WorldWideScience

Sample records for interlevel transfer mechanisms

  1. L1 Transfer in Post-Verbal Preposition: An Inter-level Comparison

    Directory of Open Access Journals (Sweden)

    Samira Mollaei

    2013-10-01

    Full Text Available The study intended to investigate the well-known issue of L1 transfer in L2acquisition. The primary aim of this research was to compare the extent to which L1 transfer may take place in different developmental stages in L2 learning procedure. Persian learners of English have been observed to misuse a number of the prepositions with some of the verbs. Having scrutinized more than a hundred pieces of students’ writing assignments, the authors came up with a pattern of errors in this area. It was observed that the majority of these errors could be attributed to Persian: the learners’ choice of preposition mirror the corresponding case in their L1, Persian. Moreover, the pattern of mistakes was put to test to check whether these mistakes increase or decrease according to the level of proficiency of the learners. To this end, two groups of students, one in elementary and the other in intermediate level, were tested on their use of proper prepositions with different verbs and the results of these tests were compared to see whether any significant difference exists between the two groups of students. The results showed no significant difference between the students of the two proficiency levels.

  2. Inter-level relations in computer science, biology, and psychology

    NARCIS (Netherlands)

    Boogerd, Fred; Bruggeman, Frank; Jonker, Catholijn; Looren de Jong, Huib; Tamminga, Allard; Treur, Jan; Westerhoff, Hans; Wijngaards, Wouter

    2002-01-01

    Investigations into inter-level relations in computer science, biology and psychology call for an *empirical* turn in the philosophy of mind. Rather than concentrate on *a priori* discussions of inter-level relations between “completed” sciences, a case is made for the actual study of the way inter-

  3. Miniature mechanical transfer optical coupler

    Science.gov (United States)

    Abel, Philip; Watterson, Carl

    2011-02-15

    A miniature mechanical transfer (MT) optical coupler ("MMTOC") for optically connecting a first plurality of optical fibers with at least one other plurality of optical fibers. The MMTOC may comprise a beam splitting element, a plurality of collimating lenses, and a plurality of alignment elements. The MMTOC may optically couple a first plurality of fibers disposed in a plurality of ferrules of a first MT connector with a second plurality of fibers disposed in a plurality of ferrules of a second MT connector and a third plurality of fibers disposed in a plurality of ferrules of a third MT connector. The beam splitting element may allow a portion of each beam of light from the first plurality of fibers to pass through to the second plurality of fibers and simultaneously reflect another portion of each beam of light from the first plurality of fibers to the third plurality of fibers.

  4. Investigating Knowledge Transfer Mechanisms for Oil Rigs

    DEFF Research Database (Denmark)

    Vianello, Giovanna; Ahmed, Saeema

    2009-01-01

    It is widely recognized, both in industry and academia, that clear strategies in knowledge transfer positively influence the success of a firm. A firm should support the transfer of knowledge by standardizing communication channels within and across departments, based upon personalization......, codification or a combination of these two strategies. The characteristics of the business influence the choice of communication channels used for knowledge transfer. This paper presents a case study exploring the transfer of knowledge within and across projects, specifically the transfer of service knowledge...... in the case of complex machinery. The strategies used for knowledge transfer were analysed and compared with the expected transfer mechanisms, similarities and differences were investigated and are described. A family of four identical rigs for offshore drilling was the selected case. The transfer...

  5. Transfer Area Mechanical Handling Calculation

    Energy Technology Data Exchange (ETDEWEB)

    B. Dianda

    2004-06-23

    This calculation is intended to support the License Application (LA) submittal of December 2004, in accordance with the directive given by DOE correspondence received on the 27th of January 2004 entitled: ''Authorization for Bechtel SAX Company L.L. C. to Include a Bare Fuel Handling Facility and Increased Aging Capacity in the License Application, Contract Number DE-AC28-01R W12101'' (Arthur, W.J., I11 2004). This correspondence was appended by further Correspondence received on the 19th of February 2004 entitled: ''Technical Direction to Bechtel SAIC Company L.L. C. for Surface Facility Improvements, Contract Number DE-AC28-OIRW12101; TDL No. 04-024'' (BSC 2004a). These documents give the authorization for a Fuel Handling Facility to be included in the baseline. The purpose of this calculation is to establish preliminary bounding equipment envelopes and weights for the Fuel Handling Facility (FHF) transfer areas equipment. This calculation provides preliminary information only to support development of facility layouts and preliminary load calculations. The limitations of this preliminary calculation lie within the assumptions of section 5 , as this calculation is part of an evolutionary design process. It is intended that this calculation is superseded as the design advances to reflect information necessary to support License Application. The design choices outlined within this calculation represent a demonstration of feasibility and may or may not be included in the completed design. This calculation provides preliminary weight, dimensional envelope, and equipment position in building for the purposes of defining interface variables. This calculation identifies and sizes major equipment and assemblies that dictate overall equipment dimensions and facility interfaces. Sizing of components is based on the selection of commercially available products, where applicable. This is not a specific recommendation for the future use

  6. Load Transfer Mechanisms in Anchored Geosynthetic Systems

    Science.gov (United States)

    1990-12-20

    TITLE (Include Security Classitcation) (U) Load Transfer Mechanisms in Anchored Geosynthetic Systems 12. PERSONAL AUTHOR(S) Hrvciw, Roman D. 13a... Geosynthetics 19. ABSTRACT (Continue on reverse it necessary and identity by block number) The success of an anchored geosynthetic system (AGS) depends on...the satisfactory transfer of load between the surface-deployed geosynthetic and anchors (typically ribbed reinforcing rods) driven into the slope

  7. Transfer mechanism of temoporfin between liposomal membranes.

    Science.gov (United States)

    Hefesha, Hossam; Loew, Stephan; Liu, Xiangli; May, Sylvio; Fahr, Alfred

    2011-03-30

    The transfer kinetics of temoporfin, a classic photosensitizer, was analyzed by investigating the influence of total lipid content, temperature, as well as charge, acyl chain length, and saturation of the lipids in donor vesicles using a mini ion exchange column technique. The obtained results are consistent with an apparent first order kinetics in which the transfer proceeds through both liposome collisions and through the aqueous phase. We present a corresponding theoretical model that accounts for the detailed distribution of drug molecules in donor and acceptor liposomes and predicts the transfer rates as a function of drug concentration and number of donor and acceptor liposomes. The experimentally observed transfer rates depended strongly on the temperature and comply with the Arrhenius equation. Thermodynamic calculations indicate the transfer process to be entropically controlled. In terms of the charge of donor liposomes, positively charged liposomes showed transfer rates faster than negatively charged liposomes whereas the maximum amount transferred was almost the same. A more rigid structure of the donor liposomes increases the transfer rate of temoporfin, which is caused by expelling the drug from the membrane interior, as proposed in former work. In summary, our combined theoretical/experimental approach offers a systematic way to study the mechanism of drug release from liposome-based delivery systems.

  8. Heat Transfer Mechanisms and Clustering in Nanofluids

    Directory of Open Access Journals (Sweden)

    Kaufui V. Wong

    2010-01-01

    Full Text Available This paper surveys heat transfer in nanofluids. It summarizes and analyzes the theories regarding heat transfer mechanisms in nanofluids, and it discusses the effects of clustering on thermal conductivity. The heat transfer associated with conduction is presented through various experiments followed by a discussion of the theories developed. Relationships between thermal conductivity and various factors such as temperature, concentration, and particle size are also displayed along with a discussion on clustering. There is a brief discussion on convection where the number of studies is limited. There is research currently being performed on the manipulation of the properties governing the thermal conductivity of nanofluids—the particle size, shape, and surface area. Other factors that affect heat transfer are the material of the nanoparticle, particle volume concentration, and the fluid used. Although the interest in this relatively new class of fluids has generated many experimental studies, there is still disagreement over several aspects of heat transfer in nanofluids, primarily concerning the mechanisms behind the increased thermal conductivity. Although nanoparticles have greatly decreased the risks, there is still evidence of unwanted agglomeration which causes erosion and affect the overall conductivity. Research is currently being conducted to determine how to minimize this unwanted clustering.

  9. Heat transfer mechanisms in microgravity flow boiling.

    Science.gov (United States)

    Ohta, Haruhiko

    2002-10-01

    The objective of this paper is to clarify the mechanisms of heat transfer and dryout phenomena in flow boiling under microgravity conditions. Liquid-vapor behavior in annular flow, encountered in the moderate quality region, has extreme significance for practical application in space. To clarify the gravity effect on the heat transfer observed for an upward flow in a tube, the research described here started from the measurement of pressure drop for binary gas-liquid mixture under various gravity conditions. The shear stress acting on the surface of the annular liquid film was correlated by an empirical method. Gravity effects on the heat transfer due to two-phase forced convection were investigated by the analysis of velocity and temperature profiles in the film. The results reproduce well the trends of heat transfer coefficients varying with the gravity level, quality, and mass velocity. Dryout phenomena in the moderate quality region were observed in detail by the introduction of a transparent heated tube. At heat fluxes just lower and higher than CHF value, a transition of the heat transfer coefficient was calculated from oscillating wall temperature, where a series of opposing heat transfer trends--the enhancement due to the quenching of dried areas or evaporation from thin liquid films and the deterioration due to the extension of dry patches--were observed between the passage of disturbance waves. The CHF condition that resulted from the insufficient decrease of wall temperature in the period of enhanced heat transfer was overcome by a temperature increase in the deterioration period. No clear effect of gravity on the mechanisms of dryout was observed within the range of experiments.

  10. Transfer of Learning in Quantum Mechanics

    CERN Document Server

    Singh, Chandralekha

    2016-01-01

    We investigate the difficulties that undergraduate students in quantum mechanics courses have in transferring learning from previous courses or within the same course from one context to another by administering written tests and conducting individual interviews. Quantum mechanics is abstract and its paradigm is very different from the classical one. A good grasp of the principles of quantum mechanics requires creating and organizing a knowledge structure consistent with the quantum postulates. Previously learned concepts such as the principle of superposition and probability can be useful in quantum mechanics if students are given opportunity to build associations between new and prior knowledge. We also discuss the need for better alignment between quantum mechanics and modern physics courses taken previously because semi-classical models can impede internalization of the quantum paradigm in more advanced courses.

  11. Transfer orbit stage mechanisms thermal vacuum test

    Science.gov (United States)

    Oleary, Scott T.

    1990-01-01

    A systems level mechanisms test was conducted on the Orbital Sciences Corp.'s Transfer Orbit Stage (TOS). The TOS is a unique partially reusable transfer vehicle which will boost a satellite into its operational orbit from the Space Shuttle's cargo bay. The mechanical cradle and tilt assemblies will return to earth with the Space Shuttle while the Solid Rocket Motor (SRM) and avionics package are expended. A mechanisms test was performed on the forward cradle and aft tilting assemblies of the TOS under thermal vacuum conditions. Actuating these assemblies under a 1 g environment and thermal vacuum conditions proved to be a complex task. Pneumatic test fixturing was used to lift the forward cradle, and tilt the SRM, and avionics package. Clinometers, linear voltage displacement transducers, and load cells were used in the thermal vacuum chamber to measure the performance and characteristics of the TOS mechanism assembly. Incorporation of the instrumentation and pneumatic system into the test setup was not routine since pneumatic actuation of flight hardware had not been previously performed in the facility. The methods used are presented along with the problems experienced during the design, setup and test phases.

  12. Independent backup mode transfer and mechanism for digital control computers

    Science.gov (United States)

    Tulpule, Bhalchandra R. (Inventor); Oscarson, Edward M. (Inventor)

    1992-01-01

    An interrupt is provided to a signal processor having a non-maskable interrupt input, in response to the detection of a request for transfer to backup software. The signal processor provides a transfer signal to a transfer mechanism only after completion of the present machine cycle. Transfer to the backup software is initiated by the transfer mechanism only upon reception of the transfer signal.

  13. Mechanisms of lymphatic regeneration after tissue transfer.

    Directory of Open Access Journals (Sweden)

    Alan Yan

    Full Text Available INTRODUCTION: Lymphedema is the chronic swelling of an extremity that occurs commonly after lymph node resection for cancer treatment. Recent studies have demonstrated that transfer of healthy tissues can be used as a means of bypassing damaged lymphatics and ameliorating lymphedema. The purpose of these studies was to investigate the mechanisms that regulate lymphatic regeneration after tissue transfer. METHODS: Nude mice (recipients underwent 2-mm tail skin excisions that were either left open or repaired with full-thickness skin grafts harvested from donor transgenic mice that expressed green fluorescent protein in all tissues or from LYVE-1 knockout mice. Lymphatic regeneration, expression of VEGF-C, macrophage infiltration, and potential for skin grafting to bypass damaged lymphatics were assessed. RESULTS: Skin grafts healed rapidly and restored lymphatic flow. Lymphatic regeneration occurred beginning at the peripheral edges of the graft, primarily from ingrowth of new lymphatic vessels originating from the recipient mouse. In addition, donor lymphatic vessels appeared to spontaneously re-anastomose with recipient vessels. Patterns of VEGF-C expression and macrophage infiltration were temporally and spatially associated with lymphatic regeneration. When compared to mice treated with excision only, there was a 4-fold decrease in tail volumes, 2.5-fold increase in lymphatic transport by lymphoscintigraphy, 40% decrease in dermal thickness, and 54% decrease in scar index in skin-grafted animals, indicating that tissue transfer could bypass damaged lymphatics and promote rapid lymphatic regeneration. CONCLUSIONS: Our studies suggest that lymphatic regeneration after tissue transfer occurs by ingrowth of lymphatic vessels and spontaneous re-connection of existing lymphatics. This process is temporally and spatially associated with VEGF-C expression and macrophage infiltration. Finally, tissue transfer can be used to bypass damaged lymphatics

  14. Mechanisms of Learning Transfer in Adventure Education: Qualitative Results from the NOLS Transfer Survey

    Science.gov (United States)

    Sibthorp, Jim; Furman, Nate; Paisley, Karen; Gookin, John; Schumann, Scott

    2011-01-01

    Transfer of learning from adventure programs remains of critical interest to adventure education professionals. Although some research has investigated what transfers, notably less has focused on mechanisms that might influence transfer. This paper explores the mechanisms of transfer reported by a stratified random sample of National Outdoor…

  15. Inter-level Scaffolding and Sequences of Representational Activities in Teaching a Chemical System with Graphical Simulations

    Science.gov (United States)

    Li, Na; Black, John B.

    2016-10-01

    Chemistry knowledge can be represented at macro-, micro- and symbolic levels, and learning a chemistry topic requires students to engage in multiple representational activities. This study focused on scaffolding for inter-level connection-making in learning chemistry knowledge with graphical simulations. We also tested whether different sequences of representational activities produced different student learning outcomes in learning a chemistry topic. A sample of 129 seventh graders participated in this study. In a simulation-based environment, participants completed three representational activities to learn several ideal gas law concepts. We conducted a 2 × 3 factorial design experiment. We compared two scaffolding conditions: (1) the inter- level scaffolding condition in which participants received inter-level questions and experienced the dynamic link function in the simulation-based environment and (2) the intra- level scaffolding condition in which participants received intra-level questions and did not experience the dynamic link function. We also compared three different sequences of representational activities: macro-symbolic-micro, micro-symbolic-macro and symbolic-micro-macro. For the scaffolding variable, we found that the inter- level scaffolding condition produced significantly better performance in both knowledge comprehension and application, compared to the intra- level scaffolding condition. For the sequence variable, we found that the macro-symbolic-micro sequence produced significantly better knowledge comprehension performance than the other two sequences; however, it did not benefit knowledge application performance. There was a trend that the treatment group who experienced inter- level scaffolding and the micro-symbolic-macro sequence achieved the best knowledge application performance.

  16. Mass transfer mechanism in hydrophilic interaction chromatography.

    Science.gov (United States)

    Gritti, Fabrice; Guiochon, Georges

    2013-08-09

    The mass transfer mechanism in HILIC was investigated in depth. The reduced heights equivalent to a theoretical plate (HETP) of five low molecular weigh compounds with retention factors of -0.05 (slight exclusion from the surface due to the presence of a water-rich layer in which naphthalene is insoluble) to 3.64 were measured at room temperature for a 4.6mm×100mm column packed with 3.5μm 140Å XBridge HILIC particles in a wide range of flow velocities. The mobile phase was a buffered acetonitrile-water mixture (92.5/7.5, v/v). Using a physically reliable model of effective diffusion in binary composite media (Torquato's model), the longitudinal diffusion and solid-liquid mass transfer resistance reduced HETP terms were measured. The reduced short-range eddy dispersion HETP was taken from the literature data. The long-range reduced HETP was directly measured from the subtraction of these HETP terms to the overall HETP measured from moment analysis. In contrast to RPLC, the plots of the reduced HETP versus the reduced velocity depend weakly on the retention factor, due to the constant, low intra-particle diffusivity observed in HILIC. So, the reduced longitudinal diffusion HETP is smaller and the reduced solid-liquid mass transfer resistance HETP is larger in HILIC than in RPLC. Whereas border effects can be concealed in RPLC for retained analytes due to fast radial equilibration across the column diameter, a residual long-range eddy dispersion term persists in 4.6mm I.D. HILIC columns, even at very slow flow rates. Experiments show that the minor differences in the long-range eddy dispersion term between analytes having different retention factors is directly correlated to the reciprocal of their bulk diffusion coefficient. The performance of HILIC columns packed with fine particles is then more sensitive to the inlet sample distribution and to the outlet sample collection than RPLC columns due to the relatively poor radial mixing controlled by lateral diffusion

  17. Investigating Knowledge Transfer Mechanisms for Oil Rigs

    DEFF Research Database (Denmark)

    Vianello, Giovanna; Ahmed, Saeema

    2009-01-01

    of lessons learnt from one rig to the next, and the actual situation emerged. Various approaches for transferring knowledge were elicited and analysed with regard to the types of knowledge that were transferred and the context in which they were used. This study indicates factors that should be considered......It is widely recognized, both in industry and academia, that clear strategies in knowledge transfer positively influence the success of a firm. A firm should support the transfer of knowledge by standardizing communication channels within and across departments, based upon personalization......, codification or a combination of these two strategies. The characteristics of the business influence the choice of communication channels used for knowledge transfer. This paper presents a case study exploring the transfer of knowledge within and across projects, specifically the transfer of service knowledge...

  18. Carbon monoxide transfer in pig lungs during mechanical ventilation

    NARCIS (Netherlands)

    F.C.A.M. te Nijenhuis (Frances)

    1996-01-01

    textabstractThis thesis comprises studies of gas transfer in the lungs during mechanical ventilation, which have been obtained in healthy pigs. The objectives of this thesis were: I) to adapt the breath-holding teclmique, as used during spontaneous breathing for estimation of gas transfer, to condit

  19. The Mechanism of Interfacial Mass Transfer in Gas Absorption Process

    Institute of Scientific and Technical Information of China (English)

    马友光; 冯惠生; 徐世昌; 余国琮

    2003-01-01

    Based on the method of molecular thermodynamics ,the mass transfer mechanism at gas-liquid interface is studied theoretically,and a nowe mathematical model is proposed,Using laser holographic interference technique,the hydrodynamics and mass transfer characteristics of CO2 absorption are measured,It is shown that the calculated results are in good agreement with the experimental data.

  20. Revealing the complex conduction heat transfer mechanism of nanofluids.

    Science.gov (United States)

    Sergis, A; Hardalupas, Y

    2015-12-01

    Nanofluids are two-phase mixtures consisting of small percentages of nanoparticles (sub 1-10 %vol) inside a carrier fluid. The typical size of nanoparticles is less than 100 nm. These fluids have been exhibiting experimentally a significant increase of thermal performance compared to the corresponding carrier fluids, which cannot be explained using the classical thermodynamic theory. This study deciphers the thermal heat transfer mechanism for the conductive heat transfer mode via a molecular dynamics simulation code. The current findings are the first of their kind and conflict with the proposed theories for heat transfer propagation through micron-sized slurries and pure matter. The authors provide evidence of a complex new type of heat transfer mechanism, which explains the observed abnormal heat transfer augmentation. The new mechanism appears to unite a number of popular speculations for the thermal heat transfer mechanism employed by nanofluids as predicted by the majority of the researchers of the field into a single one. The constituents of the increased diffusivity of the nanoparticle can be attributed to mismatching of the local temperature profiles between parts of the surface of the solid and the fluid resulting in increased local thermophoretic effects. These effects affect the region surrounding the solid manifesting interfacial layer phenomena (Kapitza resistance). In this region, the activity of the fluid and the interactions between the fluid and the nanoparticle are elevated. Isotropic increased nanoparticle mobility is manifested as enhanced Brownian motion and diffusion effects.

  1. Mechanism of Metal Transfer in DE-GMAW

    Institute of Scientific and Technical Information of China (English)

    Kehai Li; Chuansong Wu

    2009-01-01

    Modification of conventional gas metal arc welding (GMAW) process is of great potential to achieve high productivity with low cost and strong usability.Double-Electrode GMAW (DE-GMAW) is such a modified arc welding process which is formed by adding a bypass torch (gas tungsten arc welding torch) to a conventional GMAW system.The mechanism of metal transfer in DE-GMAW was proposed and verified in this paper.Experiments show that the critical current is decreased so that spray transfer can be obtained at a lower current level in DE-GMAW.Analysis of this significant change in metal transfer phenomena is conducted, and explanation is given out.It is found that the bypass arc in DE-GMAW lifts the anode point on the droplets such that the electromagnetic force becomes larger and squeezes the droplets so that spray transfer can take place under welding current lower than that in conventional GMAW.

  2. An activation-collision mechanism for cholesterol transfer between membranes.

    Science.gov (United States)

    Steck, T L; Kezdy, F J; Lange, Y

    1988-09-15

    We report the results of experiments which show that cholesterol transfer between membranes cannot proceed by aqueous diffusion, as widely held, but must involve a more complex mechanism. (a) The rate of transfer of [3H]cholesterol from red blood cells was found to vary inversely with the size of the acceptor particle (ghosts, vesicles of ghosts, liposomes, and plasma lipoproteins). (b) The transfer of [3H]cholesterol from red blood cells to ghosts was accelerated by the presence of plasma, even though the plasma competed with the ghosts as an acceptor. (c) The rate of transfer of [3H]cholesterol from red blood cells to ghosts decreased to zero with increasing dilution but was not simply second-order. (d) The cholesterol in retinal rod disc membranes is not at equilibrium with plasma lipoproteins in that disc cholesterol increased when the homogenates were incubated in vitro with plasma. (e) The kinetics of cholesterol transfer cannot be limited by unstirred layer effects since the transfer of lysolecithin in the same system was faster than that of cholesterol by 3 orders of magnitude. The simplest model compatible with all the data suggests a two-step pathway involving a first-order followed by a second-order process. The first step could be a unimolecular activation event, perhaps the movement of the sterol in the donor particle to a more exposed (hydrated) position. In the second step, the activated sterol would be transferred during transient collisions between donor and acceptor particles. When collision is not rate-limiting, the overall process would appear to be simply first-order, hence kinetically indistinguishable from the aqueous diffusion mechanism. The activation-collision model thus not only rationalizes our data but is also consistent with the simpler kinetics previously reported for the transfer of both membrane phospholipids and sterols.

  3. Florida commercial space initiatives and technology transfer mechanisms

    Science.gov (United States)

    Moore, Roger L.

    1989-01-01

    This paper discusses commercial space policy for the State of Florida in the context of state initiatives for general technology and economic development. The paper also compares Florida's commercial space initiatives to national space policies and describes mechanisms for transferring space related technologies and research to Florida businesses for subsequent development and commercialization.

  4. Heat transfer mechanisms in bubbly Rayleigh-Bénard convection

    NARCIS (Netherlands)

    Oresta, Paolo; Verzicco, Roberto; Lohse, Detlef; Presperetti, Andrea

    2009-01-01

    The heat transfer mechanism in Rayleigh-Bénard convection in a liquid with a mean temperature close to its boiling point is studied through numerical simulations with pointlike vapor bubbles, which are allowed to grow or shrink through evaporation and condensation and which act back on the flow both

  5. Students' Misconceptions about Heat Transfer Mechanisms and Elementary Kinetic Theory

    Science.gov (United States)

    Pathare, S. R.; Pradhan, H. C.

    2010-01-01

    Heat and thermodynamics is a conceptually rich area of undergraduate physics. In the Indian context in particular there has been little work done in this area from the point of view of misconceptions. This prompted us to undertake a study in this area. We present a study of students' misconceptions about heat transfer mechanisms, i.e. conduction,…

  6. Modeling biofilms with dual extracellular electron transfer mechanisms

    Science.gov (United States)

    Renslow, Ryan; Babauta, Jerome; Kuprat, Andrew; Schenk, Jim; Ivory, Cornelius; Fredrickson, Jim; Beyenal, Haluk

    2013-01-01

    Electrochemically active biofilms have a unique form of respiration in which they utilize solid external materials as terminal electron acceptors for their metabolism. Currently, two primary mechanisms have been identified for long-range extracellular electron transfer (EET): a diffusion- and a conduction-based mechanism. Evidence in the literature suggests that some biofilms, particularly Shewanella oneidensis, produce the requisite components for both mechanisms. In this study, a generic model is presented that incorporates the diffusion- and the conduction-based mechanisms and allows electrochemically active biofilms to utilize both simultaneously. The model was applied to S. oneidensis and Geobacter sulfurreducens biofilms using experimentally generated data found in the literature. Our simulation results show that 1) biofilms having both mechanisms available, especially if they can interact, may have a metabolic advantage over biofilms that can use only a single mechanism; 2) the thickness of G. sulfurreducens biofilms is likely not limited by conductivity; 3) accurate intrabiofilm diffusion coefficient values are critical for current generation predictions; and 4) the local biofilm potential and redox potential are two distinct parameters and cannot be assumed to have identical values. Finally, we determined that simulated cyclic and squarewave voltammetry based on our model are currently not capable of determining the specific percentages of extracellular electron transfer mechanisms in a biofilm. The developed model will be a critical tool for designing experiments to explain EET mechanisms. PMID:24113651

  7. Molecular insights into RBR E3 ligase ubiquitin transfer mechanisms.

    Science.gov (United States)

    Dove, Katja K; Stieglitz, Benjamin; Duncan, Emily D; Rittinger, Katrin; Klevit, Rachel E

    2016-08-01

    RING-in-between-RING (RBR) ubiquitin (Ub) ligases are a distinct class of E3s, defined by a RING1 domain that binds E2 Ub-conjugating enzyme and a RING2 domain that contains an active site cysteine similar to HECT-type E3s. Proposed to function as RING/HECT hybrids, details regarding the Ub transfer mechanism used by RBRs have yet to be defined. When paired with RING-type E3s, E2s perform the final step of Ub ligation to a substrate. In contrast, when paired with RBR E3s, E2s must transfer Ub onto the E3 to generate a E3~Ub intermediate. We show that RBRs utilize two strategies to ensure transfer of Ub from the E2 onto the E3 active site. First, RING1 domains of HHARI and RNF144 promote open E2~Ubs. Second, we identify a Ub-binding site on HHARI RING2 important for its recruitment to RING1-bound E2~Ub. Mutations that ablate Ub binding to HHARI RING2 also decrease RBR ligase activity, consistent with RING2 recruitment being a critical step for the RBR Ub transfer mechanism. Finally, we demonstrate that the mechanism defined here is utilized by a variety of RBRs.

  8. Extracellular electron transfer mechanisms between microorganisms and minerals

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Liang; Dong, Hailiang; Reguera, Gemma; Beyenal, Haluk; Lu, Anhuai; Liu, Juan; Yu, Han-Qing; Fredrickson, James K.

    2016-08-30

    Electrons can be transferred from microorganisms to multivalent metal ions that are associated with minerals and vice versa. As the microbial cell envelope is neither physically permeable to minerals nor electrically conductive, microorganisms have evolved strategies to exchange electrons with extracellular minerals. In this Review, we discuss the molecular mechanisms that underlie the ability of microorganisms to exchange electrons, such as c-type cytochromes and microbial nanowires, with extracellular minerals and with microorganisms of the same or different species. Microorganisms that have extracellular electron transfer capability can be used for biotechnological applications, including bioremediation, biomining and the production of biofuels and nanomaterials.

  9. Knowledge transfer from facilities management to building projects: A typology of transfer mechanisms

    DEFF Research Database (Denmark)

    Jensen, Per Anker

    2012-01-01

    The purpose of this article is to present a typology of mechanisms for knowledge transfer from Facilities Management (FM) to building projects. One of the problems in the building industry is a limited degree of learning. The development of professional FM can be the missing link to bridge the ga...

  10. Vibrationally Assisted Electron Transfer Mechanism of Olfaction: Myth or Reality?

    DEFF Research Database (Denmark)

    Solov'yov, Ilia; Chang, Po-Yao; Schulten, Klaus

    2012-01-01

    to this suggestion an olfactory receptor is activated by electron transfer assisted through odorant vibrational excitation. The hundreds to thousands of different olfactory receptors in an animal recognize odorants over a discriminant landscape with surface properties and vibrational frequencies as the two major......, thereby, recent experiments performed on Drosophila melanogaster. Our demonstration is based on known physical properties of biological electron transfer and on ab initio calculations on odorants carried out for the purpose of the present study. We identify a range of physical characteristics which...... olfactory receptors and odorants must obey for the vibrationally assisted electron transfer mechanism to function. We argue that the stated characteristics are feasible for realistic olfactory receptors, noting, though, that the receptor structure presently is still unknown, but can be studied through...

  11. Excitation transfer through open quantum networks: a few basic mechanisms

    CERN Document Server

    Venuti, Lorenzo Campos

    2011-01-01

    A variety of open quantum networks are currently under intense examination to model energy transport in photosynthetic systems. Here we study the coherent transfer of a quantum excitation over a network incoherently coupled with a structured and small environment that effectively models the photosynthetic reaction center. Our goal is to distill a few basic, possibly universal, mechanisms or "effects" that are featured in simple energy-transfer models. In particular, we identify three different phenomena: the congestion effect, the asymptotic unitarity and the staircase effects. We begin with few-site models, in which these effects can be fully understood, and then proceed to study more complex networks similar to those employed to model energy transfer in light-harvesting complexes. Our numerical studies on such networks seem to suggest that some of the effects observed in simple networks may be of relevance for biological systems, or artificial analogues of them as well.

  12. Transferring Data from Smartwatch to Smartphone through Mechanical Wave Propagation.

    Science.gov (United States)

    Kim, Seung-Chan; Lim, Soo-Chul

    2015-08-28

    Inspired by the mechanisms of bone conduction transmission, we present a novel sensor and actuation system that enables a smartwatch to securely communicate with a peripheral touch device, such as a smartphone. Our system regards hand structures as a mechanical waveguide that transmits particular signals through mechanical waves. As a signal, we used high-frequency vibrations (18.0-20.0 kHz) so that users cannot sense the signals either tactually or audibly. To this end, we adopted a commercial surface transducer, which is originally developed as a bone-conduction actuator, for mechanical signal generation. At the receiver side, a piezoelement was adopted for picking up the transferred mechanical signals. Experimental results have shown that the proposed system can successfully transfer data using mechanical waves. We also validate dual-frequency actuations under which high-frequency signals (18.0-20.0 kHz) are generated along with low-frequency (up to 250 Hz) haptic vibrations. The proposed method has advantages in terms of security in that it does not reveal the signals outside the body, meaning that it is not possible for attackers to eavesdrop on the signals. To further illustrate the possible application spaces, we conclude with explorations of the proposed approach.

  13. Transferring Data from Smartwatch to Smartphone through Mechanical Wave Propagation

    Directory of Open Access Journals (Sweden)

    Seung-Chan Kim

    2015-08-01

    Full Text Available Inspired by the mechanisms of bone conduction transmission, we present a novel sensor and actuation system that enables a smartwatch to securely communicate with a peripheral touch device, such as a smartphone. Our system regards hand structures as a mechanical waveguide that transmits particular signals through mechanical waves. As a signal, we used high-frequency vibrations (18.0–20.0 kHz so that users cannot sense the signals either tactually or audibly. To this end, we adopted a commercial surface transducer, which is originally developed as a bone-conduction actuator, for mechanical signal generation. At the receiver side, a piezoelement was adopted for picking up the transferred mechanical signals. Experimental results have shown that the proposed system can successfully transfer data using mechanical waves. We also validate dual-frequency actuations under which high-frequency signals (18.0–20.0 kHz are generated along with low-frequency (up to 250 Hz haptic vibrations. The proposed method has advantages in terms of security in that it does not reveal the signals outside the body, meaning that it is not possible for attackers to eavesdrop on the signals. To further illustrate the possible application spaces, we conclude with explorations of the proposed approach.

