

    Directory of Open Access Journals (Sweden)

    Malumba, P.

    2011-01-01

    Full Text Available Structures and phenomena occurring during the heat treatment of cornstarch. The structure of cornstarch and the modifications induced during the heat treatments are presented in this review. Current knowledge indicate that the starch granules are semi-crystalline entities composed mainly by amylose and amylopectin, undergoing deep reorganizations during the heat treatments. Gelatinization, glass transitions, relaxation phenomena, retrogradation and the formation of amylose-lipids complexes are the major phenomena involved in these reorganisations, and are the basis of changes of the techno-functional properties of cornstarch-based products during their heat treatment. La rhizosphère est le volume du sol situé au voisinage immédiat des racines des plantes et qui se caractérise par la présence d'exsudats racinaires (rhizodépôts. Ces exsudats sont utilisés par la microflore endémique en tant que signaux chimiques en plus d'être un substrat nutritif disponible pour la croissance et le développement de ces microorganismes dans la rhizosphère. Certaines de ces bactéries du sol, appelées PGPRs (Plant Growth Promoting Rhizobacteria, sont capables de coloniser les racines ou bien encore la rhizosphère, mais à la différence des autres bactéries rhizosphériques elles ont, en retour, un effet bénéfique sur la plante. Cet effet bénéfique peut être direct, ou indirect. La promotion directe de la croissance est le résultat du pouvoir d'acquisition des nutriments ou de la stimulation des hormones de la plante. D'autres mécanismes indirects, mais le plus souvent liés à la croissance des plantes, sont impliqués dans la réduction/suppression des pathogènes des plantes. Cet article décrit les différents mécanismes mis en jeu par les PGPRs dans leur environnement naturel pour influencer favorablement la croissance et la santé des plantes.

  18. Single step purification of recombinant proteins using the metal ion-inducible autocleavage (MIIA) domain as linker for tag removal.

    Science.gov (United States)

    Ibe, Susan; Schirrmeister, Jana; Zehner, Susanne

    2015-08-20

    For fast and easy purification, proteins are typically fused with an affinity tag, which often needs to be removed after purification. Here, we present a method for the removal of the affinity tag from the target protein in a single step protocol. The protein VIC_001052 of the coral pathogen Vibrio coralliilyticus ATCC BAA-450 contains a metal ion-inducible autocatalytic cleavage (MIIA) domain. Its coding sequence was inserted into an expression vector for the production of recombinant fusion proteins. Following, the target proteins MalE and mCherry were produced as MIIA-Strep fusion proteins in Escherichia coli. The target proteins could be separated from the MIIA-Strep part simply by the addition of calcium or manganese(II) ions within minutes. The cleavage is not affected in the pH range from 5.0 to 9.0 or at low temperatures (6°C). Autocleavage was also observed with immobilized protein on an affinity column. The protein yield was similar to that achieved with a conventional purification protocol.

  19. White/blue-emitting, water-dispersible CdSe quantum dots prepared by counter ion-induced polymer collapse

    Science.gov (United States)

    Wang, Jing; Goh, Jane Betty; Goh, M. Cynthia; Giri, Neeraj Kumar; Paige, Matthew F.

    2015-09-01

    The synthesis and characterization of water-dispersible, luminescent CdSe/ZnS semiconductor quantum dots that exhibit nominal "white" fluorescence emission and have potential applications in solid-state lighting is described. The nanomaterials, prepared through counter ion-induced collapse and UV cross-linking of high-molecular weight polyacrylic acid in the presence of appropriate aqueous inorganic ions, were of ∼2-3 nm diameter and could be prepared in gram quantities. The quantum dots exhibited strong luminescence emission in two bands, the first in the blue-region (band edge) of the optical spectrum and the second, a broad emission in the red-region (attributed to deep trap states) of the optical spectrum. Because of the relative strength of emission of the band edge and deep trap state luminescence, it was possible to achieve visible white luminescence from the quantum dots in aqueous solution and in dried, solid films. The optical spectroscopic properties of the nanomaterials, including ensemble and single-molecule spectroscopy, was performed, with results compared to other white-emitting quantum dot systems described previously in the literature.