  14. Quantum Mechanical Hysteresis and the Electron Transfer Problem

    CERN Document Server

    Etchegoin, P G

    2004-01-01

    We study a simple quantum mechanical symmetric donor-acceptor model for electron transfer (ET) with coupling to internal deformations. The model contains several basic properties found in biological ET in enzymes and photosynthetic centers; it produces tunnelling with hysteresis thus providing a simple explanation for the slowness of the reversed rate and the near 100% efficiency of ET in many biological systems. The model also provides a conceptual framework for the development of molecular electronics memory elements based on electrostatic architectures.

  15. Mechanisms for control of biological electron transfer reactions.

    Science.gov (United States)

    Williamson, Heather R; Dow, Brian A; Davidson, Victor L

    2014-12-01

    Electron transfer (ET) through and between proteins is a fundamental biological process. The rates and mechanisms of these ET reactions are controlled by the proteins in which the redox centers that donate and accept electrons reside. The protein influences the magnitudes of the ET parameters, the electronic coupling and reorganization energy that are associated with the ET reaction. The protein can regulate the rates of the ET reaction by requiring reaction steps to optimize the system for ET, leading to kinetic mechanisms of gated or coupled ET. Amino acid residues in the segment of the protein through which long range ET occurs can also modulate the ET rate by serving as staging points for hopping mechanisms of ET. Specific examples are presented to illustrate these mechanisms by which proteins control rates of ET reactions. Copyright © 2014 Elsevier Inc. All rights reserved.

  16. Heat transfer mechanisms in poplar wood undergoing torrefaction

    Science.gov (United States)

    Sule, Idris O.; Mahmud, Shohel; Dutta, Animesh; Tasnim, Syeda Humaira

    2016-03-01

    Torrefaction, a thermal treatment process of biomass, has been proved to improve biomass combustible properties. Torrefaction is defined as a thermochemical process in reduced oxygen condition and at temperature range from 200 to 300 °C for shorter residence time whereby energy yield is maximized, can be a bridging technology that can lead the conventional system (e.g. coal-fired plants) towards a sustainable energy system. In efforts to develop a commercial operable torrefaction reactor, the present study examines the minimum input condition at which biomass is torrefied and explores the heat transfer mechanisms during torrefaction in poplar wood samples. The heat transfer through the wood sample is numerically modeled and analyzed. Each poplar wood is torrefied at temperature of 250, 270, and 300 °C. The experimental study shows that the 270 °C-treatment can be deduced as the optimal input condition for torrefaction of poplar wood. A good understanding of heat transfer mechanisms can facilitate the upscaling and downscaling of torrefaction process equipment to fit the feedstock input criteria and can help to develop treatment input specifications that can maximize process efficiency.

  17. Mass transfer mechanism in chiral reversed phase liquid chromatography.

    Science.gov (United States)

    Gritti, Fabrice; Guiochon, Georges

    2014-03-01

    The mechanism of mass transfer in chiral chromatography was investigated using an experimental protocol already applied in RPLC and HILIC chromatography. The different contributions to the reduced height equivalent to a theoretical plate (HETP) include the longitudinal diffusion HETP term, the solid-liquid mass transfer resistance HETP term, the short-range eddy dispersion HETP term, and the long-range eddy dispersion HETP term. Their accurate measurement permits the determination of the adsorption rate constant kads of trans-stilbene enantiomers on a column packed with Lux 5 μm Cellulose-1 particles. The experimental results demonstrate that the number of adsorption-desorption steps per unit time of chiral compounds on polysaccharide-based chiral stationary phases is four orders of magnitude smaller than that of achiral compounds.

  18. STUDIES ON STRESS TRANSFERENCE MECHANISM OF STEEL FIBRE REINFORCED CONCRETE

    Institute of Scientific and Technical Information of China (English)

    杨佑发; 许绍乾; 钟正华

    2001-01-01

    The stress transfer mechanism of steel fibre reinforced concrete is studied. The solutions for the stress and displacement were regarded as the superposition of "the elementary solutions" and "the improved solutions". The elementary solutions were found by using two-dimensional elastic theory and the improved solutions were found by using the Love displacement function method. The calculated results indicate that the solutions possess good convergence. By comparing the three-dimensional solutions with the shear-lag solutions, evident difference may be found.

  19. Hardwiring microbes via direct interspecies electron transfer: mechanisms and applications.

    Science.gov (United States)

    Cheng, Qiwen; Call, Douglas F

    2016-08-10

    Multicellular microbial communities are important catalysts in engineered systems designed to treat wastewater, remediate contaminated sediments, and produce energy from biomass. Understanding the interspecies interactions within them is therefore essential to design effective processes. The flow of electrons within these communities is especially important in the determination of reaction possibilities (thermodynamics) and rates (kinetics). Conventional models of electron transfer incorporate the diffusion of metabolites generated by one organism and consumed by a second, frequently referred to as mediated interspecies electron transfer (MIET). Evidence has emerged in the last decade that another method, called direct interspecies electron transfer (DIET), may occur between organisms or in conjunction with electrically conductive materials. Recent research has suggested that DIET can be stimulated in engineered systems to improve desired treatment goals and energy recovery in systems such as anaerobic digesters and microbial electrochemical technologies. In this review, we summarize the latest understanding of DIET mechanisms, the associated microorganisms, and the underlying thermodynamics. We also critically examine approaches to stimulate DIET in engineered systems and assess their effectiveness. We find that in most cases attempts to promote DIET in mixed culture systems do not yield the improvements expected based on defined culture studies. Uncertainties of other processes that may be co-occurring in real systems, such as contaminant sorption and biofilm promotion, need to be further investigated. We conclude by identifying areas of future research related to DIET and its application in biological treatment processes.

  20. Transfer of mechanical energy during the shot put.

    Science.gov (United States)

    Błażkiewicz, Michalina; Łysoń, Barbara; Chmielewski, Adam; Wit, Andrzej

    2016-09-01

    The aim of this study was to analyse transfer of mechanical energy between body segments during the glide shot put. A group of eight elite throwers from the Polish National Team was analysed in the study. Motion analysis of each throw was recorded using an optoelectronic Vicon system composed of nine infrared camcorders and Kistler force plates. The power and energy were computed for the phase of final acceleration of the glide shot put. The data were normalized with respect to time using the algorithm of the fifth order spline and their values were interpolated with respect to the percentage of total time, assuming that the time of the final weight acceleration movement was different for each putter. Statistically significant transfer was found in the study group between the following segments: Right Knee - Right Hip (p = 0.0035), Left Hip - Torso (p = 0.0201), Torso - Right Shoulder (p = 0.0122) and Right Elbow - Right Wrist (p = 0.0001). Furthermore, the results of cluster analysis showed that the kinetic chain used during the final shot acceleration movement had two different models. Differences between the groups were revealed mainly in the energy generated by the hips and trunk.

  1. Transfer of mechanical energy during the shot put

    Directory of Open Access Journals (Sweden)

    Błażkiewicz Michalina

    2016-09-01

    Full Text Available The aim of this study was to analyse transfer of mechanical energy between body segments during the glide shot put. A group of eight elite throwers from the Polish National Team was analysed in the study. Motion analysis of each throw was recorded using an optoelectronic Vicon system composed of nine infrared camcorders and Kistler force plates. The power and energy were computed for the phase of final acceleration of the glide shot put. The data were normalized with respect to time using the algorithm of the fifth order spline and their values were interpolated with respect to the percentage of total time, assuming that the time of the final weight acceleration movement was different for each putter. Statistically significant transfer was found in the study group between the following segments: Right Knee – Right Hip (p = 0.0035, Left Hip - Torso (p = 0.0201, Torso – Right Shoulder (p = 0.0122 and Right Elbow – Right Wrist (p = 0.0001. Furthermore, the results of cluster analysis showed that the kinetic chain used during the final shot acceleration movement had two different models. Differences between the groups were revealed mainly in the energy generated by the hips and trunk.

  2. Mechanically Controlled Electron Transfer in a Single-Polypeptide Transistor

    Science.gov (United States)

    Sheu, Sheh-Yi; Yang, Dah-Yen

    2017-01-01

    Proteins are of interest in nano-bio electronic devices due to their versatile structures, exquisite functionality and specificity. However, quantum transport measurements produce conflicting results due to technical limitations whereby it is difficult to precisely determine molecular orientation, the nature of the moieties, the presence of the surroundings and the temperature; in such circumstances a better understanding of the protein electron transfer (ET) pathway and the mechanism remains a considerable challenge. Here, we report an approach to mechanically drive polypeptide flip-flop motion to achieve a logic gate with ON and OFF states during protein ET. We have calculated the transmission spectra of the peptide-based molecular junctions and observed the hallmarks of electrical current and conductance. The results indicate that peptide ET follows an NC asymmetric process and depends on the amino acid chirality and α-helical handedness. Electron transmission decreases as the number of water molecules increases, and the ET efficiency and its pathway depend on the type of water-bridged H-bonds. Our results provide a rational mechanism for peptide ET and new perspectives on polypeptides as potential candidates in logic nano devices.

  3. MD 382: Beam Transfer Function and diffusion mechanisms

    CERN Document Server

    Tambasco, Claudia; Buffat, Xavier; Crouch, Matthew; Pieloni, Tatiana; Boccardi, Andrea; Fuchsberger, Kajetan; Gasior, Marek; Kotzian, Gerd; Lefevre, Thibaut; Pojer, Mirko; Salvachua Ferrando, Belen Maria; Solfaroli Camillocci, Matteo; Giachino, Rossano; CERN. Geneva. ATS Department

    2016-01-01

    The Beam Transfer Function (BTF) measurements have been previously tested in the LHC during MD block 1 and 2. Different machine configurations (i.e. energy, beam intensity, emittance etc...) have been tested to determine a safe set-up (excitation amplitude) of the system to be completely transparent to the beam (no emittance blow-up neither losses). The aim of this experiment in MD block 3 was to characterize the Stability Diagram (SD) in the presence of diffusion mechanisms induced by excited resonances due to beam-beam long range and Landau octupole interplay. During the experiment, BTF measurements have been acquired at flat top for different settings of Landau octupole current, different chromaticity values and transverse feedback gains. In this note the description of the experiment is presented together with some preliminary results.

  4. ELECTRON TRANSFER MECHANISM AT THE SOLID-LIQUID INTERFACE OF PHYLLOSILICATES

    Science.gov (United States)

    Interfacial electron transfer processes on clay minerals have significant impact in natural environments and geochemical systems. Nitrobenzene was used as molecular probes to study the electron transfer mechanism at the solid-water interfaces of Fe-containing phyllosicates. For...

  5. Energy transfer properties and mechanisms. Technical progress report

    Energy Technology Data Exchange (ETDEWEB)

    Barker, J.R.

    1995-02-03

    Collisional energy transfer is the controlling factor in many nonequilibrium chemical systems: combustion, laser-induced chemical reactions, shock-heated gases, atmospheric chemistry, etc. During this period, efforts were made in 3 areas: large molecule energy transfer experiments (organic compounds); triatomic V-T/R energy transfer (memory effects); and energy transfer in extreme environments (shock tube data on norbornene). Results are described very briefly.

  6. [Mechanism of heat transfer in various regions of human body].

    Science.gov (United States)

    Luchakov, Iu I; Nozdrachev, A D

    2009-01-01

    The processes of heat transfer in a human body were studied with the use of a mathematical model. It has been shown that only conductive or only convective heat transfer may occur in different body areas. The rate of blood-mediated heat transfer in the presence of blood circulation is many times higher than heat transfer due to temperature gradient; therefore, the convective process prevails over the conductive process. The body core contains a variety of blood vessels, and the bulk of blood concentrates there in the norm. Hence, heat transfer in it is mainly convective. In surface tissues, where the rate of blood circulation is lower and the vasculature has certain specific features, heat transfer is mainly conductive. Hence, the core and surface tissues are absolutely different body zones in terms of heat transfer.

  7. Project on Transfer Mechanism of Radioactive Source Term Under Severe Accident

    Institute of Scientific and Technical Information of China (English)

    SUN; Xue-ting; JI; Song-tao; CHEN; Lin-lin

    2012-01-01

    <正>The "Transfer mechanism of radioactive source term under severe accident" is a sub-project of the research program of "Mechanism and phenomenology of severe accident". An aerosol transfer mechanism experimental facility is built to simulate the passive containment cooling system (PCCS) of advanced pressurizer reactors to research effects to the transfer process of fission products under severe accident. An advanced CFD method is also utilized to research the effects. The objective of this project is to understand

  8. The heat transfer mechanisms in fluidized beds; Laemmoensiirtomekanismit leijukerroksessa

    Energy Technology Data Exchange (ETDEWEB)

    Fogelholm, C.J.; Blomster, A.M.; Kojola, H. [Helsinki Univ. of Technology, Espoo (Finland)

    1996-12-01

    The goal of the research project is to improve the accuracy of the heat transfer correlation in circulating fluidized beds and to define how the heat transfer is distributed in radiation and convection in the different parts of the fluidized bed. This will be carried out by studying the behaviour and heat transfer of the fluidized bed in the boundary layer near the wall. The total and radiative heat transfer as well as the particle concentration will be measured. Based on the data a correlation will be created. Two different measurement systems are used. The particle concentration is measured by a image-analysis system. A video camera and a Super VHS recorder are used to capture live images from the bed. The images are digitized and stored on a PC. The system has been used in previous research projects at our laboratory. In earlier projects all measurements have been carried out in cold environments. In this project the system will be modified for hot environments. The radiative heat transfer is measured by a radiative heat transfer probe connected to a PC via an A/D converter. The probe consists of a heat flow detector which is isolated from the bed by a sapphire window so that only the radiative part of the heat transfer is detected. The probe will be calibrated in a black body oven so that the effect of the conduction and the sapphire window can be separated. (author)

  9. [Mechanisms of electron transfer to insoluble terminal acceptors in chemoorganotrophic bacteria].

    Science.gov (United States)

    Samarukha, I A

    2014-01-01

    The mechanisms of electron transfer of association of chemoorganotrophic bacteria to the anode in microbial fuel cells are summarized in the survey. These mechanisms are not mutually exclusive and are divided into the mechanisms of mediator electron transfer, mechanisms of electron transfer with intermediate products of bacterial metabolism and mechanism of direct transfer of electrons from the cell surface. Thus, electron transfer mediators are artificial or synthesized by bacteria riboflavins and phenazine derivatives, which also determine the ability of bacteria to antagonism. The microorganisms with hydrolytic and exoelectrogenic activity are involved in electron transfer mechanisms that are mediated by intermediate metabolic products, which are low molecular carboxylic acids, alcohols, hydrogen etc. The direct transfer of electrons to insoluble anode is possible due to membrane structures (cytochromes, pili, etc.). Association of microorganisms, and thus the biochemical mechanisms of electron transfer depend on the origin of the inoculum, substrate composition, mass transfer, conditions of aeration, potentials and location of electrodes and others, that are defined by technological and design parameters.

  10. Transfer Characteristics in Mechanically Stirred Airlift Loop Reactors with or without Static Mixers

    Institute of Scientific and Technical Information of China (English)

    吕效平; 王延儒; 时钧

    2000-01-01

    The mechanically stirred internal loop airlift reactors equipped with or without static mixers are devised for intensification of gas-liquid mass transfer rate. The influences of superficial gas velocity, agitation or static mixers on gas hold-up, mixing time, liquid circulating velocity and volumetric mass transfer coefficient have been investigated with tap water and carboxymethyl cellulose (CMC) aqueous solution. The experimental results indicate that mechanical agitation is more efficacious than static mixer in highly viscous media for improving mass transfer in airlift reactors. The empirical correlation of volumetric mass transfer coefficient with apparent viscosity, and energy consumption for mechanical agitation and aeration is developed.

  11. Mechanisms of Transfer: Modeling Motivational and Self-Regulatory Processes That Promote Transfer of Learning

    Science.gov (United States)

    Gonzalez, John A.

    2012-01-01

    A critical goal of many school and training interventions is to provide learners with the strategies and foundational knowledge that will allow them to tackle novel problems encountered under circumstances different than the learning situations. This is also quite often referred to as the ability to transfer learning. Theories of transfer posit…

  12. Investigation of plasma hydrogenation and trapping mechanism for layer transfer

    Science.gov (United States)

    Chen, Peng; Chu, Paul K.; Höchbauer, T.; Lee, J.-K.; Nastasi, M.; Buca, D.; Mantl, S.; Loo, R.; Caymax, M.; Alford, T.; Mayer, J. W.; Theodore, N. David; Cai, M.; Schmidt, B.; Lau, S. S.

    2005-01-01

    Hydrogen ion implantation is conventionally used to initiate the transfer of Si thin layers onto Si wafers coated with thermal oxide. In this work, we studied the feasibility of using plasma hydrogenation to replace high dose H implantation for layer transfer. Boron ion implantation was used to introduce H-trapping centers into Si wafers to illustrate the idea. Instead of the widely recognized interactions between boron and hydrogen atoms, this study showed that lattice damage, i.e., dangling bonds, traps H atoms and can lead to surface blistering during hydrogenation or upon postannealing at higher temperature. The B implantation and subsequent processes control the uniformity of H trapping and the trap depths. While the trap centers were introduced by B implantation in this study, there are many other means to do the same without implantation. Our results suggest an innovative way to achieve high quality transfer of Si layers without H implantation at high energies and high doses.

  13. Graphene nonvolatile memory prototype based on charge-transfer mechanism

    Science.gov (United States)

    Lv, Hongming; Wu, Huaqiang; Huang, Can; Wang, Yuda; Qian, He

    2014-04-01

    A graphene nonvolatile memory (GNVM) prototype based on charge transfer between the graphene layer and the NH2(CH2)3Si(OEt)3 (APTES) self-assembled monolayer (SAM) is demonstrated. Graphene was transferred to an APTES-SAM-engineered SiO2 substrate and patterned into bottom-gate transistors. Owing to the charge trapping/detrapping property of the nitrogen atoms in APTES, a significant and reproducible transfer curve hysteresis is observed. Memory performance metrics, including retention and endurance, are reported. Comparisons between vacuum and ambient environment test results indicate air absorbates’ detrimental effect. Loss of nonvolatile storage is explained on the basis of a two-layer tunneling junction model, which sheds light on further device improvement through aminosilane molecule structure optimization.

  14. Heat Transfer Analysis for Peristaltic Mechanism in Variable Viscosity Fluid

    Institute of Scientific and Technical Information of China (English)

    T.Hayat; F.M.Abbasi; Awatif A.Hendi

    2011-01-01

    An analysis is carried out for a peristaltic flow of a third-order fluid with heat transfer and variable viscosity when no-slip condition does not hold. Perturbation solution is discussed and a comparative study between the cases of constant and variable viscosities is presented and analyzed.%@@ An analysis is carried out for a peristaltic flow of a third-order fluid with heat transfer and variable viscosity when no-slip condition does not hold.Perturbation solution is discussed and a comparative stuity between the cases of constant and variable viscosities is presented and analyzed.

  15. Mechanism and control of convective heat transfer-- Coordination of velocity and heat flow fields

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A second look has been given at the mechanism of convective heat transfer based on the analogy between convection and conduction with heat sources. The strength of convective heat transfer depends not only on the fluid velocity and fluid properties, but also on the coordination of fluid velocity and heat flow fields. Hence, based on the included angle of velocity and temperature gradient vectors, the presence of fluid motion may enhance or reduce heat transfer. With this concept, the known heat transfer phenomena may be understood in a deeper way. More important is that some novel approaches of heat transfer control can be developed.

  16. Mechanisms and ecological role of carbon transfer within coastal seascapes.

    Science.gov (United States)

    Hyndes, Glenn A; Nagelkerken, Ivan; McLeod, Rebecca J; Connolly, Rod M; Lavery, Paul S; Vanderklift, Mathew A

    2014-02-01

    Worldwide, coastal systems provide some of the most productive habitats, which potentially influence a range of marine and terrestrial ecosystems through the transfer of nutrients and energy. Several reviews have examined aspects of connectivity within coastal seascapes, but the scope of those reviews has been limited to single systems or single vectors. We use the transfer of carbon to examine the processes of connectivity through multiple vectors in multiple ecosystems using four coastal seascapes as case studies. We discuss and compare the main vectors of carbon connecting different ecosystems, and then the natural and human-induced factors that influence the magnitude of effect for those vectors on recipient systems. Vectors of carbon transfer can be grouped into two main categories: detrital particulate organic carbon (POC) and its associated dissolved organic and inorganic carbon (DOC/DIC) that are transported passively; and mobile consumers that transport carbon actively. High proportions of net primary production can be exported over meters to hundreds of kilometers from seagrass beds, algal reefs and mangroves as POC, with its export dependent on wind-generated currents in the first two of these systems and tidal currents for the last. By contrast, saltmarshes export large quantities of DOC through tidal movement, while land run-off plays a critical role in the transport of terrestrial POC and DOC into temperate fjords. Nekton actively transfers carbon across ecosystem boundaries through foraging movements, ontogenetic migrations, or 'trophic relays', into and out of seagrass beds, mangroves or saltmarshes. The magnitude of these vectors is influenced by: the hydrodynamics and geomorphology of the region; the characteristics of the carbon vector, such as their particle size and buoyancy; and for nekton, the extent and frequency of migrations between ecosystems. Through a risk-assessment process, we have identified the most significant human disturbances

  17. Conduction mechanism studies on electron transfer of disordered system

    Institute of Scientific and Technical Information of China (English)

    徐慧; 宋祎璞; 李新梅

    2002-01-01

    Using the negative eigenvalue theory and the infinite order perturbation theory, a new method was developed to solve the eigenvectors of disordered systems. The result shows that eigenvectors change from the extended state to the localized state with the increase of the site points and the disordered degree of the system. When electric field is exerted, the electrons transfer from one localized state to another one. The conductivity is induced by the electron transfer. The authors derive the formula of electron conductivity and find the electron hops between localized states whose energies are close to each other, whereas localized positions differ from each other greatly. At low temperature the disordered system has the character of the negative differential dependence of resistivity and temperature.

  18. Evaporative Heat Transfer Mechanisms within a Heat Melt Compactor

    Science.gov (United States)

    Golliher, Eric L.; Gotti, Daniel J.; Rymut, Joseph Edward; Nguyen, Brian K; Owens, Jay C.; Pace, Gregory S.; Fisher, John W.; Hong, Andrew E.

    2013-01-01

    This paper will discuss the status of microgravity analysis and testing for the development of a Heat Melt Compactor (HMC). Since fluids behave completely differently in microgravity, the evaporation process for the HMC is expected to be different than in 1-g. A thermal model is developed to support the design and operation of the HMC. Also, low-gravity aircraft flight data is described to assess the point at which water may be squeezed out of the HMC during microgravity operation. For optimum heat transfer operation of the HMC, the compaction process should stop prior to any water exiting the HMC, but nevertheless seek to compact as much as possible to cause high heat transfer and therefore shorter evaporation times.

  19. Investigating transfer of learning in advanced quantum mechanics

    CERN Document Server

    Maries, Alexandru; Singh, Chandralekha

    2015-01-01

    Research suggests that students often have difficulty transferring their learning from one context to another. We examine upper-level undergraduate and graduate students' facility with questions about the interference pattern in the double-slit experiment (DSE) with single photons and polarizers of various orientations placed in front of one or both slits. Before answering these types of questions, students had worked through a tutorial on the Mach-Zehnder Interferometer (MZI) in which they learned about interference of single photons when polarizers of various orientations are placed in the two paths of the MZI. After working on the MZI tutorial, students were asked similar questions in the isomorphic context of the DSE. We discuss the extent to which they were able to transfer what they learned in the context of the MZI to analogous problems in the isomorphic context of the DSE.

  20. Spin polarization transfer by the radical pair mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Zarea, Mehdi, E-mail: m-zarea@northwestern.edu; Ratner, Mark A.; Wasielewski, Michael R. [Department of Chemistry and Argonne-Northwestern Solar Energy Research (ANSER) Center, Northwestern University, Evanston, Illinois 60208-3113 (United States)

    2015-08-07

    In a three-site representation, we study a spin polarization transfer from radical pair spins to a nearby electron or nuclear spin. The quantum dynamics of the radical pair spins is governed by a constant exchange interaction between the radical pair spins which have different Zeeman frequencies. Radical pair spins can recombine to the singlet ground state or to lower energy triplet states. It is then shown that the coherent dynamics of the radical pair induces spin polarization on the nearby third spin in the presence of a magnetic field. The spin polarization transfer depends on the difference between Zeeman frequencies, the singlet and triplet recombination rates, and on the exchange and dipole-dipole interactions between the different spins. In particular, the sign of the polarization depends on the exchange coupling between radical pair spins and also on the difference between singlet and triplet recombination rate constants.

  1. The heat transfer mechanisms in fluidized beds; Laemmoensiirtomekanismit leijukerroksessa

    Energy Technology Data Exchange (ETDEWEB)

    Fogelholm, C.J.; Blomster, A.M.; Kojola, H. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Energy Technology and Environmental Protection

    1997-10-01

    The goal of the research project is to improve the accuracy of the heat transfer correlation in circulating fluidized beds and to define how the heat transfer is distributed in radiation and convection in the different parts of the fluidized bed. This will be carried out by studying the behaviour and the heat transfer of the fluidized bed in the boundary layer near the wall. During the project the concentration and the velocity of the sand particles are measured. The particle concentration and the particle velocity are measured by an image analysis system. A video camera and a Super VHS recorder are used to capture live images from the bed. The images are digitized and stored on a PC. The measured particle concentration was at highest slightly over 20 % on the straight wall. As expected, the velocity of the fluidizing gas had the most important role on the particle concentration. The experimental studies of the particle velocity were started last autumn 1996. The velocities of the particles were measured by using a multiple exposure technique. Afterwards the images captured were analyzed by performing a Fourier transform analysis. So far the results have been encouraging and the analyzing work will be ended this spring. (orig.)

  2. Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: fractional electron approach.

    Science.gov (United States)

    Zeng, Xiancheng; Hu, Hao; Hu, Xiangqian; Cohen, Aron J; Yang, Weitao

    2008-03-28

    Electron transfer (ET) reactions are one of the most important processes in chemistry and biology. Because of the quantum nature of the processes and the complicated roles of the solvent, theoretical study of ET processes is challenging. To simulate ET processes at the electronic level, we have developed an efficient density functional theory (DFT) quantum mechanical (QM)/molecular mechanical (MM) approach that uses the fractional number of electrons as the order parameter to calculate the redox free energy of ET reactions in solution. We applied this method to study the ET reactions of the aqueous metal complexes Fe(H(2)O)(6)(2+/3+) and Ru(H(2)O)(6)(2+/3+). The calculated oxidation potentials, 5.82 eV for Fe(II/III) and 5.14 eV for Ru(II/III), agree well with the experimental data, 5.50 and 4.96 eV, for iron and ruthenium, respectively. Furthermore, we have constructed the diabatic free energy surfaces from histogram analysis based on the molecular dynamics trajectories. The resulting reorganization energy and the diabatic activation energy also show good agreement with experimental data. Our calculations show that using the fractional number of electrons (FNE) as the order parameter in the thermodynamic integration process leads to efficient sampling and validate the ab initio QM/MM approach in the calculation of redox free energies.

  3. Energy model of projected transfer with additional mechanical force in the welding process

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Based on the theory of electrodynamics and other relational subjects,through introducing "Surface Evolver" as the means of FEM analysis, by computing and describing the energy (electromagnetic, gravity, and so on) in the droplet transfer system, an energy model was accomplished for studying the mechanism of projected transfer mode.Furthermore, the behavior of droplet transfer was studied by analyzing its menisci with FEM, and the theoretical results coincide well with the experiment results.

  4. Photophysical properties and energy transfer mechanism of PFO/Fluorol 7GA hybrid thin films

    Energy Technology Data Exchange (ETDEWEB)

    Al-Asbahi, Bandar Ali, E-mail: alasbahibandar@gmail.com [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia (UKM), 43600 Bangi, Selangor (Malaysia); Department of Physics, Faculty of Science, Sana' a University (Yemen); Jumali, Mohammad Hafizuddin Haji, E-mail: hafizhj@ukm.my [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia (UKM), 43600 Bangi, Selangor (Malaysia); Yap, Chi Chin; Flaifel, Moayad Husein [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia (UKM), 43600 Bangi, Selangor (Malaysia); Salleh, Muhamad Mat [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia (UKM), 43600 Bangi, Selangor (Malaysia)

    2013-10-15

    Photophysical properties of poly (9,9′-di-n-octylfluorenyl-2.7-diyl) (PFO)/2-butyl-6- (butylamino)benzo [de] isoquinoline-1,3-dione (Fluorol 7GA) and energy transfer between them have been investigated. In this work, both PFO and Fluorol 7GA act as donor and acceptor, respectively. Based on the absorption and luminescence measurements, the photophysical and energy transfer properties such as fluorescence quantum yield (Φ{sub f}), fluorescence lifetime (τ), radiative rate constant (k{sub r}), non-radiative rate constant (k{sub nr}), quenching rate constant (k{sub SV}), energy transfer rate constant (k{sub ET}), energy transfer probability (P{sub DA}), energy transfer efficiency (η), critical concentration of acceptor (C{sub o}), energy transfer time (τ{sub ET}) and critical distance of energy transfer (R{sub o}) were calculated. Large values of k{sub SV}, k{sub ET} and R{sub o} suggested that Förster-type energy transfer was the dominant mechanism for the energy transfer between the excited donor and ground state acceptor molecules. It was observed that the Förster energy transfer together with the trapping process are crucial for performance improvement in ITO/(PFO/Fluorol7GA)/Al device. -- Highlights: • The efficient of energy transfer from PFO to Fluorol 7GA was evidenced. • The resonance energy transfer (Förster type) is the dominant mechanism. • Hsu et al. model was used to calculate Φ{sub f}, τ, k{sub r} and k{sub nr} of PFO thin film. • Several of the photophysical and energy transfer properties were calculated. • Trapping process and Förster energy transfer led to improve the device performance.

  5. Heat Transfer Mechanism of a Vertical Wall Inside a Two-Phase Closed Thermosiphon Evaporator and Its Estimation

    Science.gov (United States)

    O-Uchi, Masaki; Hirose, Koichi; Saito, Futami

    The inside heat transfer coefficient, overall heat transfer coefficient, and heat flow rate at the heating section of the thermosiphon were determined for each heating method. In order to observe the heat transfer mechanism in the evaporator, a thermosiphon unit made of glass was assembled and conducted separately. The results of these experiments with these two units are summarized as follows. (1) Nucleate boiling due to the internal heat transfer mechanism improves the heat transfer characteristics of the thermosiphon unit. Under the specific heating conditions with dropwise condensation, there are two types of heat transfer mechanism occur in the evaporator accompanying nucleate boiling, i. e. latent heat transfer and sensible heat transfer. (2) In the case of latent heat transfer, the inside heat transfer coefficient has an upper limit which can be used as a criterion to determine the type of internal heat transfer mechanism.

  6. [Combined hopping-superexchange mechanism of charge transfer in DNA; a model with nearest interactions].

    Science.gov (United States)

    Lakhno, V D; Sultanov, V B

    2007-01-01

    In the framework of the earlier developed combined hopping-superexchange mechanism of charge transfer in DNA, a model with all nearest interactions between nucleobases is proposed. It is shown that the transfer rates for various types of nucleotide sequences calculated within this model are in a good agreement with experimental data.

  7. Client-vendor knowledge transfer mechanisms in the context of information systems outsourcing

    CSIR Research Space (South Africa)

    Smuts, H

    2015-08-01

    Full Text Available transfer mechanisms, this paper focuses on the management of knowledge in a client-vendor knowledge transfer context. By considering the ways in which knowledge can be created and exploited for inter-organisational client-vendor situations, benefit may...

  8. Dynamics of Electron Transfer for a Nonsuperexchange Coherent Mechanism. I

    Science.gov (United States)

    1989-10-13

    numerically. One rough but simple analytical result for the latter is also given. tPresent address: Departmento de Quimica , Facultad de Ciencias...With the change of coordinates from (q,, q21, q3) to (x, y, z) it is seen from eqs. (2.9) - (2.11) that the x-motion is identical for all H,’s and so...the geometrical changes . The calculation of the dynamics of the electron transfer starting from electronic configuration 1, i.e., from D*BA, now

  9. Transfer function modeling of damping mechanisms in distributed parameter models

    Science.gov (United States)

    Slater, J. C.; Inman, D. J.