  20. Possible Immune Regulation of Natural Killer T Cells in a Murine Model of Metal Ion-Induced Allergic Contact Dermatitis.

    Science.gov (United States)

    Kumagai, Kenichi; Horikawa, Tatsuya; Shigematsu, Hiroaki; Matsubara, Ryota; Kitaura, Kazutaka; Eguchi, Takanori; Kobayashi, Hiroshi; Nakasone, Yasunari; Sato, Koichiro; Yamada, Hiroyuki; Suzuki, Satsuki; Hamada, Yoshiki; Suzuki, Ryuji

    2016-01-12

    Metal often causes delayed-type hypersensitivity reactions, which are possibly mediated by accumulating T cells in the inflamed skin, called irritant or allergic contact dermatitis. However, accumulating T cells during development of a metal allergy are poorly characterized because a suitable animal model is unavailable. We have previously established novel murine models of metal allergy and found accumulation of both metal-specific T cells and natural killer (NK) T cells in the inflamed skin. In our novel models of metal allergy, skin hypersensitivity responses were induced through repeated sensitizations by administration of metal chloride and lipopolysaccharide into the mouse groin followed by metal chloride challenge in the footpad. These models enabled us to investigate the precise mechanisms of the immune responses of metal allergy in the inflamed skin. In this review, we summarize the immune responses in several murine models of metal allergy and describe which antigen-specific responses occur in the inflamed skin during allergic contact dermatitis in terms of the T cell receptor. In addition, we consider the immune regulation of accumulated NK T cells in metal ion-induced allergic contact dermatitis.

  1. Heavy-ion-induced sucrose radicals investigated using EPR and UV spectroscopy.

    Science.gov (United States)

    Nakagawa, Kouichi; Karakirova, Yordanka; Yordanov, Nicola D

    2015-05-01

    The potential use of a sucrose dosimeter for estimating both linear energy transfer (LET) and the absorbed dose of heavy ion and X-ray radiation was investigated. The stable free radicals were produced when sucrose was irradiated with heavy ions, such as helium, carbon, silicon and neon ions, and when the X-ray radiation was similar to the obtained electron paramagnetic resonance (EPR) spectra, which were ∼7 mT wide and composed of several hyperfine structures. In addition, the total spin concentration resulting from heavy-ion irradiation increased linearly as the absorbed dose increased, and decreased logarithmically as the LET increased. These empirical relations imply that the LET at a certain dose can be determined from the spin concentration. For sucrose and alanine, both cross-sections following C-ion irradiation with a 50 Gy dose were ∼1.3 × 10(-12) [μm(2)], taking into account the molecular size of the samples. The values of these cross-sections imply that multiple ionizing particles were involved in the production of stable radicals. Furthermore, UV absorbance at 267 nm of an aqueous solution of irradiated sucrose was found to linearly increase with increasing absorbed dose. Therefore, the EPR and UV results suggest that sucrose can be a useful dosimeter for heavy-ion irradiation.

  2. The influence of projectile ion induced chemistry on surface pattern formation

    Science.gov (United States)

    Karmakar, Prasanta; Satpati, Biswarup

    2016-07-01

    We report the critical role of projectile induced chemical inhomogeneity on surface nanostructure formation. Experimental inconsistency is common for low energy ion beam induced nanostructure formation in the presence of uncontrolled and complex contamination. To explore the precise role of contamination on such structure formation during low energy ion bombardment, a simple and clean experimental study is performed by selecting mono-element semiconductors as the target and chemically inert or reactive ion beams as the projectile as well as the source of controlled contamination. It is shown by Atomic Force Microscopy, Cross-sectional Transmission Electron Microscopy, and Electron Energy Loss Spectroscopy measurements that bombardment of nitrogen-like reactive ions on Silicon and Germanium surfaces forms a chemical compound at impact zones. Continuous bombardment of the same ions generates surface instability due to unequal sputtering and non-uniform re-arrangement of the elemental atom and compound. This instability leads to ripple formation during ion bombardment. For Argon-like chemically inert ion bombardment, the chemical inhomogeneity induced boost is absent; as a result, no ripples are observed in the same ion energy and fluence.