    1994-01-01

    This work formulates a method for the modeling of material damping characteristics in distributed parameter models which may be easily applied to models such as rod, plate, and beam equations. The general linear boundary value vibration equation is modified to incorporate hysteresis effects represented by complex stiffness using the transfer function approach proposed by Golla and Hughes. The governing characteristic equations are decoupled through separation of variables yielding solutions similar to those of undamped classical theory, allowing solution of the steady state as well as transient response. Example problems and solutions are provided demonstrating the similarity of the solutions to those of the classical theories and transient responses of nonviscous systems.

  10. Transfer function modeling of damping mechanisms in viscoelastic plates

    Science.gov (United States)

    Slater, J. C.; Inman, D. J.

    1991-01-01

    This work formulates a method for the modeling of material damping characteristics in plates. The Sophie German equation of classical plate theory is modified to incorporate hysteresis effects represented by complex stiffness using the transfer function approach proposed by Golla and Hughes, (1985). However, this procedure is not limited to this representation. The governing characteristic equation is decoupled through separation of variables, yielding a solution similar to that of undamped classical plate theory, allowing solution of the steady state as well as the transient response problem.

  11. Mechanisms of ion-bombardment-induced DNA transfer into bacterial E. coli cells

    Energy Technology Data Exchange (ETDEWEB)

    Yu, L.D., E-mail: yuld@thep-center.org [Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand); Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Sangwijit, K. [Molecular Biology Laboratory, Department of Biology, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Prakrajang, K. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Faculty of Science, Maejo University, Chiang Mai 50290 (Thailand); Phanchaisri, B. [Institute of Science and Technology Research, Chiang Mai University, Chiang Mai 50200 (Thailand); Thongkumkoon, P. [Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand); Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thopan, P. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Singkarat, S. [Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand); Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Anuntalabhochai, S. [Molecular Biology Laboratory, Department of Biology, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2014-05-01

    Highlights: • Ion bombardment could induce DNA transfer into E. coli cells. • The DNA transfer induction depended on ion energy and fluence. • The mechanism was associated with the bacterial cell envelope structure. • A mechanism phase diagram was proposed to summarize the mechanism. - Abstract: As a useful ion beam biotechnology, ion-bombardment-induced DNA transfer into bacterial Escherichia coli (E. coli) cells has been successfully operated using argon ions. In the process ion bombardment of the bacterial cells modifies the cell envelope materials to favor the exogenous DNA molecules to pass through the envelope to enter the cell. The occurrence of the DNA transfer induction was found ion energy and fluence dependent in a complex manner. At ion energy of a few keV and a few tens of keV to moderate fluences the DNA transfer could be induced by ion bombardment of the bacterial cells, while at the same ion energy but to high fluences DNA transfer could not be induced. On the other hand, when the ion energy was medium, about 10–20 keV, the DNA transfer could not be induced by ion bombardment of the cells. The complexity of the experimental results indicated a complex mechanism which should be related to the complex structure of the bacterial E. coli cell envelope. A phase diagram was proposed to interpret different mechanisms involved as functions of the ion energy and fluence.

  12. Investigation of Mechanical Loss Components and Heat Transfer in an Axial-Flux PM Machine

    OpenAIRE

    Wrobel, Rafal; Vaniel, Gyula; Copeland, Colin; Duda, Tomasz; Staton, David; Mellor, Phil

    2015-01-01

    This paper investigates components of mechanical loss together with heat transfer effects in an axial-flux permanent-magnet motor. The mechanical loss components generated within electrical machines are well known; however, their prediction or derivation has not been widely reported in the literature. These, together with the electromagnetic loss sources and heat transfer effects, are crucial and must be accounted for when considering high-power-density, high-speed, and/or compact machine des...

  13. Control of distributed heat transfer mechanisms in membrane distillation plants

    KAUST Repository

    Laleg-Kirati, Taous-Meriem

    2017-01-05

    Various examples are provided that are related to boundary control in membrane distillation (MD) processes. In one example, a system includes a membrane distillation (MD) process comprising a feed side and a permeate side separated by a membrane boundary layer; and processing circuitry configured to control a water production rate of the MD process based at least in part upon a distributed heat transfer across the membrane boundary layer. In another example, a method includes determining a plurality of estimated temperature states of a membrane boundary layer separating a feed side and a permeate side of a membrane distillation (MD) process; and adjusting inlet flow rate or inlet temperature of at least one of the feed side or the permeate side to maintain a difference temperature along the membrane boundary layer about a defined reference temperature based at least in part upon the plurality of estimated temperature states.

  14. MD 1856 - Landau Damping: Beam Transfer Functions and diffusion mechanisms

    CERN Document Server

    Tambasco, Claudia; Boccardi, Andrea; Buffat, Xavier; Gasior, Marek; Lefevre, Thibaut; Levens, Tom; Pojer, Mirko; Salvachua Ferrando, Belen Maria; Solfaroli Camillocci, Matteo; Pieloni, Tatiana; Crouch, Matthew Paul; CERN. Geneva. ATS Department

    2017-01-01

    In the 2012, 2015 and 2016 several instabilities were developing during the betatron squeeze where beam-beam interactions become stronger modifying the tune spread provided by the octupoles magnets. Studies of the stability area computed by evaluating the dispersion integral for different tune spread couldn’t explain the 2012 observed instabilities during the squeeze. The size of the stability area given by the computed dispersion integral depends on the transverse tune spread but its shape is defined by the particle distribution in the beams. Therefore any change of the particle distribution due to for instance a diffusion from excited resonances can lead to a deterioration of the Landau stability area. The Beam Transfer Functions (BTF) measurements are direct measurement of the Stability Diagrams (SD). They are sensitive to the particle distribution and contain information about the transverse tune spread in the beams. In this MD we wanted to verify the findings of MD 1407 and try to explain observed inst...

  15. A Mass Transfer Model Based on Individual Bubbles and an Unsteady State Film Mechanism

    Institute of Scientific and Technical Information of China (English)

    赵斌; 王铁峰; 王金福

    2004-01-01

    A gas-liquid mass transfer model based on an unsteady state film mechanism applied to a single bubble is presented. The mathematical model was solved using Laplace transform to obtain an analytical solution of concentration profile in terms of the radial position r and time t. The dynamic mass transfer flux was deduced and the influence of the bubble size was also determined. A mathematical method for deducing the average mass transfer flux directly from the Laplace transformed concentration is presented. Its accuracy is verified by comparing the numerical results with those from the indirect method. The influences of the model parameters, namely, the bubble size R, liquid film thickness δ, and the surface renewal constant s on the average mass transfer flux were investigated. The proposed model is useful for a better understanding of the mass transfer mechanism and an optimum design of gas-liquid contact equipment.

  16. Spectral mapping of heat transfer mechanisms at liquid-solid interfaces

    CERN Document Server

    Sääskilahti, K; Tulkki, J; Volz, S

    2015-01-01

    Thermal transport through liquid-solid interfaces plays an important role in many chemical and biological processes, and better understanding of liquid-solid energy transfer is expected to enable improving the efficiency of thermally driven applications. We determine the spectral distribution of thermal current at liquid-solid interfaces from nonequilibrium molecular dynamics, delivering a detailed picture of the contributions of different vibrational modes to liquid-solid energy transfer. Our results show that surface modes located at the Brillouin zone edge and polarized along the liquid-solid surface normal play a crucial role in liquid-solid energy transfer. Strong liquid-solid adhesion allows also for the coupling of in-plane polarized modes in the solid with the liquid, enhancing the heat transfer rate and enabling efficient energy transfer up to the cut-off frequency of the solid. Our results provide fundamental understanding of the energy transfer mechanisms in liquid-solid systems and enable detailed...

  17. Governance Mechanisms for the Promotion of Social Capital for Knowledge Transfer in Multinational Corporations

    DEFF Research Database (Denmark)

    Gooderham, Paul; Minbaeva, Dana; Pedersen, Torben

    2011-01-01

    are combined with theory on the determinants of social capital. Three governance mechanisms are identified: market-based mechanisms, hierarchical mechanisms, and social mechanisms. The findings, based on data from two Danish MNCs, indicate that although the use of social governance mechanisms promotes positive......The aim of this paper is to extend social capital approaches to knowledge transfer by identifying governance mechanisms that managers can deploy to promote the development of social capital. In order to achieve this objective, insights from the micro-level, knowledge governance approach...... assessment of social capital, hierarchical governance mechanisms constrain its development. The application of market-based governance mechanisms has no significant effect. In addition, the findings provide evidence that social capital has a positive impact on knowledge transfer...

  18. Robotic Powered Transfer Mechanism modeling on Human Muscle Structure

    Science.gov (United States)

    Saito, Yukio

    It is considered in engineering that one power source can operate one joint. However, support movement mechanism of living organism is multi joint movement mechanism. Considerably different from mechanical movement mechanism, two pairs of uni-articular muscles and a pair of bi-articular muscles are involved in it. In leg, movements observed in short run including leg idling, heel contact and toeing are operated by bi-articular muscles of the thigh showing strong legs to support body weight. Pursuit of versatility in welfare robot brings its comparison with conventional machinery or industrial robot to the fore. Request for safety and technology allowing elderly people to operate the robot is getting stronger in the society. The robot must be safe when it is used together with other welfare equipment and simpler system avoiding difficult operation has to be constructed. Appearance of recent care and assistance robot is getting similar to human arm in comparison with industrial robot. Being easily able to imagine from industrial robot, mid-heavyweight articulated robot to support 60-70kgf combined with large output motor and reduction gears is next to impossible to be installed in the bath room. This research indicated that upper limb arm and lower limb thigh of human and animals are holding coalitional muscles and movement of uni-artcular muscle and bi-articular muscle conjure the image of new actuators.

  19. Reduction of soil-plant transfer-factors - mechanical aspects

    DEFF Research Database (Denmark)

    Maubert, H.; Vovk, I.; Roed, Jørn;

    1993-01-01

    In order to reduce food-chain contamination after a nuclear accident, mechanical actions may be taken to remove the radionuclides, or to prevent their uptake. Some of these actions have been reviewed by a working group in the REACT workshop. The conclusions of the group are briefly reviewed using...

  20. Resonant electronic excitation energy transfer by Dexter mechanism in the quantum dot system

    Science.gov (United States)

    Samosvat, D. M.; Chikalova-Luzina, O. P.; Vyatkin, V. M.; Zegrya, G. G.

    2016-11-01

    In present work the energy transfer between quantum dots by the exchange (Dexter) mechanism is analysed. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same compound A3B5 and embedded in the matrix of other material creating potential barriers for electron and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found using the Kane model that provides the most adequate description spectra of semiconductors A3B5. Numerical calculations show that the rate of the energy transfer by Dexter mechanism is comparable to the rate of the energy transfer by electrostatic mechanism at the distances approaching to the contact ones.

  1. Charge Transfer Characteristics and Initiation Mechanisms of Long Delayed Sprites

    Science.gov (United States)

    Li, J.; Cummer, S. A.; Lyons, W. A.; Nelson, T. E.

    2007-12-01

    Simultaneous measurements of high altitude optical emissions and the magnetic field produced by sprite-associated lightning discharges enable a close examination of the link between low altitude lightning process and high altitude sprite process. In this work, we report results of the coordinated analysis of high speed (1000--10000 frames per second) sprite video and wideband (0.1 Hz to 30 kHz) magnetic field measurements made simultaneously at the Yucca Ridge Field Station and Duke University during the June through August 2005 campaign period. During the observation period, the high speed camera detected 83 sprite events in 67 TLE sequences, which are caused by the same number of +CGs. 46% of these sprite events are delayed more than 10 ms after the lightning return stroke. With the estimated lightning source current moment waveform, we computed the continuing current amplitude and total charge transfer characteristics of the long delayed sprites (>10 ms delay). Our calculation shows the total charge moment change of the long delayed sprites can vary from several hundred C km to more than ten thousand C km. All the long delayed sprites are related with intense continuing current bigger than 2 kA. This continuing current provides about 50% to 90% of the total charge transfer. However, a bigger continuing current does not necessarily mean a shorter time delay. This indicates that other processes also involved in the sprite initiation for long delayed sprites. In our observations, the sferic burst, a high frequency noise caused by intra-cloud activity, is always accompanied by a slow intensification in the lightning source current before the time of sprite initiation. Thus we used the lightning source current as an input and employed a 2-D FDTD model to numerically simulate the electric field at different altitudes and compare it with the breakdown field. Including the effect of the electron mobility dependence on electric field, the simulation results showed that

  2. MD 1407 - Landau Damping: Beam Transfer Functions and diffusion mechanisms

    CERN Document Server

    Tambasco, Claudia; Boccardi, Andrea; Buffat, Xavier; Gasior, Marek; Lefevre, Thibaut; Levens, Tom; Pojer, Mirko; Salvachua Ferrando, Belen Maria; Solfaroli Camillocci, Matteo; Pieloni, Tatiana; Crouch, Matthew Paul; CERN. Geneva. ATS Department

    2017-01-01

    In the 2012, 2015 and 2016 run several instabilities were developing at flat-top, during and at the end of the betatron squeeze where beam-beam interactions are present. The tune spread in the beams is therefore modified by the beam-beam long-range interactions and by other sources of spread. Studies of the stability area computed by evaluating the dispersion integral for different tune spreads couldn’t explain the observed instabilities during the squeeze and stable beams. The size of the stability area given by the computed dispersion integral depends on the transverse tune spread but its shape is defined by the particle distribution in the beams. Therefore any change of the particle distribution can lead to a deterioration of the Landau stability area. The Beam Transfer Functions (BTF) are direct measurements of the Stability Diagrams (SD). They are sensitive to particle distributions and contain information about the transverse tune spread in the beams. In this note are summarized the results of the BTF...

  3. Flux Transfer Events: 1. generation mechanism for strong southward IMF

    Directory of Open Access Journals (Sweden)

    J. Raeder

    2006-03-01

    Full Text Available We use a global numerical model of the interaction of the solar wind and the interplanetary magnetic field with Earth's magnetosphere to study the formation process of Flux Transfer Events (FTEs during strong southward IMF. We find that: (i The model produces essentially all observational features expected for FTEs, in particular the bipolar signature of the magnetic field BN component, the correct polarity, duration, and intermittency of that bipolar signature, strong core fields and enhanced core pressure, and flow enhancements; (ii FTEs only develop for large dipole tilt whereas in the case of no dipole tilt steady magnetic reconnection occurs at the dayside magnetopause; (iii the basic process by which FTEs are produced is the sequential generation of new X-lines which makes dayside reconnection inherently time dependent and leads to a modified form of dual or multiple X-line reconnection; (iv the FTE generation process in this model is not dependent on specific assumptions about microscopic processes; (v the average period of FTEs can be explained by simple geometric arguments involving magnetosheath convection; (vi FTEs do not develop in the model if the numerical resolution is too coarse leading to too much numerical diffusion; and (vii FTEs for nearly southward IMF and large dipole tilt, i.e., near solstice, should only develop in the winter hemisphere, which provides a testable prediction of seasonal modulation. The semiannual modulation of intermittent FTE reconnection versus steady reconnection is also expected to modulate magnetospheric and ionospheric convection and may thus contribute to the semiannual variation of geomagnetic activity.

  4. Mechanisms of bridge-mediated electron transfer: a TDDFT electronic dynamics study.

    Science.gov (United States)

    Ding, Feizhi; Chapman, Craig T; Liang, Wenkel; Li, Xiaosong

    2012-12-14

    We present a time-dependent density functional theory approach for probing the dynamics of electron transfer on a donor-bridge-acceptor polyene dye scaffold. Two kinds of mechanisms, namely, the superexchange mechanism and the sequential mechanism, may be involved in the electron transfer process. In this work, we have focused on the crossover between these two charge transfer mechanisms on a series of donor-bridge-acceptor polyene dye systems with varying lengths of conjugated bridges. A number of methods and quantities are used to assist in the analysis, including the phase relationship of charge evolution and frequency domain spectra of the time-dependent dipole. Our simulations show that the superexchange mechanism plays a dominant role in the electron transfer from donor to acceptor when the bridge length is small, and the sequential mechanism becomes more important as the polyene bridge is lengthened. Full Ehrenfest dynamics with nuclear motion show that molecular vibrations play a very small role in such ultrafast charge transfer processes.

  5. Finite element procedures for coupled linear analysis of heat transfer, fluid and solid mechanics

    Science.gov (United States)

    Sutjahjo, Edhi; Chamis, Christos C.

    1993-01-01

    Coupled finite element formulations for fluid mechanics, heat transfer, and solid mechanics are derived from the conservation laws for energy, mass, and momentum. To model the physics of interactions among the participating disciplines, the linearized equations are coupled by combining domain and boundary coupling procedures. Iterative numerical solution strategy is presented to solve the equations, with the partitioning of temporal discretization implemented.

  6. Transfer Characteristics in Mechanically Stirred AirliftLoop Reactors with or without Static Mixers

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The mechanically stirred internal loop airlift reactors equipped with or without static mixersare devised for intensification of gas-liquid mass transfer rate. The influences of superficial gas velocity,agitation or static mixers on gas hold-up, mixing time, liquid circulating velocity and volumetric masstransfer coefficient have been investigated with tap water andcarboxymethyl cellulose(CMC) aqueous solution. The experimentalresults indicate that mechanical agitation is more efficacious than static mixer in highly viscous mediafor improving mass transfer in airlift reactors. The empirical correlation of volumetric mass transfercoefficient with apparent viscosity, and energy consumption for mechanical agitation and aeration isdeveloped.

  7. Insights into the Phosphoryl Transfer Mechanism of Human Ubiquitous Mitochondrial Creatine Kinase.

    Science.gov (United States)

    Li, Quanjie; Fan, Shuai; Li, Xiaoyu; Jin, Yuanyuan; He, Weiqing; Zhou, Jinming; Cen, Shan; Yang, ZhaoYong

    2016-12-02

    Human ubiquitous mitochondrial creatine kinase (uMtCK) is responsible for the regulation of cellular energy metabolism. To investigate the phosphoryl-transfer mechanism catalyzed by human uMtCK, in this work, molecular dynamic simulations of uMtCK∙ATP-Mg(2+)∙creatine complex and quantum mechanism calculations were performed to make clear the puzzle. The theoretical studies hereof revealed that human uMtCK utilizes a two-step dissociative mechanism, in which the E227 residue of uMtCK acts as the catalytic base to accept the creatine guanidinium proton. This catalytic role of E227 was further confirmed by our assay on the phosphatase activity. Moreover, the roles of active site residues in phosphoryl transfer reaction were also identified by site directed mutagenesis. This study reveals the structural basis of biochemical activity of uMtCK and gets insights into its phosphoryl transfer mechanism.

  8. Quantum Chemical Study on a New Mechanism of One-carbon Unit Transfer Reaction:The Water-assisted Mechanism

    Institute of Scientific and Technical Information of China (English)

    QIAO,Qing-An(乔青安); CAI,Zheng-Ting(蔡政亭); FENG,Da-Cheng(冯大诚)

    2004-01-01

    It is a theoretical study on the water-assisted mechanism of one-carbon unit transfer reaction, in which the energy barrier for each transition state lowered by about 80-100 kJ/mol when compared with the one in no-water-involved mechanism. The water-assisted path 4 is the favorite reaction way. Our results well explained the presumption from experiments.

  9. Fundamental mechanisms that influence the estimate of heat transfer to gas turbine blades

    Science.gov (United States)

    Graham, R. W.

    1979-01-01

    Estimates of the heat transfer from the gas to stationary (vanes) or rotating blades poses a major uncertainty due to the complexity of the heat transfer processes. The gas flow through these blade rows is three dimensional with complex secondary viscous flow patterns that interact with the endwalls and blade surfaces. In addition, upstream disturbances, stagnation flow, curvature effects, and flow acceleration complicate the thermal transport mechanisms in the boundary layers. Some of these fundamental heat transfer effects are discussed. The chief purpose of the discussion is to acquaint those in the heat transfer community, not directly involved in gas turbines, of the seriousness of the problem and to recommend some basic research that would improve the capability for predicting gas-side heat transfer on turbine blades and vanes.

  10. Syntrophic growth with direct interspecies electron transfer as the primary mechanism for energy exchange

    DEFF Research Database (Denmark)

    Shrestha, Pravin Malla; Rotaru, Amelia-Elena; Aklujkar, Muktak

    2013-01-01

    Direct interspecies electron transfer (DIET) through biological electrical connections is an alternative to interspecies H2 transfer as a mechanism for electron exchange in syntrophic cultures. However, it has not previously been determined whether electrons received via DIET yield energy...... dehydrogenase, the pilus-associated c-type cytochrome OmcS and pili consistent with electron transfer via DIET. These results suggest that electrons transferred via DIET can serve as the sole energy source to support anaerobic respiration....... to support cell growth. In order to investigate this, co-cultures of Geobacter metallireducens, which can transfer electrons to wild-type G. sulfurreducens via DIET, were established with a citrate synthase-deficient G. sulfurreducens strain that can receive electrons for respiration through DIET only...

  11. An estimate of spherical impactor energy transfer for mechanical frequency up-conversion energy harvester

    Science.gov (United States)

    Corr, L. R.; Ma, D. T.

    2016-08-01

    Vibration energy harvesters, which use the impact mechanical frequency up-conversion technique, utilize an impactor, which gains kinetic energy from low frequency ambient environmental vibrations, to excite high frequency systems that efficiently convert mechanical energy to electrical energy. To take full advantage of the impact mechanical frequency up-conversion technique, it is prudent to understand the energy transfer from the low frequency excitations, to the impactor, and finally to the high frequency systems. In this work, the energy transfer from a spherical impactor to a multi degree of freedom spring / mass system, due to Hertzian impact, is investigated to gain insight on how best to design impact mechanical frequency up-conversion energy harvesters. Through this academic work, it is shown that the properties of the contact (or impact) area, i.e., radius of curvature and material properties, only play a minor role in energy transfer and that the equivalent mass of the target system (i.e., the spring / mass system) dictates the total amount of energy transferred during the impact. The novel approach of utilizing the well-known Hertzian impact methodology to gain an understanding of impact mechanical frequency up-conversion energy harvesters has made it clear that the impactor and the high frequency energy generating systems must be designed together as one system to ensure maximum energy transfer, leading to efficient ambient vibration energy harvesters.

  12. Boiling Heat Transfer Mechanisms in Earth and Low Gravity: Boundary Condition and Heater Aspect Ratio Effects

    Science.gov (United States)

    Kim, Jungho

    2004-01-01

    Boiling is a complex phenomenon where hydrodynamics, heat transfer, mass transfer, and interfacial phenomena are tightly interwoven. An understanding of boiling and critical heat flux in microgravity environments is of importance to space based hardware and processes such as heat exchange, cryogenic fuel storage and transportation, electronic cooling, and material processing due to the large amounts of heat that can be removed with relatively little increase in temperature. Although research in this area has been performed in the past four decades, the mechanisms by which heat is removed from surfaces in microgravity are still unclear. Recently, time and space resolved heat transfer data were obtained in both earth and low gravity environments using an array of microheaters varying in size between 100 microns to 700 microns. These heaters were operated in both constant temperature as well as constant heat flux mode. Heat transfer under nucleating bubbles in earth gravity were directly measured using a microheater array with 100 m resolution operated in constant temperature mode with low and high subcooled bulk liquid along with images from below and from the side. The individual bubble departure diameter and energy transfer were larger with low subcooling but the departure frequency increased at high subcooling, resulting in higher overall heat transfer. The bubble growth for both subcoolings was primarily due to energy transfer from the superheated liquid layer relatively little was due to wall heat transfer during the bubble growth process. Oscillating bubbles and sliding bubbles were also observed in highly subcooled boiling. Transient conduction and/or microconvection was the dominant heat transfer mechanism in the above cases. A transient conduction model was developed and compared with the experimental data with good agreement. Data was also obtained with the heater array operated in a constant heat flux mode and measuring the temperature distribution across

  13. Characterization and modelling of interspecies electron transfer mechanisms and microbial community dynamics of a syntrophic association

    DEFF Research Database (Denmark)

    Nagarajan, Harish; Embree, Mallory; Rotaru, Amelia-Elena

    2013-01-01

    Syntrophic associations are central to microbial communities and thus have a fundamental role in the global carbon cycle. Despite biochemical approaches describing the physiological activity of these communities, there has been a lack of a mechanistic understanding of the relationship between...... metallireducens and Geobacter sulfurreducens. Genome-scale modelling of direct interspecies electron transfer reveals insights into the energetics of electron transfer mechanisms. While G. sulfurreducens adapts to rapid syntrophic growth by changes at the genomic and transcriptomic level, G. metallireducens...

  14. Organizational-economic mechanism of transfer of innovation Urals (for example, "Rural tourism"

    Directory of Open Access Journals (Sweden)

    Anna Latysheva

    2015-05-01

    Full Text Available The article is devoted to questions of organizational and economic mechanisms of transfer of innovation and improvement of the Urals this process means "rural tourism." This paper draws attention to the training of rural specialists. The authors explain the principles and means of the transfer of innovation on the example of the "Marin cliff." Just show that government, business and science, interacting, can improve the competitiveness of agriculture and successfully carried out import of agricultural products.

  15. Energy transfer properties and mechanisms. Technical progress report, 1 March 1991--15 August 1993

    Energy Technology Data Exchange (ETDEWEB)

    Barker, J.R.

    1993-12-31

    Since no single experimental technique is the best method for energy transfer experiments, we have used both time-dependent infrared fluorescence (IRF) and time-dependent thermal lensing (TDTL) to study energy transfer in various systems. We are investigating pump-probe techniques employing resonance enhanced multiphoton ionization (REMPI). IRF was used to study benzene, azulene, and toluene. TDTL was used to study CS{sub 2} and SO{sub 2} (data not given for latter). Large molecule energy transfer mechanisms are discussed. 10 figs.

  16. Optimized Data Transfers Based on the OpenCL Event Management Mechanism

    Directory of Open Access Journals (Sweden)

    Hiroyuki Takizawa

    2015-01-01

    Full Text Available In standard OpenCL programming, hosts are supposed to control their compute devices. Since compute devices are dedicated to kernel computation, only hosts can execute several kinds of data transfers such as internode communication and file access. These data transfers require one host to simultaneously play two or more roles due to the need for collaboration between the host and devices. The codes for such data transfers are likely to be system-specific, resulting in low portability. This paper proposes an OpenCL extension that incorporates such data transfers into the OpenCL event management mechanism. Unlike the current OpenCL standard, the main thread running on the host is not blocked to serialize dependent operations. Hence, an application can easily use the opportunities to overlap parallel activities of hosts and compute devices. In addition, the implementation details of data transfers are hidden behind the extension, and application programmers can use the optimized data transfers without any tricky programming techniques. The evaluation results show that the proposed extension can use the optimized data transfer implementation and thereby increase the sustained data transfer performance by about 18% for a real application accessing a big data file.

  17. Experience Transfer in Norwegian Oil and Gas Industry: Approaches and Organizational Mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Aase, Karina

    1997-07-01

    The core aim of the study is to explore the concept of experience transfer in oil and gas industry, and how an oil company approaches this concept. The thesis consists of five papers which are combined in a general description entitled 'Experience transfer in Norwegian oil and gas industry: approaches and organizational mechanisms'. The first paper describes how organizational members perceive experience transfer, and then specifies the many organizational and structural barriers that have to be overcome to achieve efficient experience transfer. The second paper elaborates and assesses the organizational means an oil company implements to address experience transfer. The third paper describes a process of improving and using requirement and procedure handbooks for experience transfer. The fourth paper explores in more detail how the use of information technology influences experience transfer. And the fifth paper compares organizational members' perceptions of experience transfer means in an oil company and an engineering company involved in offshore development projects. Some of the papers are based upon the same data material. Therefore there are reiterations in parts of the contents, especially in the methodological sections.

  18. Electron transfer mechanism in Shewanella loihica PV-4 biofilms formed at graphite electrode.

    Science.gov (United States)

    Jain, Anand; Zhang, Xiaoming; Pastorella, Gabriele; Connolly, Jack O; Barry, Niamh; Woolley, Robert; Krishnamurthy, Satheesh; Marsili, Enrico

    2012-10-01

    Electron transfer mechanisms in Shewanella loihica PV-4 viable biofilms formed at graphite electrodes were investigated in potentiostat-controlled electrochemical cells poised at oxidative potentials (0.2V vs. Ag/AgCl). Chronoamperometry (CA) showed a repeatable biofilm growth of S. loihica PV-4 on graphite electrode. CA, cyclic voltammetry (CV) and its first derivative shows that both direct electron transfer (DET) mediated electron transfer (MET) mechanism contributes to the overall anodic (oxidation) current. The maximum anodic current density recorded on graphite was 90 μA cm(-2). Fluorescence emission spectra shows increased concentration of quinone derivatives and riboflavin in the cell-free supernatant as the biofilm grows. Differential pulse voltammetry (DPV) show accumulation of riboflavin at the graphite interface, with the increase in incubation period. This is the first study to observe a gradual shift from DET to MET mechanism in viable S. loihica PV-4 biofilms.

  19. Spectral Properties and Energy Transfer between Ce(3+) and Yb(3+) in the Ca3Sc2Si3O12 Host: Is It an Electron Transfer Mechanism?

    Science.gov (United States)

    Zhou, Lei; Tanner, Peter A; Ning, Lixin; Zhou, Weijie; Liang, Hongbin; Zheng, Lirong

    2016-07-21

    The downshifting from Ce(3+) blue emission to Yb(3+) near-infrared emission has been studied in the garnet host Ca2.8-2xCe0.1YbxNa0.1+xSc2Si3O12 (x = 0-0.36). The downshifting does not involve quantum cutting, but one incident blue photon is transferred from Ce(3+) to Yb(3+) with an energy transfer efficiency up to 90% when x = 0.36 for the Yb(3+) dopant ion. For x ≤ 0.15, a multiphonon-assisted electric dipole-electric quadrupole mechanism of energy transfer dominates, while for the highest concentration of Yb(3+) employed, the electron transfer mechanism is confirmed. A temperature-dependent increase of the Ce(3+) → Yb(3+) energy transfer rate does not exclusively indicate the electron transfer mechanism. The application of the material to solar energy conversion is indicated.

  20. Thermophysical property data - Who needs them. [similarity principle applications in fluid mechanics and heat transfer

    Science.gov (United States)

    Hendricks, R. C.

    1979-01-01

    Specific examples are cited herein to illustrate the universal needs and demands for thermophysical property data. Applications of the principle of similarity in fluid mechanics and heat transfer and extensions of the principle to fluid mixtures are discussed. It becomes quite clear that no matter how eloquent theories or experiments in fluid mechanics or heat transfer are, the results of their application can be no more accurate than the thermophysical properties required to transform these theories into practice, or in the case of an experiment, to reduce the data. Present-day projects take place on such a scale that the need for international standards and mutual cooperation is evident.

  1. Kinetics of diffusive decomposition in the case of several mass transfer mechanisms

    Science.gov (United States)

    Alexandrov, D. V.

    2017-01-01

    An analytical description of the final stage of diffusive decomposition leaning upon the Slezov theory is developed for several mass transfer mechanisms. The process of formation and relaxation of the crystal size distribution function from the initial ripening stage to its final state corresponding to the universal distribution is studied. The boundary points of a transition region responsible for the tails of the distribution functions on the right of the relevant stopping points are found analytically. The explicit time-dependent analytical expressions for the distribution function and particle growth rates are derived with allowance for the plausible mechanisms of mass transfer.

  2. Vapor-induced transfer of bacteria in the absence of mechanical disturbances

    Energy Technology Data Exchange (ETDEWEB)

    Ayoub, G.M., E-mail: gayoub@aub.edu.lb [Department of Civil and Environmental Engineering, American University of Beirut (Lebanon); Dahdah, L.; Alameddine, I. [Department of Civil and Environmental Engineering, American University of Beirut (Lebanon); Malaeb, L. [Water Desalination and Reuse Research Center, KAUST, Thuwal 23955-6900 (Saudi Arabia)

    2014-09-15

    Graphical abstract: - Highlights: • Study is first to investigate the possibility of transfer of bacteria through vapor. • Bacteria exhibited transfer in the absence of mechanical disturbances in reactors. • Gram positive smaller bacteria transferred more than gram negative larger bacteria. • Transfer probability increases at optimal growth temperature of mesophilic bacteria. • Salinity lowers bacterial survival and has synergistic effect with temperature. - Abstract: Transfer of bacteria through water vapor generated at moderate temperatures (30–50 °C) in passive solar stills, has scarcely been reported. The objective of this research was to investigate whether bacteria in highly humid atmospheres can get transferred through water vapor in the absence of other transfer media to find their way to the distillate. To achieve this objective, passive solar reactors were chosen as the medium for experimentation, and distillation experiments were conducted by spiking a pure bacterial culture (Escherichia coli, Klebsiella pneumonia or Enterococcus faecalis) in low mineralized water vs. highly mineralized water in the dark under moderate temperatures ranges (30–35 °C, 40–45 °C and 50–55 °C). Results showed that bacteria indeed get transferred with the vapor in stills when not exposed to solar U.V. radiation. The trends observed were adequately explained by a zero-modified Hurdle–Poisson model. The numbers of cultivable bacterial colonies transferred were bacterial size, water type and temperature dependent with highest transfers occurring in E. faecalis > E. coli > K. pneumonia at the 40 °C range in low mineralized water. Proper management strategies are recommended to achieve complete disinfection in solar stills.

  3. Spectral mapping of heat transfer mechanisms at liquid-solid interfaces.

    Science.gov (United States)

    Sääskilahti, K; Oksanen, J; Tulkki, J; Volz, S

    2016-05-01

    Thermal transport through liquid-solid interfaces plays an important role in many chemical and biological processes, and better understanding of liquid-solid energy transfer is expected to enable improving the efficiency of thermally driven applications. We determine the spectral distribution of thermal current at liquid-solid interfaces from nonequilibrium molecular dynamics, delivering a detailed picture of the contributions of different vibrational modes to liquid-solid energy transfer. Our results show that surface modes located at the Brillouin zone edge and polarized along the liquid-solid surface normal play a crucial role in liquid-solid energy transfer. Strong liquid-solid adhesion allows also for the coupling of in-plane polarized modes in the solid with the liquid, enhancing the heat-transfer rate and enabling efficient energy transfer up to the cutoff frequency of the solid. Our results provide fundamental understanding of the energy-transfer mechanisms in liquid-solid systems and enable detailed investigations of energy transfer between, e.g., water and organic molecules.

  4. Energy transfer mechanism and probability analysis of submarine pipe laterally impacted by dropped objects

    Science.gov (United States)

    Liang, Jing; Yu, Jian-xing; Yu, Yang; Lam, W.; Zhao, Yi-yu; Duan, Jing-hui

    2016-06-01

    Energy transfer ratio is the basic-factor affecting the level of pipe damage during the impact between dropped object and submarine pipe. For the purpose of studying energy transfer and damage mechanism of submarine pipe impacted by dropped objects, series of experiments are designed and carried out. The effective yield strength is deduced to make the quasi-static analysis more reliable, and the normal distribution of energy transfer ratio caused by lateral impact on pipes is presented by statistic analysis of experimental results based on the effective yield strength, which provides experimental and theoretical basis for the risk analysis of submarine pipe system impacted by dropped objects. Failure strains of pipe material are confirmed by comparing experimental results with finite element simulation. In addition, impact contact area and impact time are proved to be the major influence factors of energy transfer by sensitivity analysis of the finite element simulation.

  5. Plasmon-Induced Resonant Energy Transfer: a coherent dipole-dipole coupling mechanism

    Science.gov (United States)

    Bristow, Alan D.; Cushing, Scott K.; Li, Jiangtian; Wu, Nianqiang

    Metal-insulator-semiconductor core-shell nanoparticles have been used to demonstrate a dipole-dipole coupling mechanism that is entirely dependent on the dephasing time of the localized plasmonic resonance. Consequently, the short-time scale of the plasmons leads to broad energy uncertainty that allows for excitation of charge carriers in the semiconductor via stimulation of photons with energies below the energy band gap. In addition, this coherent energy transfer process overcomes interfacial losses often associated with direct charge transfer. This work explores the efficiency of the energy transfer process, the dipole-dipole coupling strength with dipole separation, shell thickness and plasmonic resonance overlap. We demonstrate limits where the coherent nature of the coupling is switched off and charge transfer processes can dominate. Experiments are performed using transient absorption spectroscopy. Results are compared to calculations using a quantum master equation. These nanostructures show strong potential for improving solar light-harvesting for power and fuel generation.

  6. Another Look at the Mechanisms of Hydride Transfer Enzymes with Quantum and Classical Transition Path Sampling.

    Science.gov (United States)

    Dzierlenga, Michael W; Antoniou, Dimitri; Schwartz, Steven D

    2015-04-02

    The mechanisms involved in enzymatic hydride transfer have been studied for years, but questions remain due, in part, to the difficulty of probing the effects of protein motion and hydrogen tunneling. In this study, we use transition path sampling (TPS) with normal mode centroid molecular dynamics (CMD) to calculate the barrier to hydride transfer in yeast alcohol dehydrogenase (YADH) and human heart lactate dehydrogenase (LDH). Calculation of the work applied to the hydride allowed for observation of the change in barrier height upon inclusion of quantum dynamics. Similar calculations were performed using deuterium as the transferring particle in order to approximate kinetic isotope effects (KIEs). The change in barrier height in YADH is indicative of a zero-point energy (ZPE) contribution and is evidence that catalysis occurs via a protein compression that mediates a near-barrierless hydride transfer. Calculation of the KIE using the difference in barrier height between the hydride and deuteride agreed well with experimental results.

  7. Mechanism and Dynamics of Charge Transfer in Donor-Bridge-Acceptor Systems

    NARCIS (Netherlands)

    Gorczak-Vos, N.

    2016-01-01

    Photoinduced charge transfer in organic materials is a fundamental process in various biological and technological areas. Donor-bridge-acceptor (DBA) molecules are used as model systems in numerous theoretical and experimental work to systematically study and unravel the underlying mechanisms of cha

  8. The Energy Transfer Processes between Carotenoid and Chlorophyll Regulated by Electron Exchange Mechanism

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The energy transfer efficiency between carotenoids and chlorophyll depend on temperature and viscosity of the media. A 3.5 ps process was detected by the pico-second time-resolved spectra and the process was proved to be regulated by electron exchange mechanism.

  9. Cadmium transfer and detoxification mechanisms in a soil-mulberry-silkworm system: phytoremediation potential.

    Science.gov (United States)

    Zhou, Lingyun; Zhao, Ye; Wang, Shuifeng

    2015-11-01

    Phytoremediation has been proven to be an environmentally sound alternative for the recovery of contaminated soils, and the economic profit that comes along with the process might stimulate its field use. This study investigated cadmium (Cd) transfer and detoxification mechanisms in a soil-mulberry-silkworm system to estimate the suitability of the mulberry and silkworm as an alternative method for the remediation of Cd-polluted soil; it also explored the underlying mechanisms regulating the trophic transfer of Cd. The results show that both the mulberry and silkworm have high Cd tolerance. The transfer factor suggests that the mulberry has high potential for Cd extraction from polluted soil. The subcellular distribution and chemical forms of Cd in mulberry leaves show that cell wall deposition and vacuolar compartmentalization play important role in Cd tolerance. In the presence of increasing Cd concentrations in silkworm food, detoxification mechanisms (excretion and homeostasis) were activated so that excess Cd was excreted in fecal balls, and metallothionein levels in the mid-gut, the posterior of the silk gland, and the fat body of silkworms were enhanced. And, the Cd concentrations in silk are at a low level, ranging from 0.02 to 0.21 mg kg(-1). Therefore, these mechanisms of detoxification can regulate Cd trophic transfer, and mulberry planting and silkworm breeding has high phytoremediation potential for Cd-contaminated soil.

  10. Mechanisms for horizontal transfer of methoprene from treated to untreated Tribolium castaneum (Herbst)

    Science.gov (United States)

    Experiments were performed to determine the relative impact of different mechanisms of horizontal transfer of methoprene by Tribolium castaneum (Herbst), the red flour beetle. Insects exposed to 5 methoprene treated developmental stages (late-stage larvae, pupae, or adults) resulted in 100% mortalit...

  11. Energy transfer mechanism for downconversion in the (Pr3+, Yb3+) couple

    NARCIS (Netherlands)

    Van Wijngaarden, J.T.; Scheidelaar, S.; Vlugt, T.J.H.; Reid, M.F.; Meijerink, A.

    2010-01-01

    Downconversion of one visible photon into two infrared photons has been reported for the lanthanide ion couple (Pr3+, Yb3+) in a variety of host lattices. The mechanism responsible for downconversion is controversial and has been reported to be either a two-step energy transfer process (via two firs

  12. Frictional heat transfer regularity of the fluid film in mechanical seals

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The frictional heat transfer regularity in the mechanical seal system consisting of the rotating ring, the stationary ring, the fluid film in the end faces and the sealed medium was investigated. The primary factors affecting the frictional heat transfer regularity, such as the heat transfer coefficients from the rings to the sealed medium, the frictional heat flux, the frictional heat distribution ratio and so on, were discussed. The equations for calculating the temperature field both in the sealing members and in the fluid film were derived. The coupling analysis of the frictional heat of the fluid film and the thermal deformation of the two end faces of the rings was carried out to obtain the separation angle of the two deformed end faces in consideration of the viscosity change of the fluid film. The results indicate that the frictional heat of the fluid film heavily affects its characteristic and the sealing performance of mechanical seals. The frictional heat changes not only the shape of the gap between the end faces but also the viscosity of the fluid film, and thereupon leads to the increase of the leakage rate. The maximum temperature of the system is at the inner radius of the fluid film, and most of the frictional heat is conducted by the rotating ring. Based on the heat transfer analysis method put forward in this paper, the parameterized design of mechanical seals can be realized to determine the best geometrical parameters and to select the appropriate material of the sealing members.

  13. Mechanical energy generation and transfer in the racket arm during table tennis topspin backhands.

    Science.gov (United States)

    Iino, Yoichi; Kojima, Takeji

    2016-06-01

    The ability to generate a high racket speed and a large amount of racket kinetic energy on impact is important for table tennis players. The purpose of this study was to understand how mechanical energy is generated and transferred in the racket arm during table tennis backhands. Ten male advanced right-handed table tennis players hit topspin backhands against pre-impact topspin and backspin balls. The joint kinetics at the shoulder, elbow and wrist of the racket arm was determined using inverse dynamics. A majority of the mechanical energy of the racket arm acquired during forward swing (65 and 77% against topspin and backspin, respectively) was due to energy transfer from the trunk. Energy transfer by the shoulder joint force in the vertical direction was the largest contributor to the mechanical energy of the racket arm against both spins and was greater against backspin than against topspin (34 and 28%, respectively). The shoulder joint force directed to the right, which peaked just before impact, transferred additional energy to the racket. Our results suggest that the upward thrust of the shoulder and the late timing of the axial rotation of the upper trunk are important for an effective topspin backhand.

  14. Structure and mechanism of styrene monooxygenase reductase: new insight into the FAD-transfer reaction.

    Science.gov (United States)

    Morrison, Eliot; Kantz, Auric; Gassner, George T; Sazinsky, Matthew H

    2013-09-03

    The two-component flavoprotein styrene monooxygenase (SMO) from Pseudomonas putida S12 catalyzes the NADH- and FAD-dependent epoxidation of styrene to styrene oxide. In this study, we investigate the mechanism of flavin reduction and transfer from the reductase (SMOB) to the epoxidase (NSMOA) component and report our findings in light of the 2.2 Å crystal structure of SMOB. Upon rapidly mixing with NADH, SMOB forms an NADH → FADox charge-transfer intermediate and catalyzes a hydride-transfer reaction from NADH to FAD, with a rate constant of 49.1 ± 1.4 s(-1), in a step that is coupled to the rapid dissociation of NAD(+). Electrochemical and equilibrium-binding studies indicate that NSMOA binds FADhq ∼13-times more tightly than SMOB, which supports a vectoral transfer of FADhq from the reductase to the epoxidase. After binding to NSMOA, FADhq rapidly reacts with molecular oxygen to form a stable C(4a)-hydroperoxide intermediate. The half-life of apoSMOB generated in the FAD-transfer reaction is increased ∼21-fold, supporting a protein-protein interaction between apoSMOB and the peroxide intermediate of NSMOA. The mechanisms of FAD dissociation and transport from SMOB to NSMOA were probed by monitoring the competitive reduction of cytochrome c in the presence and absence of pyridine nucleotides. On the basis of these studies, we propose a model in which reduced FAD binds to SMOB in equilibrium between an unreactive, sequestered state (S state) and more reactive, transfer state (T state). The dissociation of NAD(+) after the hydride-transfer reaction transiently populates the T state, promoting the transfer of FADhq to NSMOA. The binding of pyridine nucleotides to SMOB-FADhq shifts the FADhq-binding equilibrium from the T state to the S state. Additionally, the 2.2 Å crystal structure of SMOB-FADox reported in this work is discussed in light of the pyridine nucleotide-gated flavin-transfer and electron-transfer reactions.

  15. Design of a 7kw power transfer solar array drive mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Sheppard, J.G.

    1982-05-01

    With the availability of the Shuttle and the European launcher, Ariane, there will be a continuing trend towards large payload satellite missions requiring high-power, high-inertia, flexible solar arrays. The need arises for a solar array drive with a large power transfer capability which can rotate these solar arrays without disturbing the satellite body pointing. The modular design of such a Solar Array Drive Mechanism (SADM) which is capable of transferring 7kW of power or more is described. Total design flexibility has been achieved, enabling different spacecraft power requirements to be accommodated within the SADM design.

  16. Benchmarking Quantum Mechanics/Molecular Mechanics (QM/MM) Methods on the Thymidylate Synthase-Catalyzed Hydride Transfer.

    Science.gov (United States)

    Świderek, Katarzyna; Arafet, Kemel; Kohen, Amnon; Moliner, Vicent

    2017-03-14

    Given the ubiquity of hydride-transfer reactions in enzyme-catalyzed processes, identifying the appropriate computational method for evaluating such biological reactions is crucial to perform theoretical studies of these processes. In this paper, the hydride-transfer step catalyzed by thymidylate synthase (TSase) is studied by examining hybrid quantum mechanics/molecular mechanics (QM/MM) potentials via multiple semiempirical methods and the M06-2X hybrid density functional. Calculations of protium and tritium transfer in these reactions across a range of temperatures allowed calculation of the temperature dependence of kinetic isotope effects (KIE). Dynamics and quantum-tunneling effects are revealed to have little effect on the reaction rate, but are significant in determining the KIEs and their temperature dependence. A good agreement with experiments is found, especially when computed for RM1/MM simulations. The small temperature dependence of quantum tunneling corrections and the quasiclassical contribution term cancel each other, while the recrossing transmission coefficient seems to be temperature-independent over the interval of 5-40 °C.

  17. Mechanism and numerical analysis of heat transfer enhancement in the core flow along a tube

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The present study introduces the principles of enhanced heat transfer in the core flow to form an equivalent thermal boundary layer in the fully developed laminar tube flow, which consequently enlarges the temperature gradient of the fluid near the tube wall, and thereby enhances the heat transfer between the fluid and the tube wall. At the same time, the increase of flow resistance in the tube is not so obvious. Mechanism analysis and numerical calculation based on air and water have been carried out to verify the principle and method presented in this paper, which may bring positive effects to the design of heat exchanger with high heat transfer efficiency and low flow resistance.

  18. [Mechanism of intermolecular energy transfer and reception of ultralow action by chemical and biological systems].

    Science.gov (United States)

    Gall', L N; Gall', N R

    2009-01-01

    A novel concept of intermolecular energy transfer and reception of the ultralow action in living systems is proposed. The concept is based on the methods of nonlinear mathematical physics used in description of energy movement along molecular chains and on quantum mechanical ideas concerning signal formation in anisotropic media. A concept of a molecular cell as an indivisible structural unit and a constituent of a biological (chemical) system has been put forward and substantiated, which manifests collective features of the unity of molecules, physical fields, and energetically strained bound water media in processes of energy transfer and reception. Both intermolecular energy transfer and amplification of the ultralow action has been shown to be the components of a unified energy process in a living system, and the physical basis of both processes is the unity of molecules and water-field media in a molecular cell.

  19. First-principles molecular dynamics study of proton transfer mechanism in bovine cytochrome c oxidase

    Energy Technology Data Exchange (ETDEWEB)

    Kamiya, Katsumasa [Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Boero, Mauro [Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Tateno, Masaru [Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Shiraishi, Kenji [CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Oshiyama, Atsushi [Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan)

    2007-09-12

    Density functional based first-principles molecular dynamics calculations, performed on a model system extracted from the bovine cytochrome c oxidase, have been performed in an attempt to inspect the proton transfer mechanism across a peptide group. Our model system includes the specific Tyr440-Ser441 peptide group involved in a novel proton transfer path and shows that the Y440-S441 enol peptide group [-C(OH) = N-], which is a structural isomer of a keto form [-CO-NH-], is the product of the deprotonation of an imidic acid [-C(OH)-NH-] occurring in the vicinity of the deprotonated aspartic acid residue. For the subsequent enol-to-keto tautomerization, a direct H{sup +} transfer path in the Y440-S441 peptide group has been identified, in which the transition state takes a distorted four-membered ring structure.

  20. Mechanism of electron transfer reaction for xanthene dye-sensitized formation of methyl viologen radical

    Energy Technology Data Exchange (ETDEWEB)

    Usui, Y.; Misawa, H.; Sakuragi, H.; Tokumaru, K.

    1987-05-01

    Sensitized reduction of methyl viologen, MV/sup 2 +/, occurs efficiently through electron transfer from triplet xanthene dyes to MV/sup 2 +/ followed by electron transfer to the resulting semioxidized dyes from a reductant like triethanolamine. Unreactive ion pair complexes between these dyes and MV/sup 2 +/ are formed (formation constant: 1.2 x 10/sup 3/ M/sup -1/ for Eosine Y and MV/sup 2 +/ in 50% aqueous ethanol solution). The quantum yield for the reduced methyl viologen radical depends on the concentrations of MV/sup 2 +/ and the amine and on the ionic strength of solution. The efficiency of the electron transfer from triplet dyes to MV/sup 2 +/ is increased by addition of alcohol, and solvent effects on the reaction mechanism are discussed. 38 references, 5 figures, 2 tables.

  1. TRANSFER

    African Journals Online (AJOL)

    “Chemistry Department, Kenyatta University, P. 0. Box 43844 ... harvester (X) [L 2] in a manner consistent with the following Forster equation for long range energy transfer [3-7]. .... sensitive foods, chemical reactors and essences. Recently we ...

  2. Negative Resistance Effect and Charge Transfer Mechanisms in the lon Beam Deposited Diamond Like Carbon Superlattices

    Directory of Open Access Journals (Sweden)

    Andrius VASILIAUSKAS

    2011-03-01

    Full Text Available In the present study DLC:SiOx/DLC/DLC:SiOx/nSi and DLC:SiOx/DLC/DLC:SiOx/pSi structures were fabricated by ion beam deposition using a closed drift ion source. Current-voltage (I-V characteristics of the multilayer samples were measured at room temperature. The main charge transfer mechanisms were considered. Unstable negative resistance effect was observed for some DLC:SiOx/DLC/DLC:SiOx/nSi and DLC:SiOx/DLC/DLC:SiOx/pSi structures. In the case of the diamond like carbon superlattices fabricated on nSi it was observed only during the first measurement. In the case of the some DLC:SiOx/DLC/DLC:SiOx/pSi negative resistance "withstood" several measurements. Changes of the charge carrier mechanisms were observed along with the dissapear of the negative resistance peaks. It seems, that in such a case influence of the bulk related charge transfer mechanisms such as Poole-Frenkel emission increased, while the influence of the contact limited charge transfer mechanisms such as Schottky emission decreased. Observed results were be explained by current flow through the local microconducting channels and subsequent destruction of the localized current pathways as a result of the heating by flowing electric current.http://dx.doi.org/10.5755/j01.ms.17.1.240

  3. Mechanical Properties of Water-Assembled Graphene Oxide Langmuir Monolayers: Guiding Controlled Transfer.

    Science.gov (United States)

    Harrison, Katharine L; Biedermann, Laura B; Zavadil, Kevin R

    2015-09-15

    Liquid-phase transfer of graphene oxide (GO) and reduced graphene oxide (RGO) monolayers is investigated from the perspective of the mechanical properties of these films. Monolayers are assembled in a Langmuir-Blodgett trough, and oscillatory barrier measurements are used to characterize the resulting compressive and shear moduli as a function of surface pressure. GO monolayers are shown to develop a significant shear modulus (10-25 mN/m) at relevant surface pressures while RGO monolayers do not. The existence of a shear modulus indicates that GO is acting as a two-dimensional solid driven by strong interaction between the individual GO sheets. The absence of such behavior in RGO is attributed to the decrease in oxygen moieties on the sheet basal plane, permitting RGO sheets to slide across one another with minimum energy dissipation. Knowledge of this two-dimensional solid behavior is exploited to successfully transfer large-area, continuous GO films to hydrophobic Au substrates. The key to successful transfer is the use of shallow-angle dipping designed to minimize tensile stress present during the insertion or extraction of the substrate. A shallow dip angle on hydrophobic Au does not impart a beneficial effect for RGO monolayers, as these monolayers do not behave as two-dimensional solids and do not remain coherent during the transfer process. We hypothesize that this observed correlation between monolayer mechanical properties and continuous film transfer success is more universally applicable across substrate hydrophobicities and could be exploited to control the transfer of films composed of two-dimensional materials.

  4. Syntrophic growth with direct interspecies electron transfer as the primary mechanism for energy exchange.

    Science.gov (United States)

    Shrestha, Pravin Malla; Rotaru, Amelia-Elena; Aklujkar, Muktak; Liu, Fanghua; Shrestha, Minita; Summers, Zarath M; Malvankar, Nikhil; Flores, Dan Carlo; Lovley, Derek R

    2013-12-01

    Direct interspecies electron transfer (DIET) through biological electrical connections is an alternative to interspecies H2 transfer as a mechanism for electron exchange in syntrophic cultures. However, it has not previously been determined whether electrons received via DIET yield energy to support cell growth. In order to investigate this, co-cultures of Geobacter metallireducens, which can transfer electrons to wild-type G. sulfurreducens via DIET, were established with a citrate synthase-deficient G. sulfurreducens strain that can receive electrons for respiration through DIET only. In a medium with ethanol as the electron donor and fumarate as the electron acceptor, co-cultures with the citrate synthase-deficient G. sulfurreducens strain metabolized ethanol as fast as co-cultures with wild-type, but the acetate that G. metallireducens generated from ethanol oxidation accumulated. The lack of acetate metabolism resulted in less fumarate reduction and lower cell abundance of G. sulfurreducens. RNAseq analysis of transcript abundance was consistent with a lack of acetate metabolism in G. sulfurreducens and revealed gene expression levels for the uptake hydrogenase, formate dehydrogenase, the pilus-associated c-type cytochrome OmcS and pili consistent with electron transfer via DIET. These results suggest that electrons transferred via DIET can serve as the sole energy source to support anaerobic respiration. © 2013 John Wiley & Sons Ltd and Society for Applied Microbiology.

  5. Review on charge transfer and chemical activity of TiO2: Mechanism and applications

    Science.gov (United States)

    Cai, Yongqing; Feng, Yuan Ping

    2016-12-01

    Charge separation and transfer at the interface between two materials play a significant role in various atomic-scale processes and energy conversion systems. In this review, we present the mechanism and outcome of charge transfer in TiO2, which is extensively explored for photocatalytic applications in the field of environmental science. We list several experimental and computational methods to estimate the amount of charge transfer. The effects of the work function, defects and doping, and employment of external electric field on modulating the charge transfer are presented. The interplay between the band bending and carrier transport across the surface and interface consisting of TiO2 is discussed. We show that the charge transfer can also strongly affect the behavior of deposited nanoparticles on TiO2 through built-in electric field that it creates. This review encompasses several advances of composite materials where TiO2 is combined with two-dimensional materials like graphene, MoS2, phosphorene, etc. The charge transport in the TiO2-organohalide perovskite with respect to the electron-hole separation at the interface is also discussed.

  6. Theoretical study of the mechanism of proton transfer in tautomeric systems: Alloxan

    Indian Academy of Sciences (India)

    Rita Kakkar; Bhupendra K Sarma; Vandana katoch

    2001-08-01

    Semiempirical SCF-MO studies of tautomerism in alloxan preclude the possibility of direct proton transfer in the gas phase due to the strain in the four-centred transition state, in which the proton being transferred is forced to come close to the positively charged carbon atom at the opposite corner of the four-membered ring. However, in aqueous solution, the activation barrier reduces appreciably, not only due to reduction in strain, but also due to charge separation in the transition state, which is stabilized due to ionic resonance. The N-H bond is almost broken, while the O-H bond is only partially formed in the transition state. The other stabilizing effect in aqueous solution is due to bulk solvent dielectric effects, which stabilize the transition state to a greater extent due to its higher dipole moment. Although the transition states for proton transfer to the neighbouring oxygen atoms on either side have comparable energies, as the mechanisms of proton transfer leading to the formation of the 2-hydroxy and 4-hydroxy tautomers are similar, bulk solvent effects are larger in the latter due to the higher dipole moment of the transition state. The reason is the almost complete separation of the two entities, i.e. the alloxan anion and the hydronium ion in the latter case, indicating that in this case a dissociative mechanism of the kind encountered in acid-base equilibria is operating.

  7. Ground-state charge transfer as a mechanism for surface-enhanced Raman scattering

    Science.gov (United States)

    Lippitsch, Max E.

    1984-03-01

    A model is presented for the contribution of ground-state charge transfer between a metal and adsorbate to surface-enhanced Raman scattering (SERS). It is shown that this contribution can be understood using the vibronic theory for calculating Raman intensities. The enhancement is due to vibronic coupling of the molecular ground state to the metal states, the coupling mechanism being a modulation of the ground-state charge-transfer energy by the molecular vibrations. An analysis of the coupling operator gives the selection rules for this process, which turn out to be dependent on the overall symmetry of the adsorbate-metal system, even if the charge transfer is small enough for the symmetry of the adsorbate to remain the same as that of the free molecule. It is shown that the model can yield predictions on the properties of SERS, e.g., specificity to adsorption geometry, appearance of forbidden bands, dependence on the applied potential, and dependence on the excitation wavelength. The predictions are in good agreement with experimental results. It is also deduced from this model that in many cases atomic-scale roughness is a prerequisite for the observation of SERS. A result on the magnitude of the enhancement can only be given in a crude approximation. Although in most cases an additional electromagnetic enhancement seems to be necessary to give an observable signal, this charge-transfer mechanism should be important in many SERS systems.

  8. First half-reaction mechanism of nitric oxide synthase: the role of proton and oxygen coupled electron transfer in the reaction by quantum mechanics/molecular mechanics.

    Science.gov (United States)

    Cho, Kyung-Bin; Carvajal, Maria Angels; Shaik, Sason

    2009-01-08

    The first half-reaction of nitric oxide synthase (NOS) is investigated by means of quantum mechanical/molecular mechanical (QM/MM) calculations. An energetically feasible arginine hydroxylation path was found only when the iron-oxy complex accepted one proton from an external source. The so formed species has not been considered in heme chemistry; it is described as Por(+*)Fe(III)-OOH and is characterized by the same molecular constituency as the more known ferric-hydroperoxide species, compound 0, but has a cation-radical porphyrin moiety. The reaction itself is found to involve proton coupled electron transfer (PCET) and oxygen coupled electron transfer (OCET) steps en route to the formation of compound I and the ultimate monooxygenation of arginine. The cofactor H(4)B turns out to be a key player in the mechanism acting alternatively as an electron donor (when neutral) and an electron sink (when in its radical-cation state) and, thereby, providing the electron transfer component in the various coupled proton and oxygen transfer steps (see Scheme 4 ). The various pieces of this mechanism account for many of the experimental observations, such as the following: (a) the origins of the second proton supplied to the heme, (b) the elusiveness of compound I, (c) the inactivity of peroxide-shunt pathways in NOS first half-reaction, (d) the inhibition of the H(4)B analogue 4-amino-H(4)B due to protonation at the N3 position, (e) the roles of Trp188 (iNOS numbering) and the crystal water at the active site (W115), and so on. Alternative mechanistic hypotheses are tested and excluded, and a new mechanism for the NOS second half-reaction is proposed.

  9. Thermo-mechanical toner transfer for high-quality digital image correlation speckle patterns

    Science.gov (United States)

    Mazzoleni, Paolo; Zappa, Emanuele; Matta, Fabio; Sutton, Michael A.

    2015-12-01

    The accuracy and spatial resolution of full-field deformation measurements performed through digital image correlation are greatly affected by the frequency content of the speckle pattern, which can be effectively controlled using particles with well-defined and consistent shape, size and spacing. This paper introduces a novel toner-transfer technique to impress a well-defined and repeatable speckle pattern on plane and curved surfaces of metallic and cement composite specimens. The speckle pattern is numerically designed, printed on paper using a standard laser printer, and transferred onto the measurement surface via a thermo-mechanical process. The tuning procedure to compensate for the difference between designed and toner-transferred actual speckle size is presented. Based on this evidence, the applicability of the technique is discussed with respect to surface material, dimensions and geometry. Proof of concept of the proposed toner-transfer technique is then demonstrated for the case of a quenched and partitioned welded steel plate subjected to uniaxial tensile loading, and for an aluminum plate exposed to temperatures up to 70% of the melting point of aluminum and past the melting point of typical printer toner powder.

  10. Mechanism of electron transfer reaction of ternary dipicolinatochromium(III) complex involving oxalate as secondary ligand

    Indian Academy of Sciences (India)

    Hassan Amroun Ewais; Iqbal Mohamed Ibrhium Ismail

    2013-09-01

    Mechanism of electron transfer reaction of ternary Mechanism of the oxidation of [CrIII(DPA)(OX)(H2O)]− (DPA = dipicolinate and OX = oxalate) by periodate in aqueous acidic medium has been studied spectrophotometrically over the pH range of 4.45-5.57 at different temperatures. The reaction is first order with respect to both [IO$^{−}_{4}$] and the complex concentration, and it obeys the following rate law: $$d[{\\text Cr}^{\\text{VI}}]/dt = k_6K_4K_6[{\\text IO}^−_4][{\\text{Cr}}^{\\text{III}}]_{\\text{T}}/\\{([H^+] + K_4) + (K_5[H+] + K_6K_4)[{\\text{IO}}^{−}_{4}]\\}.$$ The rate of the reaction increases with increasing pH due to the deprotonation equilibria of the complex. The experimental rate law is consistent with a mechanism in which the deprotonated form [CrIII(DPA)(OX)(OH)]2− is more reactive than the conjugated acid. It is proposed that electron transfer proceeds through an inner-sphere mechanism via coordination of IO$^{−}_{4}$ to chromium(III). Thermodynamic activation parameters were calculated using the transition state theory equation.dipicolinatochromium(III) complex involving oxalate as secondary ligand

  11. Proton-coupled electron transfer dynamics in the catalytic mechanism of a [NiFe]-hydrogenase.

    Science.gov (United States)

    Greene, Brandon L; Wu, Chang-Hao; McTernan, Patrick M; Adams, Michael W W; Dyer, R Brian

    2015-04-08

    The movement of protons and electrons is common to the synthesis of all chemical fuels such as H2. Hydrogenases, which catalyze the reversible reduction of protons, necessitate transport and reactivity between protons and electrons, but a detailed mechanism has thus far been elusive. Here, we use a phototriggered chemical potential jump method to rapidly initiate the proton reduction activity of a [NiFe] hydrogenase. Coupling the photochemical initiation approach to nanosecond transient infrared and visible absorbance spectroscopy afforded direct observation of interfacial electron transfer and active site chemistry. Tuning of intramolecular proton transport by pH and isotopic substitution revealed distinct concerted and stepwise proton-coupled electron transfer mechanisms in catalysis. The observed heterogeneity in the two sequential proton-associated reduction processes suggests a highly engineered protein environment modulating catalysis and implicates three new reaction intermediates; Nia-I, Nia-D, and Nia-SR(-). The results establish an elementary mechanistic understanding of catalysis in a [NiFe] hydrogenase with implications in enzymatic proton-coupled electron transfer and biomimetic catalyst design.

  12. Mechanisms for the Direct Electron Transfer of Cytochrome c Induced by Multi-Walled Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    Qin-Zheng Yang

    2012-08-01

    Full Text Available Multi-walled carbon nanotube (MWCNT-modified electrodes can promote the direct electron transfer (DET of cytochrome c (Cyt c. There are several possible mechanisms that explain the DET of Cyt c. In this study, several experimental methods, including Fourier transform infrared spectroscopy, circular dichroism, ultraviolet-visible absorption spectroscopy, and electron paramagnetic resonance spectroscopy were utilized to investigate the conformational changes of Cyt c induced by MWCNTs. The DET mechanism was demonstrated at various nano-levels: secondary structure, spatial orientation, and spin state. In the presence of MWCNTs, the secondary structure of Cyt c changes, which exposes the active site, then, the orientation of the heme is optimized, revolving the exposed active center to the optimum spatial orientation for DET; and finally, a transition of spin states is induced, providing relatively high energy and a more open microenvironment for electron transfer. These changes at different nano-levels are closely connected and form a complex process that promotes the electron transfer of Cyt c.