  3. Ion induced magnetization reorientation in Co/Pt multilayers for patterned media

    Energy Technology Data Exchange (ETDEWEB)

    Weller, D.; Baglin, J.E.E.; Kellock, A.J.; Hannibal, K.A.; Toney, M.F.; Kusinski, G.; Lang, S.; Best, M.E.; Terris, B.D.

    2000-01-01

    Co/Pt multilayer films with perpendicular magnetic anisotropy and large out-of-plane coercivities of 3.9 - 8.5 kOe have been found to undergo a spin reorientation transition from out-of-plane to in-plane upon irradiation with 700 keV nitrogen ions. X-ray reflectivity experiments show that the multilayer structure gets progressively disrupted with increasing ion dose, providing direct evidence for local atomic displacements at the Co/Pt interfaces. This effectively destroys the magnetic interface anisotropy, which was varied by about a factor of two, between KS@ 0.4 erg/cm2 and KS@ 0.85 erg/cm2 for two particular films. The dose required to initiate spin-reorientation, 6x1014 N+/cm2 and 1.5x1015 N+/cm2, respectively, scales with KS. It is roughly equal to the number of Co interface atoms per unit interface area contributing to KS.

  4. Supramolecular coordination chemistry in aqueous solution: lanthanide ion-induced triple helix formation.

    Science.gov (United States)

    Lessmann, J J; Horrocks, W D

    2000-07-24

    The self-assembly of dinuclear triple helical lanthanide ion complexes (helicates), in aqueous solution, is investigated utilizing laser-induced, lanthanide luminescence spectroscopy. A series of dinuclear lanthanide (III) helicates (Ln(III)) based on 2,6-pyridinedicarboxylic acid (dipicolinic acid, dpa) coordinating units was synthesized by linking two dpa moieties using the organic diamines (1R,2R)-diaminocyclohexane (chxn-R,R) and 4,4'-diaminodiphenylmethane (dpm). Luminescence excitation spectroscopy of the Eu3+ 7F0-->5D0 transition shows the apparent cooperative formation of neutral triple helical complexes in aqueous solution, with a [Eu2L3] stoichiometry. Eu3+ excitation peak wavelengths and excited-state lifetimes correspond to those of the [Eu(dpa)3]3- model complex. CD studies of the Nd(III) helicate Nd2(dpa-chxn-R,R)3 reveal optical activity of the f-f transitions, indicating that the chiral linking group induces a stable chirality at the metal ion center. Molecular mechanics calculations using CHARMm suggest that the delta delta configuration at the Nd3+ ion centers is induced by the chxn-R,R linker. Stability constants were determined for both ligands with Eu3+, yielding identical results: log K = 31.6 +/- 0.2 (K in units of M-4). Metal-metal distances calculated from Eu3+-->Nd3+ energy-transfer experiments show that the complexes have metal-metal distances close to those calculated by molecular modeling. The fine structure in the Tb3+ emission bands is consistent with the approximate D3 symmetry as anticipated for helicates.

  5. Multi-shell model of ion-induced nucleic acid condensation

    Science.gov (United States)

    Tolokh, Igor S.; Drozdetski, Aleksander V.; Pollack, Lois; Baker, Nathan A.; Onufriev, Alexey V.

    2016-04-01

    We present a semi-quantitative model of condensation of short nucleic acid (NA) duplexes induced by trivalent cobalt(iii) hexammine (CoHex) ions. The model is based on partitioning of bound counterion distribution around single NA duplex into "external" and "internal" ion binding shells distinguished by the proximity to duplex helical axis. In the aggregated phase the shells overlap, which leads to signi