  13. A novel mechanism of bacterial toxin transfer within host blood cell-derived microvesicles.

    Science.gov (United States)

    Ståhl, Anne-lie; Arvidsson, Ida; Johansson, Karl E; Chromek, Milan; Rebetz, Johan; Loos, Sebastian; Kristoffersson, Ann-Charlotte; Békássy, Zivile D; Mörgelin, Matthias; Karpman, Diana

    2015-02-01

    Shiga toxin (Stx) is the main virulence factor of enterohemorrhagic Escherichia coli, which are non-invasive strains that can lead to hemolytic uremic syndrome (HUS), associated with renal failure and death. Although bacteremia does not occur, bacterial virulence factors gain access to the circulation and are thereafter presumed to cause target organ damage. Stx was previously shown to circulate bound to blood cells but the mechanism by which it would potentially transfer to target organ cells has not been elucidated. Here we show that blood cell-derived microvesicles, shed during HUS, contain Stx and are found within patient renal cortical cells. The finding was reproduced in mice infected with Stx-producing Escherichia coli exhibiting Stx-containing blood cell-derived microvesicles in the circulation that reached the kidney where they were transferred into glomerular and peritubular capillary endothelial cells and further through their basement membranes followed by podocytes and tubular epithelial cells, respectively. In vitro studies demonstrated that blood cell-derived microvesicles containing Stx undergo endocytosis in glomerular endothelial cells leading to cell death secondary to inhibited protein synthesis. This study demonstrates a novel virulence mechanism whereby bacterial toxin is transferred within host blood cell-derived microvesicles in which it may evade the host immune system.

  14. A novel mechanism of bacterial toxin transfer within host blood cell-derived microvesicles.

    Directory of Open Access Journals (Sweden)

    Anne-lie Ståhl

    2015-02-01

    Full Text Available Shiga toxin (Stx is the main virulence factor of enterohemorrhagic Escherichia coli, which are non-invasive strains that can lead to hemolytic uremic syndrome (HUS, associated with renal failure and death. Although bacteremia does not occur, bacterial virulence factors gain access to the circulation and are thereafter presumed to cause target organ damage. Stx was previously shown to circulate bound to blood cells but the mechanism by which it would potentially transfer to target organ cells has not been elucidated. Here we show that blood cell-derived microvesicles, shed during HUS, contain Stx and are found within patient renal cortical cells. The finding was reproduced in mice infected with Stx-producing Escherichia coli exhibiting Stx-containing blood cell-derived microvesicles in the circulation that reached the kidney where they were transferred into glomerular and peritubular capillary endothelial cells and further through their basement membranes followed by podocytes and tubular epithelial cells, respectively. In vitro studies demonstrated that blood cell-derived microvesicles containing Stx undergo endocytosis in glomerular endothelial cells leading to cell death secondary to inhibited protein synthesis. This study demonstrates a novel virulence mechanism whereby bacterial toxin is transferred within host blood cell-derived microvesicles in which it may evade the host immune system.

  15. Peroxidase-catalyzed S-oxygenation: Mechanism of oxygen transfer for lactoperoxidase

    Energy Technology Data Exchange (ETDEWEB)

    Doerge, D.R.; Cooray, N.M. (Univ. of Hawaii, Honolulu (United States)); Brewster, M.E. (Pharmatec Inc., Alachua, FL (United States))

    1991-09-17

    The mechanism of organosulfur oxygenation by peroxidases (lactoperoxidase (LPX), chloroperoxidase, thyroid peroxidase, and horseradish peroxidase) and hydrogen peroxide was investigated by use of para-substituted thiobenzamides and thioanisoles. The rate constants for thiobenzamide oxygenation by LPX/H{sub 2}O{sub 2} were found to correlate with calculated vertical ionization potentials, suggesting rate-limiting single-electron transfer between LPX compound I and the organosulfur substrate. The incorporation of oxygen from {sup 18}O-labeled hydrogen peroxide, water, and molecular oxygen into sulfoxides during peroxidase-catalyzed S-oxygenation reactions was determined by LC- and GC-MS. All peroxidases tested catalyzed essentially quantitative oxygen transfer from {sup 18}O-labeled hydrogen peroxide into thiobenzamide S-oxide, suggesting that oxygen rebound from the oxoferryl heme is tightly coupled with the initial electron transfer in the active site. Experiments using H{sub 2}{sup 18}O{sub 2}, and H{sub 2}{sup 18}O showed the LPX catalyzed approximately 85,22, and 0% {sup 18}O-incorporation into thioanisole sulfoxide oxygen, respectively. These results are consistent with an active site controlled mechanism in which the protein radical form of LPX compound I is an intermediate in LPX-mediated sulfoxidation reactions.

  16. Interface transferring mechanism and error modification of embedded FBG strain sensors

    Institute of Scientific and Technical Information of China (English)

    ZHOU Zhi; LI Jilong; OU Jinping

    2007-01-01

    As the strain sensing element of a structural health monitoring,the study and the application of the fibre-optic bragg grating(FBG)have been widely accepted.The accuracy of the FBG sensor is highly dependent on the phyrsical and the mechanical properties of the strain interface transferring characteristics among the layers of bare optical fibre,protective coating,adhesive layer and host material.In this paper,firstly,the general expression of the multilayer interface strain transferring mechanism is derived.Secondly,based on the defined average strain,the error-modified equation of the FBG sensor is obtained.Finally,in the light of the embedded tube-packaged FBG and the fibre reinforced polymer-optical fibre bragg grating(FRP-OFBG)strain sensors.developed in the Harbin Institute of Technology (HIT),the corresponding strain transferring laws have been studied,and the corresponding error modification coefficients have also been given,which are validated by experiments.The research results provide theories for the development and application of the embedded FBG sensors.

  17. The role of several heat transfer mechanisms on the enhancement of thermal conductivity in nanofluids

    Science.gov (United States)

    Machrafi, H.; Lebon, G.

    2016-09-01

    A modelling of the thermal conductivity of nanofluids based on extended irreversible thermodynamics is proposed with emphasis on the role of several coupled heat transfer mechanisms: liquid interfacial layering between nanoparticles and base fluid, particles agglomeration and Brownian motion. The relative importance of each specific mechanism on the enhancement of the effective thermal conductivity is examined. It is shown that the size of the nanoparticles and the liquid boundary layer around the particles play a determining role. For nanoparticles close to molecular range, the Brownian effect is important. At nanoparticles of the order of 1-100 nm, both agglomeration and liquid layering are influent. Agglomeration becomes the most important mechanism at nanoparticle sizes of the order of 100 nm and higher. The theoretical considerations are illustrated by three case studies: suspensions of alumina rigid spherical nanoparticles in water, ethylene glycol and a 50/50w% water/ethylene glycol mixture, respectively, good agreement with experimental data is observed.

  18. Transfer and temporary storage of mechanical energy through rotary movement; Uebertragung und voruebergehende Speicherung mechanischer Energie mithilfe der Drehbewegung

    Energy Technology Data Exchange (ETDEWEB)

    Hamerak, Kurt

    2012-07-01

    One of the most important form of mechanical energy is the rotational energy. By means of this rotational energy, mechanical energy is transferred from the actuating driving motor to the driven machine. Under this aspect, the author of the contribution under consideration reports on the transfer of mechanical energy by means of rotary motion. The author describes the circular movement, rotational energy of a rigid body, angular momentum, performance and angular momentum of an asynchronous motor, transfer of rotational energy through a shaft, gear as a transformer for the rotational energy, Coriolis effect.

  19. Study of energy transfer mechanism from ZnO nanocrystals to Eu(3+) ions.

    Science.gov (United States)

    Mangalam, Vivek; Pita, Kantisara; Couteau, Christophe

    2016-12-01

    In this work, we investigate the efficient energy transfer occurring between ZnO nanocrystals (ZnO-nc) and europium (Eu(3+)) ions embedded in a SiO2 matrix prepared using the sol-gel technique. We show that a strong red emission was observed at 614 nm when the ZnO-nc were excited using a continuous optical excitation at 325 nm. This emission is due to the radiative (5)D0 → (7)F2 de-excitation of the Eu(3+) ions and has been conclusively shown to be due to the energy transfer from the excited ZnO-nc to the Eu(3+) ions. The photoluminescence excitation spectra are also examined in this work to confirm the energy transfer from ZnO-nc to the Eu(3+) ions. Furthermore, we study various de-excitation processes from the excited ZnO-nc and their contribution to the energy transfer to Eu(3+) ions. We also report the optimum fabrication process for maximum red emission at 614 nm from the samples where we show a strong dependence on the annealing temperature and the Eu(3+) concentration in the sample. The maximum red emission is observed with 12 mol% Eu(3+) annealed at 450 °C. This work provides a better understanding of the energy transfer mechanism from ZnO-nc to Eu(3+) ions and is important for applications in photonics, especially for light emitting devices.

  20. Mechanisms involved in the selective transfer of long chain polyunsaturted fatty acids to the fetus

    Directory of Open Access Journals (Sweden)

    Alfonso eGil-Sánchez

    2011-09-01

    Full Text Available The concentration of long chain polyunsaturated fatty acid (LCPUFA in the fetal brain increases dramatically from the third trimester until 18 months of life. Several studies have shown an association between the percentage of maternal plasma docosahexaenoic acid (DHA during gestation and development of the cognitive functions in the neonate. Since only very low levels of LCPUFA are synthesized in the fetus and placenta, their primary source for the fetus is that of maternal origin. Both in vitro and human in vivo studies using labelled fatty acids have shown the preferential transfer of LCPUFA from the placenta to the fetus compared with other fatty acids, although the mechanisms involved are still uncertain. The placenta takes up circulating maternal non-esterified fatty acids (NEFA and fatty acids released mainly by maternal lipoprotein lipase and endothelial lipase. These NEFA may enter the cell by passive diffusion or by means of membrane carrier proteins. Once in the cytosol, NEFA bind to cytosolic fatty acid-binding proteins for transfer to the fetal circulation or can be oxidized within the trophoblasts and even re-esterified and stored in lipid droplets (LD. Although trophoblast cells are not specialized in lipid storage, LCPUFA may up-regulate peroxisome proliferator activated receptor-γ (PPARγ and hence the gene expression of fatty acid transport carriers, fatty acid acyl-CoA synthetases and adipophilin or other enzymes related with lipolysis, modifying their rate of placental transfer and metabolization. The placental transfer of LCPUFA during pregnancy seems to be a key factor in the neurological development of the fetus. Increased knowledge on the factors that modify placental transfer of fatty acids would contribute to our understanding of this complex process.

  1. Horizontal gene transfer (HGT) as a mechanism of disseminating RDX-degrading activity among Actinomycete bacteria.

    Science.gov (United States)

    Jung, C M; Crocker, F H; Eberly, J O; Indest, K J

    2011-06-01

    Hexahydro-1,3,5-trinitro-1,3,5,-triazine (RDX) is a cyclic nitramine explosive that is a major component in many high-explosive formulations and has been found as a contaminant of soil and groundwater. The RDX-degrading gene locus xplAB, located on pGKT2 in Gordonia sp. KTR9, is highly conserved among isolates from disparate geographical locations suggesting a horizontal gene transfer (HGT) event. It was our goal to determine whether Gordonia sp. KTR9 is capable of transferring pGKT2 and the associated RDX degradation ability to other bacteria. We demonstrate the successful conjugal transfer of pGKT2 from Gordonia sp. KTR9 to Gordonia polyisoprenivorans, Rhodococcus jostii RHA1 and Nocardia sp. TW2. Through growth and RDX degradation studies, it was demonstrated that pGKT2 conferred to transconjugants the ability to degrade and utilize RDX as a nitrogen source. The inhibitory effect of exogenous inorganic nitrogen sources on RDX degradation in transconjugant strains was found to be strain specific. Plasmid pGKT2 can be transferred by conjugation, along with the ability to degrade RDX, to related bacteria, providing evidence of at least one mechanism for the dissemination and persistence of xplAB in the environment. These results provide evidence of one mechanism for the environmental dissemination of xplAB and provide a framework for future field relevant bioremediation practices. Journal of Applied Microbiology © 2011 The Society for Applied Microbiology. No claim to US Government works.

  2. Conserved phosphoryl transfer mechanisms within kinase families and the role of the C8 proton of ATP in the activation of phosphoryl transfer

    Directory of Open Access Journals (Sweden)

    Kenyon Colin P

    2012-03-01

    Full Text Available Abstract Background The kinome is made up of a large number of functionally diverse enzymes, with the classification indicating very little about the extent of the conserved kinetic mechanisms associated with phosphoryl transfer. It has been demonstrated that C8-H of ATP plays a critical role in the activity of a range of kinase and synthetase enzymes. Results A number of conserved mechanisms within the prescribed kinase fold families have been identified directly utilizing the C8-H of ATP in the initiation of phosphoryl transfer. These mechanisms are based on structurally conserved amino acid residues that are within hydrogen bonding distance of a co-crystallized nucleotide. On the basis of these conserved mechanisms, the role of the nucleotide C8-H in initiating the formation of a pentavalent intermediate between the γ-phosphate of the ATP and the substrate nucleophile is defined. All reactions can be clustered into two mechanisms by which the C8-H is induced to be labile via the coordination of a backbone carbonyl to C6-NH2 of the adenyl moiety, namely a "push" mechanism, and a "pull" mechanism, based on the protonation of N7. Associated with the "push" mechanism and "pull" mechanisms are a series of proton transfer cascades, initiated from C8-H, via the tri-phosphate backbone, culminating in the formation of the pentavalent transition state between the γ-phosphate of the ATP and the substrate nucleophile. Conclusions The "push" mechanism and a "pull" mechanism are responsible for inducing the C8-H of adenyl moiety to become more labile. These mechanisms and the associated proton transfer cascades achieve the proton transfer via different family-specific conserved sets of amino acids. Each of these mechanisms would allow for the regulation of the rate of formation of the pentavalent intermediate between the ATP and the substrate nucleophile. Phosphoryl transfer within kinases is therefore a specific event mediated and regulated via the

  3. The role of electrostatics in TrxR electron transfer mechanism: A computational approach.

    Science.gov (United States)

    Teixeira, Vitor H; Capacho, Ana Sofia C; Machuqueiro, Miguel

    2016-12-01

    Thioredoxin reductase (TrxR) is an important enzyme in the control of the intracellular reduced redox environment. It transfers electrons from NADPH to several molecules, including its natural partner, thioredoxin. Although there is a generally accepted model describing how the electrons are transferred along TrxR, which involves a flexible arm working as a "shuttle," the molecular details of such mechanism are not completely understood. In this work, we use molecular dynamics simulations with Poisson-Boltzmann/Monte Carlo pKa calculations to investigate the role of electrostatics in the electron transfer mechanism. We observed that the combination of redox/protonation states of the N-terminal (FAD and Cys59/64) and C-terminal (Cys497/Selenocysteine498) redox centers defines the preferred relative positions and allows for the flexible arm to work as the desired "shuttle." Changing the redox/ionization states of those key players, leads to electrostatic triggers pushing the arm into the pocket when oxidized, and pulling it out, once it has been reduced. The calculated pKa values for Cys497 and Selenocysteine498 are 9.7 and 5.8, respectively, confirming that the selenocysteine is indeed deprotonated at physiological pH. This can be an important advantage in terms of reactivity (thiolate/selenolate are more nucleophilic than thiol/selenol) and ability to work as an electrostatic trigger (the "shuttle" mechanism) and may be the reason why TrxR uses selenium instead of sulfur. Proteins 2016; 84:1836-1843. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  4. The Effectiveness of a Fiscal Transfer Mechanism in a Monetary Union : A DSGE Model for the Euro Area

    NARCIS (Netherlands)

    Verstegen, Loes; Meijdam, Lex

    2016-01-01

    In this paper, we incorporate a transfer mechanism into a DSGE model with a rich fiscal sector to assess the effectiveness of fiscal transfers for a monetary union, in particular for the Economic and Monetary Union. Using a heterogeneous setup, the model is estimated for the North and the South of E

  5. Probing Electron Transfer Mechanisms in Shewanella oneidensis MR-1 using a Nanoelectrode Platform and Single-Cell Imaging

    Science.gov (United States)

    2010-01-01

    nanowires The capability of bacteria, such as Shewanella and Geobacter ,to transfer electrons from metabolism of organic sources to electrodes without...filamentous pili growth from Shewanella and Geobacter cells report a third mechanism for extracellular electron transfer through biological nanowires (12

  6. The Effectiveness of a Fiscal Transfer Mechanism in a Monetary Union : A DSGE Model for the Euro Area

    NARCIS (Netherlands)

    Verstegen, Loes; Meijdam, Lex

    2016-01-01

    In this paper, we incorporate a transfer mechanism into a DSGE model with a rich fiscal sector to assess the effectiveness of fiscal transfers for a monetary union, in particular for the Economic and Monetary Union. Using a heterogeneous setup, the model is estimated for the North and the South of

  7. The Effectiveness of a Fiscal Transfer Mechanism in a Monetary Union : A DSGE Model for the Euro Area

    NARCIS (Netherlands)

    Verstegen, Loes; Meijdam, Lex

    2016-01-01

    In this paper, we incorporate a transfer mechanism into a DSGE model with a rich fiscal sector to assess the effectiveness of fiscal transfers for a monetary union, in particular for the Economic and Monetary Union. Using a heterogeneous setup, the model is estimated for the North and the South of E

  8. Analysis of nonstationarity in renal autoregulation mechanisms using time-varying transfer and coherence functions

    DEFF Research Database (Denmark)

    Chon, Ki H; Zhong, Yuru; Moore, Leon C;

    2008-01-01

    The extent to which renal blood flow dynamics vary in time and whether such variation contributes substantively to dynamic complexity have emerged as important questions. Data from Sprague-Dawley rats (SDR) and spontaneously hypertensive rats (SHR) were analyzed by time-varying transfer functions...... (TVTF) and time-varying coherence functions (TVCF). Both TVTF and TVCF allow quantification of nonstationarity in the frequency ranges associated with the autoregulatory mechanisms. TVTF analysis shows that autoregulatory gain in SDR and SHR varies in time and that SHR exhibit significantly more...

  9. Efficient Charge Transfer Mechanism in Polyfluorene/ZnO Nanocomposite Thin Films

    OpenAIRE

    Bandar Ali Al-Asbahi; Mohammad Hafizuddin Haji Jumali; Rashad Al-Gaashani

    2014-01-01

    The optical properties and charge transfer mechanism of poly (9,9′-di-n-octylfluorenyl-2.7-diyl) (PFO)/ZnO thin films have been investigated. The ZnO nanorods (NRs) were prepared via a microwave technique. The solution blending method was used to prepare the PFO/ZnO nanocomposites. X-ray diffraction (XRD) and field emission scanning electron microscope (FE-SEM) were used to determine the structural properties, while UV-Vis and photoluminescence (PL) were employed to investigate the optical p...

  10. Globalism of commutation relation and mechanism of momentum transfer in the Aharonov-Bohm effect

    Science.gov (United States)

    Li, Chun-Fang

    1997-09-01

    After examining the domain of an operator that has classical analog, which is shown to be the whole spatial space, the concept of globalism of a commutation relation is introduced through analyzing the quantization of the kinetic angular momentum in the Aharonov-Bohm effect. Its applications are also given to explain in an elegant and precise way, the mechanism of momentum transfer in the Aharonov-Bohm scattering and to study the probability distribution of the momentum for a particle in a one-dimensional infinitely deep square potential well.

  11. Studies on photooxidation (VIII)——Electron transfer photooxygenation mechanism of acenaphthenone as electron donor

    Institute of Scientific and Technical Information of China (English)

    吴树屏; 刘继峰; 江致勤

    1996-01-01

    The photooxidation and its electron transfer (ET) mechanism of acenaphthenone (ANO) sensitized by 9,10-dicyanoanthracence (DCA) are investigated. It has been found that the reaction with a stepwise manner led to the formation of 1,8- (3’-hydroxy)-β-naphthalene lactone and 1,8-naphthalenedicarboxylic anhydride. By cyclic voltammetry, fluorescence quenching, exciplex emission, co-sensitbation of biphenyl/DCA as well as CIDNP studies, it is verified that ANO can behave as an electron donor to undergo ET reaction with singlet DCA which is a thermodynamically-favored process.

  12. Field Simulations and Mechanical Implementation of Electrostatic Elements for the ELENA Transfer Lines

    CERN Document Server

    Barna, D; Borburgh, J; Carli, C; Vanbavinckhove, G

    2014-01-01

    The Antiproton Decelerator (AD) complex at CERN will be extended by an extra low energy anti-proton ring (ELENA) [1] further decelerating the anti-protons thus improving their trapping. The kinetic energy of 100 keV at ELENA extraction facilitates the use of electrostatic transfer lines to the experiments. The mechanical implementation of the electrostatic devices are presented with focus on their alignment, bakeout compatibility, ultra-high vacuum compatibility and polarity switching. Field optimisations for an electrostatic crossing device of three beam lines are shown.

  13. Influence of different factors on momentum transfer in mechanically agitated multiphase systems

    Directory of Open Access Journals (Sweden)

    Cudak Magdalena

    2016-03-01

    Full Text Available A comparative analysis concerning the influence of different factors on momentum transfer in mechanically agitated systems was carried out on the basis of experimental results for solid-liquid, gas-liquid and gas-solid-liquid systems. The effects of the impeller - baffles system geometry, scale of the agitated vessel, type and number of impellers and their off-bottom clearance, as well as physical properties of the multiphase systems on the critical impeller speeds needed to produce suspension or dispersion, power consumption and gas hold-up were analysed and evaluated.

  14. Conceptual design of two-phase fluid mechanics and heat transfer facility for spacelab

    Science.gov (United States)

    North, B. F.; Hill, M. E.

    1980-01-01

    Five specific experiments were analyzed to provide definition of experiments designed to evaluate two phase fluid behavior in low gravity. The conceptual design represents a fluid mechanics and heat transfer facility for a double rack in Spacelab. The five experiments are two phase flow patterns and pressure drop, flow boiling, liquid reorientation, and interface bubble dynamics. Hardware was sized, instrumentation and data recording requirements defined, and the five experiments were installed as an integrated experimental package. Applicable available hardware was selected in the experiment design and total experiment program costs were defined.

  15. Mechanism of Photoinduced Metal-Free Atom Transfer Radical Polymerization: Experimental and Computational Studies.

    Science.gov (United States)

    Pan, Xiangcheng; Fang, Cheng; Fantin, Marco; Malhotra, Nikhil; So, Woong Young; Peteanu, Linda A; Isse, Abdirisak A; Gennaro, Armando; Liu, Peng; Matyjaszewski, Krzysztof

    2016-02-24

    Photoinduced metal-free atom transfer radical polymerization (ATRP) of methyl methacrylate was investigated using several phenothiazine derivatives and other related compounds as photoredox catalysts. The experiments show that all selected catalysts can be involved in the activation step, but not all of them participated efficiently in the deactivation step. The redox properties and the stability of radical cations derived from the catalysts were evaluated by cyclic voltammetry. Laser flash photolysis (LFP) was used to determine the lifetime and activity of photoexcited catalysts. Kinetic analysis of the activation reaction according to dissociative electron-transfer (DET) theory suggests that the activation occurs only with an excited state of catalyst. Density functional theory (DFT) calculations revealed the structures and stabilities of the radical cation intermediates as well as the reaction energy profiles of deactivation pathways with different photoredox catalysts. Both experiments and calculations suggest that the activation process undergoes a DET mechanism, while an associative electron transfer involving a termolecular encounter (the exact reverse of DET pathway) is favored in the deactivation process. This detailed study provides a deeper understanding of the chemical processes of metal-free ATRP that can aid the design of better catalytic systems. Additionally, this work elucidates several important common pathways involved in synthetically useful organic reactions catalyzed by photoredox catalysts.

  16. Development of pulsating twin jets mechanism for mixing flow heat transfer analysis.

    Science.gov (United States)

    Gitan, Ali Ahmed; Zulkifli, Rozli; Abdullah, Shahrir; Sopian, Kamaruzzaman

    2014-01-01

    Pulsating twin jets mechanism (PTJM) was developed in the present work to study the effect of pulsating twin jets mixing region on the enhancement of heat transfer. Controllable characteristics twin pulsed jets were the main objective of our design. The variable nozzle-nozzle distance was considered to study the effect of two jets interaction at the mixing region. Also, the phase change between the frequencies of twin jets was taken into account to develop PTJM. All of these factors in addition to the ability of producing high velocity pulsed jet led to more appropriate design for a comprehensive study of multijet impingement heat transfer problems. The performance of PTJM was verified by measuring the pulse profile at frequency of 20 Hz, where equal velocity peak of around 64 m/s for both jets was obtained. Moreover, the jet velocity profile at different pulsation frequencies was tested to verify system performance, so the results revealed reasonable velocity profile configuration. Furthermore, the effect of pulsation frequency on surface temperature of flat hot plate in the midpoint between twin jets was studied experimentally. Noticeable enhancement in heat transfer was obtained with the increasing of pulsation frequency.

  17. TRANSFER OF TECHNOLOGY – MECHANISM OF MODERN UNIVERSITY WITH COMMUNITY CONNECTION

    Directory of Open Access Journals (Sweden)

    Mihaela DIACONU

    2014-11-01

    Full Text Available This study presents, starting from the third mission of the university, a modern mechanism – technology transfer, by which the university can effectively contribute to local and regional socio-economic development and may provide additional sources of income for the research and development work in terms of substantially reducing the financial support by the state. The study emphasizes the role of the office of technology transfer as a means of connection of the university with the business environment able to arrange joint efforts of both sides in economic development. The method used was that of thematic analysis of the content of data published on the websites of the best performing TTO`s on technology transfer and the literature referring to the third mission of the university. The study develops a methodology with the procedural approach and the steps that should followed so that the university could become more competitive with the help of TTO. The conclusion is that, in the current conditions of higher education market, the entrepreneurial spirit of the university valued through TTO brings important benefits to society.

  18. Horizontal gene transfer facilitated the evolution of plant parasitic mechanisms in the oomycetes.

    Science.gov (United States)

    Richards, Thomas A; Soanes, Darren M; Jones, Meredith D M; Vasieva, Olga; Leonard, Guy; Paszkiewicz, Konrad; Foster, Peter G; Hall, Neil; Talbot, Nicholas J

    2011-09-13

    Horizontal gene transfer (HGT) can radically alter the genomes of microorganisms, providing the capacity to adapt to new lifestyles, environments, and hosts. However, the extent of HGT between eukaryotes is unclear. Using whole-genome, gene-by-gene phylogenetic analysis we demonstrate an extensive pattern of cross-kingdom HGT between fungi and oomycetes. Comparative genomics, including the de novo genome sequence of Hyphochytrium catenoides, a free-living sister of the oomycetes, shows that these transfers largely converge within the radiation of oomycetes that colonize plant tissues. The repertoire of HGTs includes a large number of putatively secreted proteins; for example, 7.6% of the secreted proteome of the sudden oak death parasite Phytophthora ramorum has been acquired from fungi by HGT. Transfers include gene products with the capacity to break down plant cell walls and acquire sugars, nucleic acids, nitrogen, and phosphate sources from the environment. Predicted HGTs also include proteins implicated in resisting plant defense mechanisms and effector proteins for attacking plant cells. These data are consistent with the hypothesis that some oomycetes became successful plant parasites by multiple acquisitions of genes from fungi.

  19. Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography.

    Science.gov (United States)

    Fukuda, Yohta; Tse, Ka Man; Nakane, Takanori; Nakatsu, Toru; Suzuki, Mamoru; Sugahara, Michihiro; Inoue, Shigeyuki; Masuda, Tetsuya; Yumoto, Fumiaki; Matsugaki, Naohiro; Nango, Eriko; Tono, Kensuke; Joti, Yasumasa; Kameshima, Takashi; Song, Changyong; Hatsui, Takaki; Yabashi, Makina; Nureki, Osamu; Murphy, Michael E P; Inoue, Tsuyoshi; Iwata, So; Mizohata, Eiichi

    2016-03-15

    Proton-coupled electron transfer (PCET), a ubiquitous phenomenon in biological systems, plays an essential role in copper nitrite reductase (CuNiR), the key metalloenzyme in microbial denitrification of the global nitrogen cycle. Analyses of the nitrite reduction mechanism in CuNiR with conventional synchrotron radiation crystallography (SRX) have been faced with difficulties, because X-ray photoreduction changes the native structures of metal centers and the enzyme-substrate complex. Using serial femtosecond crystallography (SFX), we determined the intact structures of CuNiR in the resting state and the nitrite complex (NC) state at 2.03- and 1.60-Å resolution, respectively. Furthermore, the SRX NC structure representing a transient state in the catalytic cycle was determined at 1.30-Å resolution. Comparison between SRX and SFX structures revealed that photoreduction changes the coordination manner of the substrate and that catalytically important His255 can switch hydrogen bond partners between the backbone carbonyl oxygen of nearby Glu279 and the side-chain hydroxyl group of Thr280. These findings, which SRX has failed to uncover, propose a redox-coupled proton switch for PCET. This concept can explain how proton transfer to the substrate is involved in intramolecular electron transfer and why substrate binding accelerates PCET. Our study demonstrates the potential of SFX as a powerful tool to study redox processes in metalloenzymes.

  20. Modelling heat and mass transfer in bread baking with mechanical deformation

    Science.gov (United States)

    Nicolas, V.; Salagnac, P.; Glouannec, P.; Ploteau, J.-P.; Jury, V.; Boillereaux, L.

    2012-11-01

    In this paper, the thermo-hydric behaviour of bread during baking is studied. A numerical model has been developed with Comsol Multiphysics© software. The model takes into account the heat and mass transfers in the bread and the phenomenon of swelling. This model predicts the evolution of temperature, moisture, gas pressure and deformation in French "baguette" during baking. Local deformation is included in equations using solid phase conservation and, global deformation is calculated using a viscous mechanic model. Boundary conditions are specified with the sole temperature model and vapour pressure estimation of the oven during baking. The model results are compared with experimental data for a classic baking. Then, the model is analysed according to physical properties of bread and solicitations for a better understanding of the interactions between different mechanisms within the porous matrix.

  1. Heat transfer mechanisms during short-pulse laser heating of metals

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, T.Q.; Tien, C.L. (Univ. of California, Berkeley, CA (United States))

    1993-11-01

    This work studies heat transfer mechanisms during ultrafast laser heating of metals from a microscopic point of view. The heating process is composed of three processes: the deposition of radiation energy on electrons, the transport of energy by electrons, and the heating of the material lattice through electron-lattice interactions. The Boltzmann transport equation is used to model the transport of electrons and electron lattice interactions. The scattering term of the Boltzmann equation is evaluated from quantum mechanical considerations, which shows the different contributions of the elastic and inelastic electron-lattice scattering processes on energy transport. By solving the Boltzmann equation, a hyperbolic two-step radiation heating model is rigorously established. It reveals the hyperbolic nature of energy flux carried by electrons and the nonequilibrium between electrons and the lattice during fast heating processes. Predictions from the current model agree with available experimental data during subpicosecond laser heating. 20 refs., 7 figs., 2 tabs.

  2. Micellar control of the photooxidation pathways of 10-methyl phenothiazine: electron versus energy transfer mechanisms.

    Science.gov (United States)

    Manju, Thankamoniamma; Manoj, Narayanapillai; López Gejo, Juan; Braun, André M; Oliveros, Esther

    2014-02-01

    10-Methyl phenothiazine (MPS) was chosen as a model compound to investigate the effects of compartmentalisation and of charged interfaces on the primary mechanisms involved in the phototoxic reactions related to phenothiazine drugs. Two most important pathways resulting from the interaction of the triplet excited state of MPS ((3)MPS*) with molecular oxygen ((3)O2) have to be considered: (i) energy transfer producing singlet oxygen ((1)O2) and (ii) electron transfer generating the superoxide anion (O2˙(-)) and the radical cation (MPS˙(+)). The quantum yields of (1)O2 production by MPS solubilized in the dispersed pseudo-phase of aqueous micellar systems were found to be similar to those determined in solvents of various polarities, regardless of the anionic or cationic nature of the surfactant (SDS or CTAC). However, micellar compartmentalisation and surfactant charge affect considerably both the sensitized and the self-sensitized photooxidation of MPS. The formation of 10-methyl phenothiazine sulfoxide (MPSO), produced by the reaction of MPS with (1)O2, proceeds at a higher rate in SDS micelles than in neat polar solvents. This result may be explained by the protonation of the zwitterionic intermediate Z (MPS(+)OO(-)) at the micellar interface to yield the corresponding cation C (MPS(+)OOH) that is stabilized in the negatively charged micelles and reacts much faster with MPS than Z to yield MPSO. The electron transfer reaction from (3)MPS* to O2 yielding MPS˙(+) and O2˙(-) is also enhanced in SDS micelles, as back electron transfer (BET) is prevented by ejection of O2˙(-) to the aqueous bulk phase and stabilization of MPS˙(+) in the anionic micelles. The size of the SDS micelles modulates the relative contribution of each pathway (formation of MPSO or MPS˙(+)) to the overall conversion of MPS to its oxidation products. Photooxidation of MPS in cationic micelles is a very slow process, as the formation of neither C nor MPS˙(+) is favoured in positively

  3. Mechanisms of heat transfer enhancement and slow decay of swirl in tubes using tangential injection

    Science.gov (United States)

    Chang, F.; Dhir, V. K.

    1995-04-01

    The turbulent flowfield in a tube heated uniformly from the wall has been experimentally studied when fluid is injected tangentially. The experiments were conducted by injecting air through injectors placed on the periphery of a 88.9-mm inside diameter and 2.5-m long acrylic tube. Six injectors of 22.23-mm inside diameter were used and tangential to total momentum flux ratio of 2.67 was obtained in the experiments. Temperature profiles were measured with a resistance thermometer probe. Profiles for mean velocities in the axial and tangential directions, as well as the Reynolds stresses were obtained using a single rotated straight hot wire and a single rotated slanted hot wire anemometer. No significant difference in mean velocities and Reynolds stresses were found between the adiabatic experiments and diabatic ones. Two major mechanisms for enhancement of heat transfer are identified: (1) high maximum axial velocity near the wall produces higher heat flux from the wall; and (2) high turbulence level in the middle region of the tube improves mixing and, thus, rate of heat transfer. Furthermore, it is observed that both the kinetic energy of the mean flow and the turbulence level decrease as swirl decays. However, during the decay process, the high turbulence-energy-production from Reynolds stresses is necessary to transfer the kinetic energy of the mean flow to the turbulence energy. This high turbulence-production, in turn, slows down the rate of decrease of the turbulence level. As a result, the swirl and the heat transfer enhancement are preserved for a long distance.

  4. Horizontal gene transfer regulation in bacteria as a "spandrel" of DNA repair mechanisms.

    Directory of Open Access Journals (Sweden)

    Saliou Fall

    Full Text Available Horizontal gene transfer (HGT is recognized as the major force for bacterial genome evolution. Yet, numerous questions remain about the transferred genes, their function, quantity and frequency. The extent to which genetic transformation by exogenous DNA has occurred over evolutionary time was initially addressed by an in silico approach using the complete genome sequence of the Ralstonia solanacearum GMI1000 strain. Methods based on phylogenetic reconstruction of prokaryote homologous genes families detected 151 genes (13.3% of foreign origin in the R. solanacearum genome and tentatively identified their bacterial origin. These putative transfers were analyzed in comparison to experimental transformation tests involving 18 different genomic DNA positions in the genome as sites for homologous or homeologous recombination. Significant transformation frequency differences were observed among these positions tested regardless of the overall genomic divergence of the R. solanacearum strains tested as recipients. The genomic positions containing the putative exogenous DNA were not systematically transformed at the highest frequencies. The two genomic "hot spots", which contain recA and mutS genes, exhibited transformation frequencies from 2 to more than 4 orders of magnitude higher than positions associated with other genes depending on the recipient strain. These results support the notion that the bacterial cell is equipped with active mechanisms to modulate acquisition of new DNA in different genomic positions. Bio-informatics study correlated recombination "hot-spots" to the presence of Chi-like signature sequences with which recombination might be preferentially initiated. The fundamental role of HGT is certainly not limited to the critical impact that the very rare foreign genes acquired mainly by chance can have on the bacterial adaptation potential. The frequency to which HGT with homologous and homeologous DNA happens in the environment

  5. Biomolecular Mechanisms of Mercury Transfers and Transformations by Proteins of the Mer Operon

    Science.gov (United States)

    Miller, S. M.; Hong, B.; Nauss, R.; Momany, C.; Summers, A. O.; Feng, X.; Harwood, I.; Stroud, R.

    2008-12-01

    Aerobic bacteria exhibiting resistance to the toxic effects of Hg(II) and organomercurials [RHg(I), e.g. MeHg(I)] and are widely found in both pristine and mercury contaminated environments. Resistance, afforded by a plasmid- or transposon-associated mer operon, involves an unusual pathway where Hg(II) and organomercurials [RHg(I)] undergo facilitated entry into the bacterial cytoplasm via an integral membrane transport protein (MerT) and are then "detoxified" by the concerted effort of two enzymes, organomercurial lyase (MerB), which catalyzes dealkylation (i.e., demethylation) of RHg(I) to Hg(II) and a hydrocarbon, and mercuric ion reductase (MerA), which catalyzes reduction of Hg(II) to Hg(0) as the ultimate detoxification for the organism. With a widespread distribution, these bacterial transformations play a significant role in the fate of mercury in the environment. Our focus is on elucidation of the molecular mechanisms for the transport and catalytic transformations of RHg(I) and Hg(II) by these proteins and the factors that influence the overall efficiency of the process. Current efforts are focused primarily on elucidating details of RHg(I) binding and dealkylation by MerB as well as the mechanism for transfer of the Hg(II) product to MerA. Key findings include the demonstration of a non-cysteine residue as essential for the catalytic activity and demonstration that direct transfer of Hg(II) to MerA proceeds more rapidly and more completely than transfer to small MW thiols such as cysteines or glutathione. Reuslts of these studies as well as an overview of our current understanding of the whole system will be presented.

  6. Irreversible Aspects of Continuum Mechanics and Transfer of Physical Characteristics in Moving Fluids : Symposia

    CERN Document Server

    Sedov, L

    1968-01-01

    At its meeting on April 23, 1965 in Paris the Bureau of IUTAM decided to have a Symposium on the Irreversible Aspects of Continaum Mechanics held in June 1966 in Vienna. In addition, a Symposium on the Transfer of Physical Characteristics in Moving Fluids which, orig­ inally, had been scheduled to take place in Stockholm was rescheduled to be held in Vienna immediately following the Symposium on the Irre­ versible Aspects of Continuum Mechanics. It was felt that the subjects of the two symposia were so closely related that participants should be given an opportunity to attend both. Both decisions were unanimously approved by the members of the General Assembly of IUTAM. Prof. H. PARKUS, Vienna, was appointed Chairman of the Symposium on the Irreversible Aspects, and Prof. L. I. SEDOV, Moscow, was appointed Chairman of the Symposium on the Transfer of Physical Characteristics, with Prof. P ARKUS being re­ sponsible for the local organization of both symposia. In accordance with the policy set forth by IUTAM...

  7. Charge Transfer Mechanism in Titanium-Doped Microporous Silica for Photocatalytic Water-Splitting Applications

    Directory of Open Access Journals (Sweden)

    Wendi Sapp

    2016-02-01

    Full Text Available Solar energy conversion into chemical form is possible using artificial means. One example of a highly-efficient fuel is solar energy used to split water into oxygen and hydrogen. Efficient photocatalytic water-splitting remains an open challenge for researchers across the globe. Despite significant progress, several aspects of the reaction, including the charge transfer mechanism, are not fully clear. Density functional theory combined with density matrix equations of motion were used to identify and characterize the charge transfer mechanism involved in the dissociation of water. A simulated porous silica substrate, using periodic boundary conditions, with Ti4+ ions embedded on the inner pore wall was found to contain electron and hole trap states that could facilitate a chemical reaction. A trap state was located within the silica substrate that lengthened relaxation time, which may favor a chemical reaction. A chemical reaction would have to occur within the window of photoexcitation; therefore, the existence of a trapping state may encourage a chemical reaction. This provides evidence that the silica substrate plays an integral part in the electron/hole dynamics of the system, leading to the conclusion that both components (photoactive materials and support of heterogeneous catalytic systems are important in optimization of catalytic efficiency.

  8. Experimental evidence for quantum cutting co-operative energy transfer process in Pr(3+)/Yb(3+) ions co-doped fluorotellurite glass: dispute over energy transfer mechanism.

    Science.gov (United States)

    Balaji, Sathravada; Ghosh, Debarati; Biswas, Kaushik; Gupta, Gaurav; Annapurna, Kalyandurg

    2016-12-07

    Pr(3+)/Yb(3+) doped materials have been widely reported as quantum-cutting materials in recent times. However, the question of the energy transfer mechanism in the Pr(3+)/Yb(3+) pair in light of the quantum-cutting phenomenon still remains unanswered. In view of that, we explored a series of Pr(3+)/Yb(3+) co-doped low phonon fluorotellurite glass systems to estimate the probability of different energy transfer mechanisms. Indeed, a novel and simple way to predict the probability of the proper energy transfer mechanism in the Pr(3+)/Yb(3+) pair is possible by considering the donor Pr(3+) ion emission intensities and the relative ratio dependence in the presence of acceptor Yb(3+) ions. Moreover, the observed results are very much in accordance with other estimated results that support the quantum-cutting phenomena in Pr(3+)/Yb(3+) pairs, such as sub-linear power dependence of Yb(3+) NIR emission upon visible ∼450 nm laser excitation, integrated area of the donor Pr(3+) ion's visible excitation spectrum recorded by monitoring the acceptor Yb(3+) ion's NIR emission, and the experimentally obtained absolute quantum yield values using an integrating sphere setup. Our results give a simple way of estimating the probability of an energy transfer mechanism and the factors to be considered, particularly for the Pr(3+)/Yb(3+) pair.

  9. Theoretical study on the mechanism of double proton transfer in porphycene by path-integral molecular dynamics simulations

    Science.gov (United States)

    Yoshikawa, Takehiro; Sugawara, Shuichi; Takayanagi, Toshiyuki; Shiga, Motoyuki; Tachikawa, Masanori

    2010-08-01

    Full-dimensional path-integral molecular dynamics simulations were performed to determine whether the double proton transfer tautomerization of porphycene is a concerted or a stepwise process. We employed an on-the-fly direct dynamics technique at the semiempirical PM6 method whose parameters were determined so as that the relative energies of the stationary points approximately reproduce previously reported electronic structure calculations. It was found that double proton transfer occurs dominantly through the concerted pathway via the second-order saddle point structure and that contribution of the stepwise mechanism increases with a temperature increase. Nuclear quantum effects play essential roles in determining the proton transfer mechanism.

  10. Restrained Proton Indicator in Combined Quantum-Mechanics/Molecular-Mechanics Dynamics Simulations of Proton Transfer through a Carbon Nanotube.

    Science.gov (United States)

    Duster, Adam W; Lin, Hai

    2017-09-14

    Recently, a collective variable "proton indicator" was purposed for tracking an excess proton solvated in bulk water in molecular dynamics simulations. In this work, we demonstrate the feasibility of utilizing the position of this proton indicator as a reaction coordinate to model an excess proton migrating through a hydrophobic carbon nanotube in combined quantum-mechanics/molecular-mechanics simulations. Our results indicate that applying a harmonic restraint to the proton indicator in the bulk solvent near the nanotube pore entrance leads to the recruitment of water molecules into the pore. This is consistent with an earlier study that employed a multistate empirical valence bond potential and a different representation (center of excess charge) of the proton. We attribute this water recruitment to the delocalized nature of the solvated proton, which prefers to be in high-dielectric bulk solvent. While water recruitment into the pore is considered an artifact in the present simulations (because of the artificially imposed restraint on the proton), if the proton were naturally restrained, it could assist in building water wires prior to proton transfer through the pore. The potential of mean force for a proton translocation through the water-filled pore was computed by umbrella sampling, where the bias potentials were applied to the proton indicator. The free energy curve and barrier heights agree reasonably with those in the literature. The results suggest that the proton indicator can be used as a reaction coordinate in simulations of proton transport in confined environments.

  11. Mechanical characterization and structural analysis of recycled fiber-reinforced-polymer resin-transfer-molded beams

    Science.gov (United States)

    Tan, Eugene Wie Loon

    1999-09-01

    The present investigation was focussed on the mechanical characterization and structural analysis of resin-transfer-molded beams containing recycled fiber-reinforced polymers. The beams were structurally reinforced with continuous unidirectional glass fibers. The reinforcing filler materials consisted entirely of recycled fiber-reinforced polymer wastes (trim and overspray). The principal resin was a 100-percent dicyclo-pentadiene unsaturated polyester specially formulated with very low viscosity for resin transfer molding. Variations of the resin transfer molding technique were employed to produce specimens for material characterization. The basic materials that constituted the structural beams, continuous-glass-fiber-reinforced, recycled-trim-filled and recycled-overspray-filled unsaturated polyesters, were fully characterized in axial and transverse compression and tension, and inplane and interlaminar shear, to ascertain their strengths, ultimate strains, elastic moduli and Poisson's ratios. Experimentally determined mechanical properties of the recycled-trim-filled and recycled-overspray-filled materials from the present investigation were superior to those of unsaturated polyester polymer concretes and Portland cement concretes. Mechanical testing and finite element analyses of flexure (1 x 1 x 20 in) and beam (2 x 4 x 40 in) specimens were conducted. These structurally-reinforced specimens were tested and analyzed in four-point, third-point flexure to determine their ultimate loads, maximum fiber stresses and mid-span deflections. The experimentally determined load capacities of these specimens were compared to those of equivalent steel-reinforced Portland cement concrete beams computed using reinforced concrete theory. Mechanics of materials beam theory was utilized to predict the ultimate loads and mid-span deflections of the flexure and beam specimens. However, these predictions proved to be severely inadequate. Finite element (fracture propagation

  12. Transfer Kinetics at the Aqueous/Non-Aqueous Phase Liquid Interface. A Statistical Mechanic Approach

    Science.gov (United States)

    Doss, S. K.; Ezzedine, S.; Ezzedine, S.; Ziagos, J. P.; Hoffman, F.; Gelinas, R. J.

    2001-05-01

    Many modeling efforts in the literature use a first-order, linear-driving-force model to represent the chemical dissolution process at the non-aqueous/aqueous phase liquid (NAPL/APL) interface. In other words, NAPL to APL phase flux is assumed to be equal to the difference between the solubility limit and the "bulk aqueous solution" concentrations times a mass transfer coefficient. Under such assumptions, a few questions are raised: where, in relation to a region of pure NAPL, does the "bulk aqueous solution" regime begin and how does it behave? The answers are assumed to be associated with an arbitrary, predetermined boundary layer, which separates the NAPL from the surrounding solution. The mass transfer rate is considered to be, primarily, limited by diffusion of the component through the boundary layer. In fact, compositional models of interphase mass transfer usually assume that a local equilibrium is reached between phases. Representing mass flux as a rate-limiting process is equivalent to assuming diffusion through a stationary boundary layer with an instantaneous local equilibrium and linear concentration profile. Some environmental researchers have enjoyed success explaining their data using chemical engineering-based correlations. Correlations are strongly dependent on the experimental conditions employed. A universally applicable theory for NAPL dissolution in natural systems does not exist. These correlations are usually expressed in terms of the modified Sherwood number as a function of Reynolds, Peclet, and Schmidt numbers. The Sherwood number may be interpreted as the ratio between the grain size and the thickness of the Nernst stagnant film. In the present study, we show that transfer kinetics at the NAPL/APL interface under equilibrium conditions disagree with approaches based on the Nernst stagnant film concept. It is unclear whether local equilibrium assumptions used in current models are suitable for all situations.A statistical mechanic

  13. Dynamic Modeling and Control of Distributed Heat Transfer Mechanisms: Application to a Membrane Distillation Module

    KAUST Repository

    Eleiwi, Fadi

    2015-12-01

    Sustainable desalination technologies are the smart solution for producing fresh water and preserve the environment and energy by using sustainable renewable energy sources. Membrane distillation (MD) is an emerging technology which can be driven by renewable energy. It is an innovative method for desalinating seawater and brackish water with high quality production, and the gratitude is to its interesting potentials. MD includes a transfer of water vapor from a feed solution to a permeate solution through a micro-porous hydrophobic membrane, rejecting other non-volatile constituents present in the influent water. The process is driven by the temperature difference along the membrane boundaries. Different control applications and supervision techniques would improve the performance and the efficiency of the MD process, however controlling the MD process requires comprehensive mathematical model for the distributed heat transfer mechanisms inside the process. Our objective is to propose a dynamic mathematical model that accounts for the time evolution of the involved heat transfer mechanisms in the process, and to be capable of hosting intermittent energy supplies, besides managing the production rate of the process, and optimizing its energy consumption. Therefore, we propose the 2D Advection-Diffusion Equation model to account for the heat diffusion and the heat convection mechanisms inside the process. Furthermore, experimental validations have proved high agreement between model simulations and experiments with less than 5% relative error. Enhancing the MD production is an anticipated goal, therefore, two main control strategies are proposed. Consequently, we propose a nonlinear controller for a semi-discretized version of the dynamic model to achieve an asymptotic tracking for a desired temperature difference. Similarly, an observer-based feedback control is used to track sufficient temperature difference for better productivity. The second control strategy

  14. The investigation of excited state proton transfer mechanism in water-bridged 7-azaindole

    Science.gov (United States)

    Zhang, Yong-Jia; Zhao, Jin-Feng; Li, Yong-Qing

    2016-01-01

    Based on the time-dependent density functional theory (TDDFT), the excited-state intermolecular proton transfer (ESIPT) mechanism of water-bridged 7-azaindole has been investigated theoretically. The calculations of primary bond lengths and the IR vibrational spectra between the S0 state and the S1 state that verified the intramolecular hydrogen bond were strengthened. The fact that reproduced experimental absorbance and fluorescence emission spectra well theoretically demonstrate that the TDDFT theory we adopted is reasonable and effective. In addition, intramolecular charge transfer based on the frontier molecular orbitals demonstrated the indication of the ESIPT reaction. The constructed potential energy curves of ground state and the first excited state based on keeping the H2···O3 and H6···N7 distances fixed at a series of values have been used to illustrate the ESIPT process. A relative lower barrier of 5.94 kcal/mol in the S1 state potential energy curve for type II (lower than that of 9.82 kcal/mol in the S1 state for type I) demonstrates that type II ESIPT process occurs firstly in 7Al-2H2O complex.

  15. Charge-transfer optical absorption mechanism of DNA:Ag-nanocluster complexes

    Science.gov (United States)

    Longuinhos, R.; Lúcio, A. D.; Chacham, H.; Alexandre, S. S.

    2016-05-01

    Optical properties of DNA:Ag-nanoclusters complexes have been successfully applied experimentally in Chemistry, Physics, and Biology. Nevertheless, the mechanisms behind their optical activity remain unresolved. In this work, we present a time-dependent density functional study of optical absorption in DNA:Ag4. In all 23 different complexes investigated, we obtain new absorption peaks in the visible region that are not found in either the isolated Ag4 or isolated DNA base pairs. Absorption from red to green are predominantly of charge-transfer character, from the Ag4 to the DNA fragment, while absorption in the blue-violet range are mostly associated to electronic transitions of a mixed character, involving either DNA-Ag4 hybrid orbitals or intracluster orbitals. We also investigate the role of exchange-correlation functionals in the calculated optical spectra. Significant differences are observed between the calculations using the PBE functional (without exact exchange) and the CAM-B3LYP functional (which partly includes exact exchange). Specifically, we observe a tendency of charge-transfer excitations to involve purines bases, and the PBE spectra error is more pronounced in the complexes where the Ag cluster is bound to the purines. Finally, our results also highlight the importance of adding both the complementary base pair and the sugar-phosphate backbone in order to properly characterize the absorption spectrum of DNA:Ag complexes.

  16. Thermo-mechanical modeling of turbulent heat transfer in gas-solid flows including particle collisions

    Energy Technology Data Exchange (ETDEWEB)

    Mansoori, Zohreh; Saffar-Avval, Majid; Basirat-Tabrizi, Hassan; Ahmadi, Goodarz; Lain, Santiago

    2002-12-01

    A thermo-mechanical turbulence model is developed and used for predicting heat transfer in a gas-solid flow through a vertical pipe with constant wall heat flux. The new four-way interaction model makes use of the thermal k{sub {theta}}-{tau}{sub {theta}} equations, in addition to the hydrodynamic k-{tau} transport, and accounts for the particle-particle and particle-wall collisions through a Eulerian/Lagrangian formulation. The simulation results indicate that the level of thermal turbulence intensity and the heat transfer are strongly affected by the particle collisions. Inter-particle collisions attenuate the thermal turbulence intensity near the wall but somewhat amplify the temperature fluctuations in the pipe core region. The hydrodynamic-to-thermal times-scale ratio and the turbulent Prandtl number in the region near the wall increase due to the inter-particle collisions. The results also show that the use of a constant or the single-phase gas turbulent Prandtl number produces error in the thermal eddy diffusivity and thermal turbulent intensity fields. Simulation results also indicate that the inter-particle contact heat conduction during collision has no significant effect in the range of Reynolds number and particle diameter studied.

  17. Reorganization energy, activation energy, and mechanism of hole transfer process in DNA: a theoretical study.

    Science.gov (United States)

    Khan, Arshad

    2008-02-21

    The density functional calculations with aug-cc-pVDZ basis sets on cationic guanine-cytosine (GC(+)) and adenine-thymine (AT(+)) base pairs suggest that the cationic charge is almost entirely localized on the G and A units with significant changes in the N-H and N...O distances around the H-bonded area. While the calculated intramolecular reorganization energy (lambda(v)) for a GC base pair (0.75 eV) is remarkably larger than that for an isolated G base (0.49 eV), for the AT base pairs these values (0.44 and 0.40 eV) are almost the same. The gas phase activation energies (E(a)) for GC(+)GC-->GCGC(+), AT(+)AT-->ATAT(+), and GC(+)AT-->GCAT(+) hole transfer processes are 0.19, 0.11, and 0.73 eV with rate constants of 1.69 x 10(11), 3.15 x 10(11), and 4.61(0.168) s(-1), respectively, at 298 K. An alternative mechanism of hole transfer has been proposed on the basis of energy barriers.

  18. Experimental and modeling study on charge storage/transfer mechanism of graphene-based supercapacitors

    Science.gov (United States)

    Ban, Shuai; Jing, Xie; Zhou, Hongjun; Zhang, Lei; Zhang, Jiujun

    2014-12-01

    A symmetrical graphene-based supercapacitor is constructed for studying the charge-transfer mechanism within the graphene-based electrodes using both experiment measurements and molecular simulation. The in-house synthesized graphene is characterized by XRD, SEM and BET measurements for morphology and surface area. It is observed that the electric capacity of graphene electrode can be reduced by both high internal resistance and limited mass transfer. Computer modeling is conducted at the molecular level to characterize the diffusion behavior of electrolyte ions to the interior of electrode with emphasis on the unique 2D confinement imposed by graphene layers. Although graphene powder poses a moderate internal surface of 400 m2 g-1, the capacitance performance of graphene electrode can be as good as that of commercial activated carbon which has an overwhelming surface area of 1700 m2 g-1. An explanation to this abnormal correlation is that graphene material has an intrinsic capability of adaptively reorganizing its microporous structure in response to intercalation of ions and immergence of electrolyte solvent. The accessible surface of graphene is believed to be dramatically enlarged for ion adsorption during the charging process of capacitor.

  19. Cyanobacterial defense mechanisms against foreign DNA transfer and their impact on genetic engineering.

    Science.gov (United States)

    Stucken, Karina; Koch, Robin; Dagan, Tal

    2013-01-01

    Cyanobacteria display a large diversity of cellular forms ranging from unicellular to complex multicellular filaments or aggregates. Species in the group present a wide range of metabolic characteristics including the fixation of atmospheric nitrogen, resistance to extreme environments, production of hydrogen, secondary metabolites and exopolysaccharides. These characteristics led to the growing interest in cyanobacteria across the fields of ecology, evolution, cell biology and biotechnology. The number of available cyanobacterial genome sequences has increased considerably in recent years, with more than 140 fully sequenced genomes to date. Genetic engineering of cyanobacteria is widely applied to the model unicellular strains Synechocystis sp. PCC 6803 and Synechococcus elongatus PCC 7942. However the establishment of transformation protocols in many other cyanobacterial strains is challenging. One obstacle to the development of these novel model organisms is that many species have doubling times of 48 h or more, much longer than the bacterial models E. coli or B. subtilis. Furthermore, cyanobacterial defense mechanisms against foreign DNA pose a physical and biochemical barrier to DNA insertion in most strains. Here we review the various barriers to DNA uptake in the context of lateral gene transfer among microbes and the various mechanisms for DNA acquisition within the prokaryotic domain. Understanding the cyanobacterial defense mechanisms is expected to assist in the development and establishment of novel transformation protocols that are specifically suitable for this group.

  20. Experience transfer in Norwegian oil and gas industry: Approaches and organizational mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Aase, Karina

    1997-12-31

    The main objective of this thesis has been to explore how experience transfer works in Norwegian oil and gas industry. This includes how the concept of experience transfer is defined, what the barriers to achieve experience transfer are, how the oil and gas companies address experience transfer, and how these approaches work. The thesis is organized in five papers: (1) describes how organizational members perceive experience transfer and then specifies the organizational and structural barriers that must be overcome to achieve efficient transfer. (2) discusses the organizational means an oil company implements to address experience transfer. (3) describes a process of improving and using requirement and procedure handbooks for experience transfer. (4) explores how the use of information technology influences experience transfer. (5) compares organizational members` perceptions of experience transfer means in an oil company and an engineering company involved in offshore development projects. 277 refs., 3 figs., 29 tabs.

  1. Nonlinear Lyapunov-based boundary control of distributed heat transfer mechanisms in membrane distillation plant

    KAUST Repository

    Eleiwi, Fadi

    2015-07-01

    This paper presents a nonlinear Lyapunov-based boundary control for the temperature difference of a membrane distillation boundary layers. The heat transfer mechanisms inside the process are modeled with a 2D advection-diffusion equation. The model is semi-descretized in space, and a nonlinear state-space representation is provided. The control is designed to force the temperature difference along the membrane sides to track a desired reference asymptotically, and hence a desired flux would be generated. Certain constraints are put on the control law inputs to be within an economic range of energy supplies. The effect of the controller gain is discussed. Simulations with real process parameters for the model, and the controller are provided. © 2015 American Automatic Control Council.

  2. Reversible and rapid transfer-RNA deactivation as a mechanism of translational repression in stress.

    Science.gov (United States)

    Czech, Andreas; Wende, Sandra; Mörl, Mario; Pan, Tao; Ignatova, Zoya

    2013-08-01

    Stress-induced changes of gene expression are crucial for survival of eukaryotic cells. Regulation at the level of translation provides the necessary plasticity for immediate changes of cellular activities and protein levels. In this study, we demonstrate that exposure to oxidative stress results in a quick repression of translation by deactivation of the aminoacyl-ends of all transfer-RNA (tRNA). An oxidative-stress activated nuclease, angiogenin, cleaves first within the conserved single-stranded 3'-CCA termini of all tRNAs, thereby blocking their use in translation. This CCA deactivation is reversible and quickly repairable by the CCA-adding enzyme [ATP(CTP):tRNA nucleotidyltransferase]. Through this mechanism the eukaryotic cell dynamically represses and reactivates translation at low metabolic costs.

  3. Reversible and rapid transfer-RNA deactivation as a mechanism of translational repression in stress.

    Directory of Open Access Journals (Sweden)

    Andreas Czech

    2013-08-01

    Full Text Available Stress-induced changes of gene expression are crucial for survival of eukaryotic cells. Regulation at the level of translation provides the necessary plasticity for immediate changes of cellular activities and protein levels. In this study, we demonstrate that exposure to oxidative stress results in a quick repression of translation by deactivation of the aminoacyl-ends of all transfer-RNA (tRNA. An oxidative-stress activated nuclease, angiogenin, cleaves first within the conserved single-stranded 3'-CCA termini of all tRNAs, thereby blocking their use in translation. This CCA deactivation is reversible and quickly repairable by the CCA-adding enzyme [ATP(CTP:tRNA nucleotidyltransferase]. Through this mechanism the eukaryotic cell dynamically represses and reactivates translation at low metabolic costs.

  4. Detailed theoretical investigation of excited-state intramolecular proton transfer mechanism of a new chromophore II

    Science.gov (United States)

    Cui, Yanling; Li, Yafei; Dai, Yumei; Verpoort, Francis; Song, Peng; Xia, Lixin

    2016-02-01

    In the present work, TDDFT has been used to investigate the excited state intramolecular proton transfer (ESIPT) mechanism of a new chromophore II [Sensors and Actuators B: Chemical. 202 (2014) 1190]. The calculated absorption and fluorescence spectra agree well with experimental results. In addition, two types of II configurations are found in the first excited state (S1), which can be ascribed to the ESIPT reaction. Based on analysis of the calculated infrared (IR) spectra of O-H stretching vibration as well as the hydrogen bonding energies, the strengthening of the hydrogen bond in the S1 state has been confirmed. The frontier molecular orbitals (MOs), Hirshfeld charge distribution and the Natural bond orbital (NBO) have also been analyzed, which displays the tendency of the ESIPT process. Finally, potential energy curves of the S0 and S1 states were constructed, demonstrating that the ESIPT reaction can be facilitated based on the photo-excitation.

  5. Photoinduced electron transfer and fluorescence mechanisms in covalently linked polynuclear aromatic-nucleotide complexes

    Energy Technology Data Exchange (ETDEWEB)

    Geacintov, N.E.; Mao, Bing; Zhao, Rushen; Chen, Junxin; Liu, Tong Ming; Ya, Nai-Qi [New York Univ., NY (United States). Dept. of Chemistry; France, L.L.; Sutherland, J.D. [Brookhaven National Lab., Upton, NY (United States)

    1992-04-01

    The fluorescence of polycyclic aromatic hydrocarbon-nucleic acid complexes is quenched by photoinduced electron transfer mechanisms in aqueous solutions at ambient temperatures. These effects are illustrated with the biologically important compound benzo[a]pyrene-7,8-diol-9,10-epoxide (BPDE), a mutagenic and carcinogenic metabolite of the environmental pollutant benzo[a]pyrene, which forms covalent mutagenic lesions with 2{prime}-deoxyguanosine (dG) residues in DNA. The dependence of the fluroescence yeild and fluorescence decay times of the covalent model adduct (+)-trans-BPDE-N{sup 2}-dG as a function of temperature and methanol/water composition are described. Because of the sensitivity of the fluorescence of the pyrenyl residue to the polarity of the microenvironment, the magnitude of the fluorescence yield can be used to distinguish between highly hydrophobic (e.g. intercalation) and other more solvent-exposed BPDE-nucleic acid binding sites.

  6. Photoinduced electron transfer and fluorescence mechanisms in covalently linked polynuclear aromatic-nucleotide complexes

    Energy Technology Data Exchange (ETDEWEB)

    Geacintov, N.E.; Mao, Bing; Zhao, Rushen; Chen, Junxin; Liu, Tong Ming; Ya, Nai-Qi (New York Univ., NY (United States). Dept. of Chemistry); France, L.L.; Sutherland, J.D. (Brookhaven National Lab., Upton, NY (United States))

    1992-01-01

    The fluorescence of polycyclic aromatic hydrocarbon-nucleic acid complexes is quenched by photoinduced electron transfer mechanisms in aqueous solutions at ambient temperatures. These effects are illustrated with the biologically important compound benzo(a)pyrene-7,8-diol-9,10-epoxide (BPDE), a mutagenic and carcinogenic metabolite of the environmental pollutant benzo(a)pyrene, which forms covalent mutagenic lesions with 2{prime}-deoxyguanosine (dG) residues in DNA. The dependence of the fluroescence yeild and fluorescence decay times of the covalent model adduct (+)-trans-BPDE-N{sup 2}-dG as a function of temperature and methanol/water composition are described. Because of the sensitivity of the fluorescence of the pyrenyl residue to the polarity of the microenvironment, the magnitude of the fluorescence yield can be used to distinguish between highly hydrophobic (e.g. intercalation) and other more solvent-exposed BPDE-nucleic acid binding sites.

  7. Simultaneous Wireless Information and Power Transfer Mechanism in Interference Alignment Relay Networks

    Directory of Open Access Journals (Sweden)

    Fahui Wu

    2016-01-01

    Full Text Available This paper considers a simultaneous wireless information and power transfer (SWIPT mechanism in an interference alignment (IA relay system, in which source nodes send wireless information and energy simultaneously to relay nodes, and relay nodes forward the received signal to destination nodes powered by harvested energy. To manage interference and utilize interference as energy source, two-SWIPT receiver is designed, namely, power splitting (PS, and antennas switching (AS has been considered for relay system. The performance of AS- and PS-based IA relay systems is considered, as is a new energy cooperation (ECop scheme that is proposed to improve system performance. Numerical results are provided to evaluate the performance of all schemes and it is shown from the simulations that the performance of proposed ECop outperformed both AS and PS.

  8. Colorimetric Sensors for Anion Recognition Based on the Proton Transfer Signaling Mechanism

    Institute of Scientific and Technical Information of China (English)

    HUANG Xiaohuan; HE Yongbing; CHEN Zhihong; HU Chenguang

    2009-01-01

    Phenolic hydroxyl based sensors N,N-bi(salicylidene)-1,2-phenylenediamine (1),2-[(4-nitrophenylimino)methyl] phenol (2) and 2-[p-tdylimino methyl] phenol (3) bearing Schiff-base groups can act as selective colorimetric sensors for anions,which exhibit distinct color changes in the presence of fluoride,but show no response to other halogen anions.They also give response to acetate,which is clearly visible to the naked eyes.The selectivity can be rationalized on the proton transfer signaling mechanism.The sensor 1 containing plural phenolic groups undergoes stepwise deprotonation of the two O-H fragments when it interacts with excess fluoride,which is confirmed by UV-Vis,1H NMR and 19F NMR spectroscopic methods.

  9. Analytical solutions for transport processes fluid mechanics, heat and mass transfer

    CERN Document Server

    Brenn, Günter

    2017-01-01

    This book provides analytical solutions to a number of classical problems in transport processes, i.e. in fluid mechanics, heat and mass transfer. Expanding computing power and more efficient numerical methods have increased the importance of computational tools. However, the interpretation of these results is often difficult and the computational results need to be tested against the analytical results, making analytical solutions a valuable commodity. Furthermore, analytical solutions for transport processes provide a much deeper understanding of the physical phenomena involved in a given process than do corresponding numerical solutions. Though this book primarily addresses the needs of researchers and practitioners, it may also be beneficial for graduate students just entering the field. .

  10. Flow mechanism and heat transfer enhancement in longitudinal-flow tube bundle of shell-and-tube heat exchanger

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The flow disturbance and heat transfer mechanism in the tube bundle of rod baffle shell-and-tube heat exchanger were analyzed, on the basis of which and combined with the concept of heat transfer enhancement in the core flow, a new type of shell-and-tube heat exchanger with combination of rod and van type spoiler was designed. Corresponding mathematical and physical models on the shell side about the new type heat exchanger were established, and fluid flow and heat transfer characteristics were numerically analyzed. The simulation results showed that heat transfer coefficient of the new type of heat exchanger approximated to that of rod baffle heat exchanger, but flow pressure drop was much less than the latter, indicating that comprehensive performance of the former is superior to that of the latter. Compared with rod baffle heat exchanger, heat transfer coefficient of the heat exchanger under investigation is higher under same pressure drop, especially under the high Reynolds numbers.

  11. Triplet-triplet energy transfer and protection mechanisms against singlet oxygen in photosynthesis

    Science.gov (United States)

    Kihara, Shigeharu

    individual BChl pigments within that photosynthetic antenna complex are accessed via their triplet state dynamics. It is found that the currently used exciton model of FMO needs to be revised. It is also shown that triplet excited states can be readily transferred between the molecules. It is proposed that the triplet energy transfer between the BChl molecules can also serve as a protection mechanism. Finally, it is inferred that at least one of the BChl molecules within the FMO has a triplet state energy that is lower than that of singlet oxygen. This effectively prevents the formation of singlet oxygen and protects the complex from oxidative damage. The energy of BChl is apparently lowered by the specific protein environment, as in solution its energy is measured to be somewhat higher than the energy of singlet oxygen. Finally, the results of the triplet energy transfer within the cytochrome b6f complex are presented. This part of the work is not conclusive, and some of the problems encountered in experiments are described, as well as a new method of sample degassing developed for this type of study is presented.

  12. Extracellular electron transfer mechanism in Shewanella loihica PV- 4 biofilms formed at indium tin oxide and graphite electrodes

    OpenAIRE

    2013-01-01

    Electroactive biofilms are capable of extracellular electron transfer to insoluble metal oxides and electrodes; such biofilms are relevant to biogeochemistry, bioremediation, and bioelectricity production. We investigated the extracellular electron transfer mechanisms in Shewanella loihica PV-4 viable biofilms grown at indium tin oxide (ITO) and graphite electrodes in potentiostat-controlled electrochemical cells poised at 0.2 V vs. Ag/AgCl. Chronoamperometry and confocal microscopy showed hi...

  13. Experimental estimation of migration and transfer of organic substances from consumer articles to cotton wipes: Evaluation of underlying mechanisms.

    Science.gov (United States)

    Clausen, Per Axel; Spaan, Suzanne; Brouwer, Derk H; Marquart, Hans; le Feber, Maaike; Engel, Roel; Geerts, Lieve; Jensen, Keld Alstrup; Kofoed-Sørensen, Vivi; Hansen, Brian; De Brouwere, Katleen

    2016-01-01

    The aim of this work was to identify the key mechanisms governing transport of organic chemical substances from consumer articles to cotton wipes. The results were used to establish a mechanistic model to improve assessment of dermal contact exposure. Four types of PVC flooring, 10 types of textiles and one type of inkjet printed paper were used to establish the mechanisms and model. Kinetic extraction studies in methanol demonstrated existence of matrix diffusion and indicated the presence of a substance surface layer on some articles. Consequently, the proposed substance transfer model considers mechanical transport from a surface film and matrix diffusion in an article with a known initial total substance concentration. The estimated chemical substance transfer values to cotton wipes were comparable to the literature data (relative transfer ∼ 2%), whereas relative transfer efficiencies from spiked substrates were high (∼ 50%). For consumer articles, high correlation (r(2)=0.92) was observed between predicted and measured transfer efficiencies, but concentrations were overpredicted by a factor of 10. Adjusting the relative transfer from about 50% used in the model to about 2.5% removed overprediction. Further studies are required to confirm the model for generic use.

  14. DNA repair mechanism by photolyase: electron transfer path from the photolyase catalytic cofactor FADH(-) to DNA thymine dimer.

    Science.gov (United States)

    Medvedev, D; Stuchebrukhov, A A

    2001-05-21

    Photolyase is an enzyme that catalyses photorepair of thymine dimers in UV damaged DNA by electron transfer reaction. The structure of the photolyase/DNA complex is unknown at present. Using crystal structure coordinates of the substrate-free enzyme from E. coli, we have recently built a computer molecular model of a thymine dimer docked to photolyase catalytic site and studied molecular dynamics of the system. In this paper, we present analysis of the electronic coupling and electron transfer pathway between the catalytic cofactor FADH(-) and the pyrimidine dimer by the method of interatomic tunneling currents. Electronic structure is treated in the extended Hückel approximation. The root mean square transfer matrix element is about 6 cm(-1), which is consistent with the experimentally determined rate of transfer. We find that electron transfer mechanism responsible for the repair utilizes an unusual folded conformation of FADH(-) in photolyases, in which the isoalloxazine ring of the flavin and the adenine are in close proximity, and the peculiar features of the docked orientation of the dimer. The tunneling currents show explicitly that despite of the close proximity between the donor and acceptor complexes, the electron transfer mechanism between the flavin and the thymine bases is not direct, but indirect, with the adenine acting as an intermediate. These calculations confirm the previously made conclusion based on an indirect evidence for such mechanism.

  15. [Advances in molecular mechanisms of bacterial resistance caused by stress-induced transfer of resistance genes--a review].

    Science.gov (United States)

    Sun, Dongchang; Wang, Bing; Zhu, Lihong

    2013-07-04

    The transfer of resistance gene is one of the most important causes of bacterial resistance. Recent studies reveal that stresses induce the transfer of antibiotic resistance gene through multiple mechanisms. DNA damage stresses trigger bacterial SOS response and induce the transfer of resistance gene mediated by conjugative DNA. Antibiotic stresses induce natural bacterial competence for transformation in some bacteria which lack the SOS system. In addition, our latest studies show that the general stress response regulator RpoS regulates a novel type of resistance gene transfer which is mediated by double-stranded plasmid DNA and occurs exclusively on the solid surface. In this review, we summarized recent advances in SOS dependent and independent stress-induced DNA transfer which is mediated by conjugation and transformation respectively, and the transfer of double-stranded plasmid DNA on the solid surface which is regulated by RpoS. We propose that future work should address how stresses activate the key regulators and how these regulators control the expression of gene transfer related genes. Answers to the above questions would pave the way for searching for candidate targets for controlling bacterial resistance resulted from the transfer of antibiotic genes.

  16. Interspecific hybridization transfers a previously unknown glyphosate resistance mechanism in Amaranthus species.

    Science.gov (United States)

    Gaines, Todd A; Ward, Sarah M; Bukun, Bekir; Preston, Christopher; Leach, Jan E; Westra, Philip

    2012-01-01

    A previously unknown glyphosate resistance mechanism, amplification of the 5-enolpyruvyl shikimate-3-phosphate synthase gene, was recently reported in Amaranthus palmeri. This evolved mechanism could introgress to other weedy Amaranthus species through interspecific hybridization, representing an avenue for acquisition of a novel adaptive trait. The objective of this study was to evaluate the potential for this glyphosate resistance trait to transfer via pollen from A. palmeri to five other weedy Amaranthus species (Amaranthus hybridus, Amaranthus powellii, Amaranthus retroflexus, Amaranthus spinosus, and Amaranthus tuberculatus). Field and greenhouse crosses were conducted using glyphosate-resistant male A. palmeri as pollen donors and the other Amaranthus species as pollen recipients. Hybridization between A. palmeri and A. spinosus occurred with frequencies in the field studies ranging from <0.01% to 0.4%, and 1.4% in greenhouse crosses. A majority of the A. spinosus × A. palmeri hybrids grown to flowering were monoecious and produced viable seed. Hybridization occurred in the field study between A. palmeri and A. tuberculatus (<0.2%), and between A. palmeri and A. hybridus (<0.01%). This is the first documentation of hybridization between A. palmeri and both A. spinosus and A. hybridus.

  17. Experimental investigation and mechanism of critical heat flux enhancement in pool boiling heat transfer with nanofluids

    Science.gov (United States)

    Kamatchi, R.; Venkatachalapathy, S.; Nithya, C.

    2016-11-01

    In the present study, reduced graphene oxide (rGO) is synthesized from graphite using modified Hummer and chemical reduction methods. Various characterizations techniques are carried out to study the in-plane crystallite size, number of layers, presence of functional groups and surface morphology. Different concentrations of 0.01, 0.1, and 0.3 g/l of rGO/water nanofluids are prepared by dispersing the flakes in DI water. The colloidal stability of 0.3 g/l concentration is measured after 5 days using Zetasizer and found to be stable. The rGO/water nanofluids are then used to study the effect on the enhancement of critical heat flux (CHF) in pool boiling heat transfer. Results indicate an enhancement in CHF ranging from 145 to 245 % for the tested concentrations. The mechanisms of CHF enhancement are analyzed based on surface wettability, surface roughness, and porous layer thickness. The macrolayer dryout model sufficiently supports the mechanism of CHF enhancement of thin wire with rGO deposits, which is not reported yet.

  18. Drug transport mechanism of P-glycoprotein monitored by single molecule fluorescence resonance energy transfer

    Science.gov (United States)

    Ernst, S.; Verhalen, B.; Zarrabi, N.; Wilkens, S.; Börsch, M.

    2011-03-01

    In this work we monitor the catalytic mechanism of P-glycoprotein (Pgp) using single-molecule fluorescence resonance energy transfer (FRET). Pgp, a member of the ATP binding cassette family of transport proteins, is found in the plasma membrane of animal cells where it is involved in the ATP hydrolysis driven export of hydrophobic molecules. When expressed in the plasma membrane of cancer cells, the transport activity of Pgp can lead to the failure of chemotherapy by excluding the mostly hydrophobic drugs from the interior of the cell. Despite ongoing effort, the catalytic mechanism by which Pgp couples MgATP binding and hydrolysis to translocation of drug molecules across the lipid bilayer is poorly understood. Using site directed mutagenesis, we have introduced cysteine residues for fluorescence labeling into different regions of the nucleotide binding domains (NBDs) of Pgp. Double-labeled single Pgp molecules showed fluctuating FRET efficiencies during drug stimulated ATP hydrolysis suggesting that the NBDs undergo significant movements during catalysis. Duty cycle-optimized alternating laser excitation (DCO-ALEX) is applied to minimize FRET artifacts and to select the appropriate molecules. The data show that Pgp is a highly dynamic enzyme that appears to fluctuate between at least two major conformations during steady state turnover.

  19. Finite element analysis of stress transfer mechanism from matrix to the fiber in SWCN reinforced nanocomposites

    Science.gov (United States)

    Günay, E.

    2017-02-01

    This study defined as micromechanical finite element (FE) approach examining the stress transfer mechanism in single-walled carbon nanotube (SWCN) reinforced composites. In the modeling, 3D unit-cell method was evaluated. Carbon nanotube reinforced composites were modeled as three layers which comprises CNT, interface and matrix material. Firstly; matrix, fiber and interfacial materials all together considered as three layered cylindrical nanocomposite. Secondly, the cylindrical matrix material was assumed to be isotropic and also considered as a continuous medium. Then, fiber material was represented with zigzag type SWCNs. Finally, SWCN was combined with the elastic medium by using springs with different constants. In the FE modeling of SWCN reinforced composite model springs were modeled by using ANSYS spring damper element COMBIN14. The developed interfacial van der Waals interaction effects between the continuous matrix layer and the carbon nanotube fiber layer were simulated by applying these various spring stiffness values. In this study, the layered composite cylindrical FE model was presented as the equivalent mechanical properties of SWCN structures in terms of Young's modulus. The obtained results and literature values were presented and discussed. Figures, 16, 17, and 18 of the original article PDF file, as supplied to AIP Publishing, were affected by a PDF-processing error. Consequently, a solid diamond symbol appeared instead of a Greek tau on the y axis labels for these three figures. This article was updated on 17 March 2017 to correct the PDF-processing error, with the scientific content remaining unchanged.

  20. Mechanisms for Electron Transfer Through Pili to Fe(III) Oxide in Geobacter

    Energy Technology Data Exchange (ETDEWEB)

    Lovley, Derek R. [Univ. of Massachusetts, Amherst, MA (United States)

    2015-03-09

    The purpose of these studies was to aid the Department of Energy in its goal of understanding how microorganisms involved in the bioremediation of metals and radionuclides sustain their activity in the subsurface. This information is required in order to incorporate biological processes into decision making for environmental remediation and long-term stewardship of contaminated sites. The proposed research was designed to elucidate the mechanisms for electron transfer to Fe(III) oxides in Geobacter species because Geobacter species are abundant dissimilatory metal-reducing microorganisms in a diversity of sites in which uranium is undergoing natural attenuation via the reduction of soluble U(VI) to insoluble U(IV) or when this process is artificially stimulated with the addition of organic electron donors. This study investigated the novel, but highly controversial, concept that the final conduit for electron transfer to Fe(III) oxides are electrically conductive pili. The specific objectives were to: 1) further evaluate the conductivity along the pili of Geobacter sulfurreducens and related organisms; 2) determine the mechanisms for pili conductivity; and 3) investigate the role of pili in Fe(III) oxide reduction. The studies demonstrated that the pili of G. sulfurreducens are conductive along their length. Surprisingly, the pili possess a metallic-like conductivity similar to that observed in synthetic organic conducting polymers such as polyaniline. Detailed physical analysis of the pili, as well as studies in which the structure of the pili was genetically modified, demonstrated that the metallic-like conductivity of the pili could be attributed to overlapping pi-pi orbitals of aromatic amino acids. Other potential mechanisms for conductivity, such as electron hopping between cytochromes associated with the pili were definitively ruled out. Pili were also found to be essential for Fe(III) oxide reduction in G. metallireducens. Ecological studies demonstrated

  1. Influence of Coherent Tunneling and Incoherent Hopping on the Charge Transfer Mechanism in Linear Donor-Bridge-Acceptor Systems.

    Science.gov (United States)

    Li, Guangqi; Govind, Niranjan; Ratner, Mark A; Cramer, Christopher J; Gagliardi, Laura

    2015-12-17

    The mechanism of charge transfer has been observed to change from tunneling to hopping with increasing numbers of DNA base pairs in polynucleotides and with the length of molecular wires. The aim of this paper is to investigate this transition by examining the population dynamics using a tight-binding Hamiltonian with model parameters to describe a linear donor-bridge-acceptor (D-B-A) system. The model includes a primary vibration and an electron-vibration coupling at each site. A further coupling of the primary vibration with a secondary phonon bath allows the system to dissipate energy to the environment and reach a steady state. We apply the quantum master equation (QME) approach, based on second-order perturbation theory in a quantum dissipative system, to examine the dynamical processes involved in charge-transfer and follow the population transfer rate at the acceptor, ka, to shed light on the transition from tunneling to hopping. With a small tunneling parameter, V, the on-site population tends to localize and form polarons, and the hopping mechanism dominates the transfer process. With increasing V, the population tends to be delocalized and the tunneling mechanism dominates. The competition between incoherent hopping and coherent tunneling governs the mechanism of charge transfer. By varying V and the total number of sites, we also examine the onset of the transition from tunneling to hopping with increasing length.

  2. Photoinduced proton transfer coupled with energy transfer: Mechanism of sensitized luminescence of terbium ion by salicylic acid doped in polymer.

    Science.gov (United States)

    Misra, Vinita; Mishra, Hirdyesh

    2008-06-28

    In the present work, excited state intramolecular proton transfer (ESIPT) in salicylic acid (SA) monoanion and subsequent sensitization of Tb(3+) ion in polyvinyl alcohol (PVA) have been studied. The study has been carried out both by steady state and time domain fluorescence measurement techniques at room temperature. It is found that the SA completely ionizes and exists as monoanion in PVA. It exhibits a large Stokes shifted blue emission (10 000 cm(-1)) due to ESIPT and shows a decay time of 6.85 ns. On the other hand, Tb(3+) ion shows a very weak green emission and a decay time of approximately 641 mus in PVA film. Upon incorporating Tb(3+) ion in SA doped PVA film, both intensity and decay time of SA decrease and sensitized emission from Tb(+3) ion along with 3.8 mus rise time is observed. Energy transfer is found to take place both from excited singlet as well as triplet states. A brief description of the properties of the present system from the viewpoint of luminescent solar collector material is addressed.

  3. Mechanical energy transfers across lower limb segments during stair ascent and descent in young and healthy older adults.

    Science.gov (United States)

    Novak, Alison C; Li, Qingguo; Yang, Shuozhi; Brouwer, Brenda

    2011-07-01

    Older adults present with altered movement patterns during stair negotiation although the extent to which modifications in pattern and speed influence mechanical efficiency is unknown. This study evaluated mechanical energy transfers attributed to active force production during stair negotiation in young and older adults to provide insight into age-related changes in mechanical efficiency. Secondary analysis on data obtained from 23 young (23.7±3.0 years) and 32 older adults (67.0±8.2 years) during self-paced stair ascent and descent was conducted. Mechanical energy expenditures (MEE) during concentric transfer, eccentric transfer and no-transfer phases were determined for the ankle, knee and hip power profiles in the sagittal plane. Mechanical energy compensations (MEC) were also determined at each joint. During ascent, MEEs were similar for young and older adults although older adults compensated ankle muscles to a lesser extent during concentric muscle action. Controlling for cadence eliminated this difference. During descent, older adults demonstrated lower energy expenditures at the ankle and hip and similar expenditures at the knee compared to young adults. Changes in joint MEE in the older group resulted in reduced energy compensation at the ankle during concentric and eccentric activity and at the knee during eccentric activity. These age-related differences in mechanical energy transfers and related adjustments in MEC were not a function of the slower cadence in older adults and suggest a loss in mechanical efficiency. These results provide a benchmark against which physical impairments in older adults may be explored.

  4. Insights into the Tunnel Mechanism of Cholesteryl Ester Transfer Protein through All-atom Molecular Dynamics Simulations.

    Science.gov (United States)

    Lei, Dongsheng; Rames, Matthew; Zhang, Xing; Zhang, Lei; Zhang, Shengli; Ren, Gang

    2016-07-01

    Cholesteryl ester transfer protein (CETP) mediates cholesteryl ester (CE) transfer from the atheroprotective high density lipoprotein (HDL) cholesterol to the atherogenic low density lipoprotein cholesterol. In the past decade, this property has driven the development of CETP inhibitors, which have been evaluated in large scale clinical trials for treating cardiovascular diseases. Despite the pharmacological interest, little is known about the fundamental mechanism of CETP in CE transfer. Recent electron microscopy (EM) experiments have suggested a tunnel mechanism, and molecular dynamics simulations have shown that the flexible N-terminal distal end of CETP penetrates into the HDL surface and takes up a CE molecule through an open pore. However, it is not known whether a CE molecule can completely transfer through an entire CETP molecule. Here, we used all-atom molecular dynamics simulations to evaluate this possibility. The results showed that a hydrophobic tunnel inside CETP is sufficient to allow a CE molecule to completely transfer through the entire CETP within a predicted transfer time and at a rate comparable with those obtained through physiological measurements. Analyses of the detailed interactions revealed several residues that might be critical for CETP function, which may provide important clues for the effective development of CETP inhibitors and treatment of cardiovascular diseases.

  5. Review of the correlation developments and a new concept based on mixing mechanism for heat transfer enhancement of spacer grids

    Energy Technology Data Exchange (ETDEWEB)

    Mao, H.; Yang, B.W.; Liu, X. [Xi' an Jiaotong Univ., Shaanxi (China). Science and Technology Center for Advanced Nuclear Fuel Research

    2016-07-15

    Spacer grids could cause heat transfer enhancement both at the spacer grid regions and downstream of the spacer grids as a result of mixing promoted by the spacer grids in the rod bundle. This phenomenon has been demonstrated by many experiments, and several correlations have been developed based on these experimental data. This paper gives a review of the grid-enhanced heat transfer correlation developments in single phase flow. Following the exploration of the correlation development history, a predictive formulation of grid-enhanced heat transfer in single phase flow is established taking into account the effect of both swirl flow and crossflow. With emphasis on modeling of the mixing mechanism associated with the mixing vane grid, the new correlation could better reflect the physical process of the heat transfer augmentation, while a large number of experimental data are needed to determine the coefficients of the new correlation.

  6. Rules and trends of metal cation driven hydride-transfer mechanisms in metal amidoboranes.

    Science.gov (United States)

    Kim, Dong Young; Lee, Han Myoung; Seo, Jongcheol; Shin, Seung Koo; Kim, Kwang S

    2010-01-01

    Group I and II metal amidoboranes have been identified as one of the promising families of materials for efficient H(2) storage. However, the underlying mechanism of the dehydrogenation of these materials is not well understood. Thus, the mechanisms and kinetics of H(2) release in metal amidoboranes are investigated using high level ab initio calculations and kinetic simulations. The metal plays the role of catalyst for the hydride transfer with formation of a metal hydride intermediate towards the dehydrogenation. In this process, with increasing ionic character of the metal hydride bond in the intermediate, the stability of the intermediate decreases, while the dehydrogenation process involving ionic recombination of the hydridic H with the protic H proceeds with a reduced barrier. Such correlations lead directly to a U-shaped relationship between the activation energy barrier for H(2) elimination and the ionicity of metal hydride bond. Oligomerized intermediates are formed by the chain reaction of the size-driven catalytic effects of metals, competing with the non-oligomerization pathway. The kinetic rates at low temperatures are determined by the maximum barrier height in the pathway (a Lambda-shaped relation), while those at moderately high temperatures are determined by most of multiple-barriers. This requires kinetic simulations. At the operating temperatures of proton exchange membrane fuel cells, the metal amidoboranes with lithium and sodium release H(2) along both oligomerization and non-oligomerization paths. The sodium amidoboranes show the most accelerated rates, while others release H(2) at similar rates. In addition, we predict that the novel metal amidoborane-based adducts and mixtures would release H(2) with accelerated rates as well as with enhanced reversibility. This comprehensive study is useful for further developments of active metal-based better hydrogen storage materials.

  7. Nonlinear observer-based Lyapunov boundary control of distributed heat transfer mechanisms for membrane distillation plant

    KAUST Repository

    Eleiwi, Fadi

    2016-09-19

    This paper presents a nonlinear observer-based Lyapunov control for a membrane distillation (MD) process. The control considers the inlet temperatures of the feed and the permeate solutions as inputs, transforming it to boundary control process, and seeks to maintain the temperature difference along the membrane boundaries around a sufficient level to promote water production. MD process is modeled with advection diffusion equation model in two dimensions, where the diffusion and convection heat transfer mechanisms are best described. Model analysis, effective order reduction and parameters physical interpretation, are provided. Moreover, a nonlinear observer has been designed to provide the control with estimates of the temperature evolution at each time instant. In addition, physical constraints are imposed on the control to have an acceptable range of feasible inputs, and consequently, better energy consumption. Numerical simulations for the complete process with real membrane parameter values are provided, in addition to detailed explanations for the role of the controller and the observer. (C) 2016 Elsevier Ltd. All rights reserved.

  8. The role of containerships as transfer mechanisms of marine biofouling species.

    Science.gov (United States)

    Davidson, Ian C; Brown, Christopher W; Sytsma, Mark D; Ruiz, Gregory M

    2009-10-01

    Fouling of ships is an important historical and enduring transfer mechanism of marine nonindigenous species (NIS). Although containerships have risen to the forefront of global maritime shipping since the 1950s, few studies have directly sampled fouling communities on their submerged surfaces, and little is known about differences in the fouling characteristics among commercial ship types. Twenty-two in-service containerships at the Port of Oakland (San Francisco Bay, California) were sampled to test the hypothesis that the extent and taxonomic richness of fouling would be low on this type of ship, resulting from relatively fast speeds and short port durations. The data showed that the extent of macroorganisms (invertebrates and algae) was indeed low, especially across the large surface areas of the hull. Less than 1% of the exposed hull was colonized for all apart from one vessel. These ships had submerged surface areas of >7000 m(2), and fouling coverage on this area was estimated to be dry dock block areas did not support many organisms, despite little antifouling deterrence in some cases. Comparisons with previous studies suggest that the accumulation of fouling on containerships may be lower than on other ship types (eg bulkers and general cargo vessels), but more data are needed to determine the hierarchy of factors contributing to differences in the extent of macrofouling and non-native species vector risks within the commercial fleet.

  9. Verifying Interlevel Relations within Organizational Models

    NARCIS (Netherlands)

    Jonker, C.M.; Sharpanskykh, A.; Treur, J.; Yolum, P.

    2006-01-01

    In this paper the formal theoretical basis used for transformation of a non-executable external behavioral specification for an organizational model into an executable format, required for enabling verification techniques, is explained in detail.

  10. Verifying Interlevel Relations within Organizational Models

    NARCIS (Netherlands)

    Jonker, C.M.; Sharpanskykh, A.; Treur, J.; Yolum, P.

    2006-01-01

    In this paper the formal theoretical basis used for transformation of a non-executable external behavioral specification for an organizational model into an executable format, required for enabling verification techniques, is explained in detail.

  11. Fluorobenzo[a]pyrenes as probes of the mechanism of cytochrome P450-catalyzed oxygen transfer in aromatic oxygenations

    NARCIS (Netherlands)

    Mulder, P.P.J.; Devanesan, P.; Alem, van K.; Lodder, G.; Rogan, E.G.; Cavalieri, E.L.

    2003-01-01

    Fluoro substitution of benzo[a]pyrene (BP) has been very useful in determining the mechanism of cytochrome P450-catalyzed oxygen transfer in the formation of 6-hydroxyBP (6-OHBP) and its resulting BP 1,6-, 3,6-, and 6,12-diones. We report here the metabolism of 1-FBP and 3-FBP, and PM3 calculations

  12. Implementation of a Modular Hands-on Learning Pedagogy: Student Attitudes in a Fluid Mechanics and Heat Transfer Course

    Science.gov (United States)

    Burgher, J. K.; Finkel, D.; Adesope, O. O.; Van Wie, B. J.

    2015-01-01

    This study used a within-subjects experimental design to compare the effects of learning with lecture and hands-on desktop learning modules (DLMs) in a fluid mechanics and heat transfer class. The hands-on DLM implementation included the use of worksheets and one of two heat exchangers: an evaporative cooling device and a shell and tube heat…

  13. Implementation of a Modular Hands-on Learning Pedagogy: Student Attitudes in a Fluid Mechanics and Heat Transfer Course

    Science.gov (United States)

    Burgher, J. K.; Finkel, D.; Adesope, O. O.; Van Wie, B. J.

    2015-01-01

    This study used a within-subjects experimental design to compare the effects of learning with lecture and hands-on desktop learning modules (DLMs) in a fluid mechanics and heat transfer class. The hands-on DLM implementation included the use of worksheets and one of two heat exchangers: an evaporative cooling device and a shell and tube heat…

  14. Dynamics and mechanisms of interfacial photoinduced electron transfer processes of third generation photovoltaics and photocatalysis.

    Science.gov (United States)

    Bauer, Christophe; Teuscher, Joël; Brauer, Jan C; Punzi, Angela; Marchioro, Arianna; Ghadiri, Elham; De Jonghe, Jelissa; Wielopolski, Mateusz; Banerji, Natalie; Moser, Jacques E

    2011-01-01

    Photoinduced electron transfer (PET) across molecular/bulk interfaces has gained attention only recently and is still poorly understood. These interfaces offer an excellent case study, pertinent to a variety of photovoltaic systems, photo- and electrochemistry, molecular electronics, analytical detection, photography, and quantum confinement devices. They play in particular a key role in the emerging fields of third-generation photovoltaic energy converters and artificial photosynthetic systems aimed at the production of solar fuels, creating a need for a better understanding and theoretical treatment of the dynamics and mechanisms of interfacial PET processes. We aim to achieve a fundamental understanding of these phenomena by designing experiments that can be used to test and alter modern theory and computational modeling. One example illustrating recent investigations into the details of the ultrafast processes that form the basis for photoinduced charge separation at a molecular/bulk interface relevant to dye-sensitized solar cells is briefly presented here: Kinetics of interfacial PET and charge recombination processes were measured by fs and ns transient spectroscopy in a heterogeneous donor-bridge-acceptor (D-B-A) system, where D is a Ru(II)(terpyridyl-PO3)(NCS)3 complex, B an oligo-p-phenylene bridge, and A nanocrystalline TiO2. The forward ET reaction was found to be faster than vibrational relaxation of the vibronic excited state of the donor. Instead, the back ET occurred on the micros time scale and involved fully thermalized species. The D-A distance dependence of the electron transfer rate was studied by varying the number of p-phenylene units contained in the bridge moiety. The remarkably low damping factor beta = 0.16 angstroms(-1) observed for the ultrafast charge injection from the dye excited state into the conduction band of TiO2 is attributed to the coupling of electron tunneling with nonequilibrium vibrations redistributed on the bridge

  15. Studies on the mechanisms underlying the transfer of calcium and phosphate from bone to blood

    Energy Technology Data Exchange (ETDEWEB)

    Brommage, Robert J. Jr.

    1978-01-01

    The skeleton is recognized as a crucial organ in the minute-to-minute regulation of the blood levels of calcium and phosphate. The fluxes of calcium and phosphate to and from bone greatly exceed the entry and exit of these ions occurring in the intestine and kidneys. Parathyroid hormone, calcitonin, and 1,25-dihydroxyvitamin D/sub 3/ (1,25-(OH)/sub 2/D/sub 3/ are known to influence the transfer of calcium and phosphate from bone to blood. Three mechanisms have been proposed to explain the hormonal control of the calcium and phosphate effluxes from bone. The concept of a bone membrane maintaining a distinct bone extracellular fluid composition has led to the pump and pH gradient theories. An alternate solubilizer theory proposes that bone cells secrete a substance which increases the solubility of the bone mineral. The bone membrane concept was originally proposed to explain the presence of the apparent anomalously high concentrations of potassium in the bone extracellular fluid. However, the available evidence does not allow an unambiguous decision concerning the presence of a bone membrane. Calvarial lactate production was unaltered by 1,25-(OH)/sub 2/D/sub 3/ treatment and consequently 1,25-(OH)/sub 2/D/sub 3/ does not appear to promote the mobilization of bone mineral through a lactate-mediated pH gradient mechanism. 1,25-(OH)/sub 2/D/sub 3/ did increase the solubility of non-vital bone, clearly demonstrating that the solubilizer mechanism is at least partially responsible for the mobilization of bone mineral and the regulation of blood levels of calcium and phosphate. Vitamin D-deficient female rats fed a 0.2% calcium, 0.4% phosphorous diet and supplemented with daily injections of 0.75 pmole of 1,25-(OH)/sub 2/D/sub 3/ were shown to be capable of bearing young. When the injections of 1,25-(OH)/sub 2/D/sub 3/ were terminated at delivery, the dams and pups showed signs of vitamin D deficiency approximately one week later.

  16. Mechanism of Radical Transfer During Photoactivation of the flavoprotein DNA Photolyase

    Science.gov (United States)

    Lukacs, Andras; Vos, Marten H.; Eker, André P.; Byrdin, Martin; Brettel, Klaus

    Ultrafast transient absorption experiments on mutant DNA photolyase imply that radical transfer along a chain of tryptophan residues is substantially faster than the ˜30-ps photo-induced electron-transfer event initiated by excitation of the radical flavin FADH•.

  17. Energy transfer mechanism of GdPO4: RE3+ (RE= Tb, Tm) under VUV-UV excitation

    Institute of Scientific and Technical Information of China (English)

    LI; Lan; LI; Guangmin; WANG; Dajian; TAO; Yi; ZHANG; Xiaosong

    2006-01-01

    Polycrystal of GdPO4:RE3+(RE=Tb, Tm) phosphors were prepared by solid- state method. Vacuum ultraviolet excitation and emission spectrum and the energy transfer mechanism between the host and dopants of Tb3+ and Tm3+ were investigated respectively. The emission of Gd3+ at 313 nm was enhanced by the strong absorption of CTS of Tm3+ at 180 nm in GdPO4: Tm. It has also been concluded that the excitation of Gd3+ is transferred to Tb3+ and then emission peaks of 5DJ→7FJ of T b3 + were observed.

  18. Serial transfer of a transplantable tumor: implications for Marek's vaccine mechanisms.

    Science.gov (United States)

    Hunt, Henry D; Dunn, John R

    2011-06-01

    The mechanism of Marek's disease (MD) vaccination to prevent the lymphoproliferative disease in chickens is not well understood. It is generally recognized that vaccination prevents disease, including the induction of T-cell tumors, but it does not prevent the pathogenic virus from infecting and replicating in the vaccinated host, nor does it prevent bird to bird spread of the oncogenic virus. The stage at which the vaccinated immune system intervenes in the process from infection to the induction of tumors remains obscure. Using a transplantable tumor induced by the Md5 strain of MD virus (MDV), we show that CVI988 vaccination does not prevent the induction of transplantable tumors in the 15I(5) x 7(1) chicken line. A monoclonal tumor with a V beta 1 T-cell receptor spectratype of 207 base pairs was used to follow the transplantable tumor in serial passages in vivo. This transplantable tumor could be passed in vaccinated birds. The length of time between vaccination and challenge (5 to 12 days) had little or no influence on the ability to transfer the tumor. There was variability in the manifestation of the disease produced by the transplanted tumor. Some chickens presented as normal but were still capable of transmitting the transplanted tumor to newly vaccinated recipients via their blood. This indicates that some chickens can control, but not eliminate, the tumor. The variables inducing health or disease in the challenged chickens remain obscure, but environmental or other factors likely depress the immune system allowing the tumor to overwhelm the immune system.

  19. O Processo de Aprendizagem Interníveis e o Desenvolvimento de CompetênciasThe Interlevel Learning Process and the Development of CompetencesEl Proceso de Aprendizage Interniveles y el Desarrollo de Competencias

    Directory of Open Access Journals (Sweden)

    ANTONELLO, Claudia Simone

    2007-12-01

    Full Text Available RESUMOEste estudo teve por objetivo discutir e explorar as articulações entre aprendizagem organizacional e o desenvolvimento de competências individuais, funcionais e organizacionais. Trata-se de uma pesquisa qualitativa longitudinal que investigou três grupos de gerentes sobre os processos de aprendizagem nos níveis individual, grupal e organizacional. Os resultados obtidos auxiliaram na identificação da difusão de competências por meio do trabalho interativo e em equipe; pelo intercâmbio de experiências com especialistas; em reuniões; desenvolvimento de projetos e de maneira informal. Os resultados também permitiram propor a noção de aprendizagem organizacional e o desenvolvimento de competências por interníveis. O principal obstáculo a ser superado para realizar tal integração é substituir a tendência de se pensar em termos de categorias fixas de aprendizagem e trabalhar com a noção de processos dinâmicos, no qual o nível grupal é fundamental. O artigo conclui sugerindo uma agenda para estudos futuros sobre as conexões entre os processos de aprendizagem organizacional e o desenvolvimento de competências.ABSTRACTThis study aimed at discussing and exploring the connections between organizational learning and the development of individual, functional and organizational competences. This longitudinal qualitative research investigated three groups of managers about the learning processes in the individual, group and organizational levels. The results allowed the identification of the diffusion of competences through the interactive and team work; through the exchange of experiences with experts; in meetings; in the development of projects and in an informal way. The results also allowed the proposition of the notion of organizational learning and competence development for inter-levels. The main obstacle to be overcome to achieve such integration is to substitute the tendency of thinking in terms of fixed categories

  20. Experimental determination of the key heat transfer mechanisms in pharmaceutical freeze-drying.

    Science.gov (United States)

    Ganguly, Arnab; Nail, Steven L; Alexeenko, Alina

    2013-05-01

    The study is aimed at quantifying the relative contribution of key heat transfer modes in lyophilization. Measurements of vial heat transfer rates in a laboratory-scale freeze-dryer were performed using pure water, which was partially sublimed under various conditions. The separation distance between the shelf and the vial was systematically varied, and sublimation rates were determined gravimetrically. The heat transfer rates were observed to be independent of separation distance between the vial and the shelf and linearly dependent on pressure in the free molecular flow limit, realized at low pressures (120 mTorr), heat transfer rates were independent of pressure and inversely proportional to separation distance. Previous heat transfer studies in conventional freeze-drying cycles have attributed a dominant portion of the total heat transfer to radiation, the rest to conduction, whereas convection has been found to be insignificant. Although the measurements reported here confirm the significance of the radiative and gas conduction components, the convective component has been found to be comparable to the gas conduction contribution at pressures greater than 100 mTorr. The current investigation supports the conclusion that the convective component of the heat transfer cannot be ignored in typical laboratory-scale freeze-drying conditions. Copyright © 2013 Wiley Periodicals, Inc.

  1. Spectroscopic evidence of resonance energy transfer mechanism from PbS QDs to bulk silicon

    Directory of Open Access Journals (Sweden)

    Bernechea M.

    2013-06-01

    Full Text Available In this work, we study the efficiency of the resonance energy transfer from PbS quantum dots to bulk silicon. We present spectroscopic evidence that resonance energy transfer from PbS quantum dots to bulk silicon can be an efficient process for separation distances below 12 nm. Temperature measurements are also presented for PbS quantum dots deposited on glass and silicon with 5 nm and 20nm spacer thicknesses substrates. Our findings show that the resonance energy transfer efficiency remains constant over the 50K to 300K temperature range.

  2. Generic Mechanism of Optimal Energy Transfer Efficiency: A Scaling Theory of the Mean First Passage Time in Exciton Systems

    CERN Document Server

    Wu, Jianlan; Silbey, Robert J

    2013-01-01

    An asymptotic scaling theory is presented using the conceptual basis of trapping-free subspace (i.e., orthogonal subspace) to establish the generic mechanism of optimal efficiency of excitation energy transfer (EET) in light-harvesting systems. Analogous to Kramers' turnover in classical rate theory, the enhanced efficiency in the weak damping limit and the suppressed efficiency in the strong damping limit define two asymptotic scaling regimes, which are interpolated to predict the functional form of optimal efficiency of the trapping-free subspace. In the presence of static disorder, the scaling law of transfer time with respect to dephasing rate changes from linear to square root, suggesting a weaker dependence on the environment. Though formulated in the context of EET, the analysis and conclusions apply in general to open quantum processes, including electron transfer, fluorescence emission, and heat conduction.

  3. Exploring the Mechanisms of Knowledge Transfer in University-Industry Collaborations

    DEFF Research Database (Denmark)

    Nielsen, Christian; Cappelen, Katja

    2014-01-01

    respondents have been involved in collaborative projects, such as student-industry cooperation or collaboration projects between scientists and businesses. This research shows that to secure real value adding through knowledge transfer in universityindustry collaboration projects, it is important...

  4. Tailoring Macroscale Response of Mechanical and Heat Transfer Systems by Topology Optimization of Microstructural Details

    DEFF Research Database (Denmark)

    Alexandersen, Joe; Lazarov, Boyan Stefanov

    2015-01-01

    -contrast material parameters is proposed to alleviate the high computational cost associated with solving the discrete systems arising during the topology optimization process. Problems within important engineering areas, heat transfer and linear elasticity, are considered for exemplifying the approach...

  5. Client-vendor knowledge transfer mechanisms in the context of information systems outsourcing

    CSIR Research Space (South Africa)

    Smuts, H

    2015-08-01

    Full Text Available High levels of shared knowledge can positively influence outsourcing performance and the combination of processes designed to transfer explicit and tacit knowledge, has the most influence on the level of shared knowledge. Some organisations...

  6. Temporary transfers of land and risk-coping mechanisms in Thailand

    OpenAIRE

    Promsopha, Gwendoline

    2016-01-01

    This paper uses data collected in Thailand among permanent rural-urban migrants to analyse the motivations in land temporary transfers such as free loans or rentals. Land transfers are here looked at in a continuum and categorized according to three characteristics: the nature of the relationship between the parties of the exchange, the monetary nature of the payment as well as its explicit or imlicit nature. This methodology allows a richer typology than traditionnally used in empiric litera...

  7. Enhancement of Heat and Mass Transfer in Mechanically Contstrained Ultra Thin Films

    Energy Technology Data Exchange (ETDEWEB)

    Kevin Drost; Jim Liburdy; Brian Paul; Richard Peterson

    2005-01-01

    Oregon State University (OSU) and the Pacific Northwest National Laboratory (PNNL) were funded by the U.S. Department of Energy to conduct research focused on resolving the key technical issues that limited the deployment of efficient and extremely compact microtechnology based heat actuated absorption heat pumps and gas absorbers. Success in demonstrating these technologies will reduce the main barriers to the deployment of a technology that can significantly reduce energy consumption in the building, automotive and industrial sectors while providing a technology that can improve our ability to sequester CO{sub 2}. The proposed research cost $939,477. $539,477 of the proposed amount funded research conducted at OSU while the balance ($400,000) was used at PNNL. The project lasted 42 months and started in April 2001. Recent developments at the Pacific Northwest National Laboratory and Oregon State University suggest that the performance of absorption and desorption systems can be significantly enhanced by the use of an ultra-thin film gas/liquid contactor. This device employs microtechnology-based structures to mechanically constrain the gas/liquid interface. This technology can be used to form very thin liquid films with a film thickness less then 100 microns while still allowing gas/liquid contact. When the resistance to mass transfer in gas desorption and absorption is dominated by diffusion in the liquid phase the use of extremely thin films (<100 microns) for desorption and absorption can radically reduce the size of a gas desorber or absorber. The development of compact absorbers and desorbers enables the deployment of small heat-actuated absorption heat pumps for distributed space heating and cooling applications, heat-actuated automotive air conditioning, manportable cooling, gas absorption units for the chemical process industry and the development of high capacity CO{sub 2} absorption devices for CO{sub 2} collection and sequestration. The energy

  8. Transfer matrix approach to the statistical mechanics of single polymer molecules

    Science.gov (United States)

    Livadaru, Lucian

    In this work, we demonstrate, implement and critically assess the capabilities and the limitations of the Transfer Matrix (TM) method to the statistical mechanics of single polymer molecules within their classical models. We first show how the TM can be employed with the help of computers, to provide highly accurate results for the configurational statistics of polymers in theta-conditions. We proceed gradually from simple to complex polymer models, analyzing their statistical properties as we vary the model parameters. In the order of their complexity, the polymer models approached in this work are: (i) the freely jointed chain (FJC); (ii) the freely rotating chain (FRC); (iii) the rotational isomeric state (RIS) model with and without energy parameters; (iv) the continuous rotational potential model (for n-alkanes); (v) an interacting chain model (ICM) with virtual bonds for poly(ethylene glycol)(PEG). The Statistical Mechanics of polymer chains is carried out in both the Helmholtz and Gibbs ensembles, depending on the quantities of interest. In the Helmholtz ensemble the polymer's Green function is generally a function of both the spatial coordinates and orientations of chain bonds. In the Gibbs ensemble its arguments are the bond orientations with respect to an applied external force. This renders the latter ensemble more feasible for an accurate study of the mechanical properties of the mentioned models. We adapt the TM method to study statistical and thermodynamical properties of various models, including: chain end distribution functions, characteristic ratios, mean square radius of gyration, Kuhn length, static structure factor, pair correlation function, force-extension curves, Helmholtz and Gibbs free energies. For all cases, the TM calculations yielded accurate results for all these quantities. Wherever possible, we compared our findings to other results, theoretical or experimental in literature. A great deal of effort was focused on precise

  9. Vapor-induced transfer of bacteria in the absence of mechanical disturbances

    KAUST Repository

    Ayoub, George M.

    2014-09-01

    Transfer of bacteria through water vapor generated at moderate temperatures (30-50. °C) in passive solar stills, has scarcely been reported. The objective of this research was to investigate whether bacteria in highly humid atmospheres can get transferred through water vapor in the absence of other transfer media to find their way to the distillate. To achieve this objective, passive solar reactors were chosen as the medium for experimentation, and distillation experiments were conducted by spiking a pure bacterial culture (Escherichia coli, Klebsiella pneumonia or Enterococcus faecalis) in low mineralized water vs. highly mineralized water in the dark under moderate temperatures ranges (30-35. °C, 40-45. °C and 50-55. °C). Results showed that bacteria indeed get transferred with the vapor in stills when not exposed to solar U.V. radiation. The trends observed were adequately explained by a zero-modified Hurdle-Poisson model. The numbers of cultivable bacterial colonies transferred were bacterial size, water type and temperature dependent with highest transfers occurring in E. faecalis>. E. coli>. K. pneumonia at the 40. °C range in low mineralized water. Proper management strategies are recommended to achieve complete disinfection in solar stills. © 2014 Elsevier B.V.

  10. Redox potential of the terminal quinone electron acceptor QB in photosystem II reveals the mechanism of electron transfer regulation.

    Science.gov (United States)

    Kato, Yuki; Nagao, Ryo; Noguchi, Takumi

    2016-01-19

    Photosystem II (PSII) extracts electrons from water at a Mn4CaO5 cluster using light energy and then transfers them to two plastoquinones, the primary quinone electron acceptor QA and the secondary quinone electron acceptor QB. This forward electron transfer is an essential process in light energy conversion. Meanwhile, backward electron transfer is also significant in photoprotection of PSII proteins. Modulation of the redox potential (Em) gap of QA and QB mainly regulates the forward and backward electron transfers in PSII. However, the full scheme of electron transfer regulation remains unresolved due to the unknown Em value of QB. Here, for the first time (to our knowledge), the Em value of QB reduction was measured directly using spectroelectrochemistry in combination with light-induced Fourier transform infrared difference spectroscopy. The Em(QB (-)/QB) was determined to be approximately +90 mV and was virtually unaffected by depletion of the Mn4CaO5 cluster. This insensitivity of Em(QB (-)/QB), in combination with the known large upshift of Em(QA (-)/QA), explains the mechanism of PSII photoprotection with an impaired Mn4CaO5 cluster, in which a large decrease in the Em gap between QA and QB promotes rapid charge recombination via QA (-).

  11. Redox potential of the terminal quinone electron acceptor QB in photosystem II reveals the mechanism of electron transfer regulation

    Science.gov (United States)

    Kato, Yuki; Nagao, Ryo; Noguchi, Takumi

    2016-01-01

    Photosystem II (PSII) extracts electrons from water at a Mn4CaO5 cluster using light energy and then transfers them to two plastoquinones, the primary quinone electron acceptor QA and the secondary quinone electron acceptor QB. This forward electron transfer is an essential process in light energy conversion. Meanwhile, backward electron transfer is also significant in photoprotection of PSII proteins. Modulation of the redox potential (Em) gap of QA and QB mainly regulates the forward and backward electron transfers in PSII. However, the full scheme of electron transfer regulation remains unresolved due to the unknown Em value of QB. Here, for the first time (to our knowledge), the Em value of QB reduction was measured directly using spectroelectrochemistry in combination with light-induced Fourier transform infrared difference spectroscopy. The Em(QB−/QB) was determined to be approximately +90 mV and was virtually unaffected by depletion of the Mn4CaO5 cluster. This insensitivity of Em(QB−/QB), in combination with the known large upshift of Em(QA−/QA), explains the mechanism of PSII photoprotection with an impaired Mn4CaO5 cluster, in which a large decrease in the Em gap between QA and QB promotes rapid charge recombination via QA−. PMID:26715751

  12. Generic mechanism of optimal energy transfer efficiency: a scaling theory of the mean first-passage time in exciton systems.

    Science.gov (United States)

    Wu, Jianlan; Silbey, Robert J; Cao, Jianshu

    2013-05-17

    An asymptotic scaling theory is presented using the conceptual basis of trapping-free subspace (i.e., orthogonal subspace) to establish the generic mechanism of optimal efficiency of excitation energy transfer in light-harvesting systems. A quantum state orthogonal to the trap will exhibit noise-assisted transfer, clarifying the significance of initial preparation. For such an initial state, the efficiency is enhanced in the weak damping limit (⟨t⟩ ∼ 1/Γ), and suppressed in the strong damping limit (⟨t⟩ ∼ Γ), analogous to Kramers turnover in classical rate theory. An interpolating expression ⟨t⟩ = A/Γ + B + CΓ quantitatively describes the trapping time over the entire range of the dissipation strength, and predicts the optimal efficiency at Γ(opt) ∼ J for homogenous systems. In the presence of static disorder, the scaling law of transfer time with respect to dephasing rate changes from linear to square root, suggesting a weaker dependence on the environment. The prediction of the scaling theory is verified in a symmetric dendrimer system by numerically exact quantum calculations. Though formulated in the context of excitation energy transfer, the analysis and conclusions apply in general to open quantum processes, including electron transfer, fluorescence emission, and heat conduction.

  13. Control of Hyperbolic Heat Transfer Mechanisms Application to the Distributed Concentrated Solar Collectors

    KAUST Repository

    Elmetennani, Shahrazed

    2017-04-01

    This dissertation addresses the flow control problem in hyperbolic heat transfer mechanisms. It raises in concentrated distributed solar collectors to enhance their production efficiency under the unpredictable variations of the solar energy and the external disturbances. These factors which are either locally measured (the solar irradiance) or inaccessible for measurement (the collectors’ cleanliness) affect the source term of the distributed model and represent a major difficulty for the control design. Moreover, the temperature in the collector can only be measured at the boundaries. In this dissertation, we propose new adaptive control approaches to provide the adequate level of heat while coping with the unpredictable varying disturbances. First, we design model based control strategies for a better efficiency, in terms of accuracy and response time, with a relatively reduced complexity. Second, we enhance the controllers with on-line adaptation laws to continuously update the efficient value of the external conditions. In this study, we approach the control problem using both, the infinite dimensional model (late lumping) and a finite dimensional approximate representation (early lumping). For the early lumping approach, we introduce a new reduced order bilinear approximate model for system analysis and control design. This approximate state representation is then used to derive a nonlinear state feedback resorting to Lyapunov stability theory. To compensate for the external disturbances and the approximation uncertainties, an adaptive controller is developed based on a phenomenological representation of the system dynamics. For the late lumping approach, we propose two PDE based controllers by stabilization of the reference tracking error distributed profile. The control laws are explicitly defined as functions of the available measurement. The first one is obtained using a direct approach for error stabilization while the second one is derived through a

  14. Unifying mechanism for toxicity and addiction by abused drugs: electron transfer and reactive oxygen species.

    Science.gov (United States)

    Kovacic, Peter; Cooksy, Andrew L

    2005-01-01

    Abused drugs are of grave concern throughout the world for a variety of reasons. Although impressive advances have been made, there are many unknown mechanistic aspects. This report presents a novel hypothesis based on a unifying theme for action of the major classes of abused drugs, in addition to commonly abused therapeutic drugs. The approach is based on electron transfer (ET), reactive oxygen species (ROS), and oxidative stress (OS). It is significant that physiologically active substances generally incorporate ET functionalities, either per se, or more usually in their metabolites. In order to achieve ET in vivo, the reduction potential must be more positive than -0.5 V, which is the case for metabolites of abused drugs, except for special cases. Since the ET process is catalytic, only small quantities of agent are needed for generation of large amounts of ROS during redox cycyling. Bioaction with cellular materials could entail ET alone or participation of ROS. In the abused category, among the main classes of ET functionalities are quinones and iminiums, with alpha-dicarbonyl and nitroxyl radical being rarer. Nicotine yields nicotine iminium, myosmine iminium, and DNA base iminium via alkylation by a metabolic nitrosamine. In the case of alcohol, diacetyl (an alpha-dicarbonyl) is formed, which can lead to conjugated imine (or iminium) by condensation with pri-amine of protein. Phencyclidine is unusual since the iminium product is non-conjugated. However, data indicate that the conformation present at the binding site can accommodate delocalization of the derived radical. For cocaine, various metabolites may play a role: iminium, nitroxyl radical, nitrosonium and formaldehyde. Dealkylation of the ether moiety of ecstasy provides a catechol function capable of redox cycling with the o-quinone partner. Amphetamine and methamphetamine also appear to function by way of the catechol route, as well as morphine and heroin. Tetrahydrocannabinol produces an epoxide, a

  15. Effects of material properties on the competition mechanism of heat transfer of a granular bed in rotary cylinders

    Institute of Scientific and Technical Information of China (English)

    Xie Zhi-Yin; Feng Jun-Xiao

    2013-01-01

    Mixing and heat transfer processes of the granular materials within rotary cylinders play a key role in industrial processes.The numerical simulation is carried out by using the discrete element method (DEM) to investigate the influences of material properties on the bed mixing and heat transfer process,including heat conductivity,heat capacity,and shear modulus.Moreover,a new Péclet number is derived to determine the dominant mechanism of the heating rate within the particle bed,which is directly related to thermal and mechanical properties.The system exhibits a faster heating rate with the increase of ratio of thermal conductivity and heat capacity,or the decrease of shear modulus when inter-particle conduction dominates the heating rate; conversely,it shows a fast-mixing bed when particle convection governs the heating rate.The simulation results show good agreement with the theoretical predictions.

  16. Excess-Electron Transfer in DNA by a Fluctuation-Assisted Hopping Mechanism.

    Science.gov (United States)

    Lin, Shih-Hsun; Fujitsuka, Mamoru; Majima, Tetsuro

    2016-02-04

    The dynamics of excess-electron transfer in DNA has attracted the attention of scientists from all kinds of research fields because of its importance in biological processes. To date, several studies on excess-electron transfer in consecutive adenine (A):thymine (T) sequences in donor-DNA-acceptor systems have been published. However, the reported excess-electron transfer rate constants for consecutive T's are in the range of 10(10)-10(11) s(-1) depending on the photosensitizing electron donor, which provides various driving forces for excess-electron injection into DNA. In this study, we employed a strongly electron-donating photosensitizer, a dimer of 3,4-ethylenedioxythiophene (2E), and an electron acceptor, diphenylacetylene (DPA), to synthesize a series of modified DNA oligomers (2-Tn, n = 3-6) in order to investigate the excess-electron transfer dynamics in these donor-DNA-acceptor systems using femtosecond laser flash photolysis. The relation between the free energy change for charge injection and the excess-electron transfer rate among consecutive T's provided an intrinsic excess-electron hopping rate constant of (3.8 ± 1.5) × 10(10) s(-1) in the DNA, which is consistent with the fluctuation frequency of the DNA sugar backbone and bases (3.3 × 10(10) s(-1)). Thus, we discuss the effect of structural fluctuations on the excess-electron hopping in DNA.

  17. Virtual design software for mechanical system dynamics using transfer matrix method of multibody system and its application

    Directory of Open Access Journals (Sweden)

    Hai-gen Yang

    2015-09-01

    Full Text Available The complex mechanical systems such as high-speed trains, multiple launch rocket system, self-propelled artillery, and industrial robots are becoming increasingly larger in scale and more complicated in structure. Designing these products often requires complex model design, multibody system dynamics calculation, and analysis of large amounts of data repeatedly. In recent 20 years, the transfer matrix method of multibody system has been widely applied in engineering fields and welcomed at home and in abroad for the following features: without global dynamic equations of the system, low orders of involved system matrices, high computational efficiency, and high programming. In order to realize the rapid and visual simulation for complex mechanical system virtual design using transfer matrix method of multibody system, a virtual design software named MSTMMSim is designed and implemented. In the MSTMMSim, the transfer matrix method of multibody system is used as the solver for dynamic modeling and calculation; the Open CASCADE is used for solid geometry modeling. Various auxiliary analytical tools such as curve plot and animation display are provided in the post-processor to analyze and process the simulation results. Two numerical examples are given to verify the validity and accuracy of the software, and a multiple launch rocket system engineering example is given at the end of this article to show that the software provides a powerful platform for complex mechanical systems simulation and virtual design.

  18. Non-destructive observation of damage in mortar and concrete during mechanical loading for the evaluation of moisture transfer profiles

    DEFF Research Database (Denmark)

    Rouchier, Simon; Janssen, Hans; Rode, Carsten;

    2012-01-01

    Coupled heat and mass transfer modelling in building materials now plays an important part in the design of energy-efficient buildings. However, concrete and other construction materials subjected to mechanical loading and atmospheric excitation inevitably develop fractures patterns during...... their lifespan due to mechanical, chemical or physical damage processes. The target of the present work is to determine whether non-destructive observation of crack patterns can help predict the moisture uptake rate of fractured building materials. Digital image correlation was used to quantify damage in two...

  19. Topological effects of charge transfer in telomere G-quadruplex: Mechanism on telomerase activation and inhibition

    CERN Document Server

    Wang, Xin

    2015-01-01

    We explore charge transfer in the telomere G-Quadruplex (TG4) DNA theoretically by the nonequilibrium Green's function method, and reveal the topological effect of charge transport in TG4 DNA. The consecutive TG4(CTG4) is semiconducting with 0.2 ~ 0.3eV energy gap. Charges transfers favorably in the consecutive TG4, but are trapped in the non-consecutive TG4 (NCTG4). The global conductance is inversely proportional to the local conductance for NCTG4. The topological structure transition from NCTG4 to CTG4 induces abruptly ~ 3nA charge current, which provide a microscopic clue to understand the telomerase activated or inhibited by TG4. Our findings reveal the fundamental property of charge transfer in TG4 and its relationship with the topological structure of TG4.

  20. Topological Effects of Charge Transfer in Telomere G-Quadruplex Mechanism on Telomerase Activation and Inhibition

    Science.gov (United States)

    Wang, Xin; Liang, Shi-Dong

    2013-02-01

    We explore the charge transfer in the telomere G-Quadruplex (TG4) DNA theoretically by the nonequilibrium Green's function method, and reveal the topological effect of the charge transport in TG4 DNA. The consecutive TG4 (CTG4) is semiconducting with 0.2 0.3 eV energy gap. Charges transfer favorably in the CTG4, but are trapped in the nonconsecutive TG4 (NCTG4). The global conductance is inversely proportional to the local conductance for NCTG4. The topological structure transition from NCTG4 to CTG4 induces abruptly 3nA charge current, which provide a microscopic clue to understand the telomerase activated or inhibited by TG4. Our findings reveal the fundamental property of charge transfer in TG4 and its relationship with the topological structure of TG4.

  1. Fresh look at electron-transfer mechanisms via the donor/acceptor bindings in the critical encounter complex.

    Science.gov (United States)

    Rosokha, Sergiy V; Kochi, Jay K

    2008-05-01

    Seminal insights provided by the iconic R. S. Mulliken and his "charge-transfer" theory, H. Taube and his "outer/inner-sphere" mechanisms, R. A. Marcus and his "two-state non-adiabatic" theory, and N. S. Hush and his "intervalence" theory are each separately woven into the rich panoramic tapestry constituting chemical research into electron-transfer dynamics, and its mechanistic dominance for the past half century and more. In this Account, we illustrate how the simultaneous melding of all four key concepts allows sharp focus on the charge-transfer character of the critical encounter complex to evoke the latent facet of traditional electron-transfer mechanisms. To this end, we exploit the intervalence (electronic) transition that invariably accompanies the diffusive encounter of electron-rich organic donors (D) with electron-poor acceptors (A) as the experimental harbinger of the collision complex, which is then actually isolated and X-ray crystallographically established as loosely bound pi-stacked pairs of various aromatic and olefinic donor/acceptor dyads with uniform interplanar separations of r(DA) = 3.1 +/- 0.2 A. These X-ray structures, together with the spectral measurements of their intervalence transitions, lead to the pair of important electron-transfer parameters, H(DA) (electronic coupling element) versus lambdaT (reorganization energy), the ratio of which generally defines the odd-electron mobility within such an encounter complex in terms of the resonance stabilization of the donor/acceptor assembly [D, A] as opposed to the reorganization-energy penalty required for its interconversion to the electron-transfer state [D(+*), A(-*)]. We recognize the resonance-stabilization energy relative to the intrinsic activation barrier as the mechanistic binding factor, Q = 2H(DA)/lambdaT, to represent the quantitative measure of the highly variable continuum of inner-sphere/outer-sphere interactions that are possible within various types of precursor complexes

  2. Mechanism for the thermal dependence of the Cr to Nd energy transfer in garnets

    Science.gov (United States)

    Armagan, Guzin; Di Bartolo, Baldassare

    1988-01-01

    The temperature dependence of the Cr-Nd energy transfer is found to be due to the thermal variation of the radiative decay probability of Cr. The validity of this conjecture is checked in the Gd3Sc2Ga3O12 and CaMg2Y2Ge3O12 crystals. It is also found that above 200 K, the nonradiative energy transfer rate from Cr to Nd is greater in Gd3Sc2Ga3O12 than in CaMg2Y2Ge3O12.

  3. Anti-oxidant activity of 6-gingerol as a hydroxyl radical scavenger by hydrogen atom transfer, radical addition and electron transfer mechanisms

    Indian Academy of Sciences (India)

    MANISH K TIWARI; P C MISHRA

    2016-08-01

    Mechanisms of anti-oxidant action of 6-gingerol as a hydroxyl radical scavenger have been investigated using the transition state theory within the framework of density functional theory. Hydrogen abstraction by a hydroxyl radical from the different sites of 6-gingerol and addition of the former to the different sites ofthe latter were studied. Electron transfer from 6-gingerol to a hydroxyl radical was also studied. Solvent effect in aqueous media was treated using the integral equation formalism of the polarizable continuum model (IEFPCM). Reaction rate constants in aqueous media were generally found to be larger than those in gas phase. The tunneling contributions to rate constants were found to be appreciable. Our results show that 6-gingerol is an excellent anti-oxidant and would scavenge hydroxyl radicals efficiently.

  4. Kinetic mechanism of molecular energy transfer and chemical reactions in low-temperature air-fuel plasmas.

    Science.gov (United States)

    Adamovich, Igor V; Li, Ting; Lempert, Walter R

    2015-08-13

    This work describes the kinetic mechanism of coupled molecular energy transfer and chemical reactions in low-temperature air, H2-air and hydrocarbon-air plasmas sustained by nanosecond pulse discharges (single-pulse or repetitive pulse burst). The model incorporates electron impact processes, state-specific N(2) vibrational energy transfer, reactions of excited electronic species of N(2), O(2), N and O, and 'conventional' chemical reactions (Konnov mechanism). Effects of diffusion and conduction heat transfer, energy coupled to the cathode layer and gasdynamic compression/expansion are incorporated as quasi-zero-dimensional corrections. The model is exercised using a combination of freeware (Bolsig+) and commercial software (ChemKin-Pro). The model predictions are validated using time-resolved measurements of temperature and N(2) vibrational level populations in nanosecond pulse discharges in air in plane-to-plane and sphere-to-sphere geometry; temperature and OH number density after nanosecond pulse burst discharges in lean H(2)-air, CH(4)-air and C(2)H(4)-air mixtures; and temperature after the nanosecond pulse discharge burst during plasma-assisted ignition of lean H2-mixtures, showing good agreement with the data. The model predictions for OH number density in lean C(3)H(8)-air mixtures differ from the experimental results, over-predicting its absolute value and failing to predict transient OH rise and decay after the discharge burst. The agreement with the data for C(3)H(8)-air is improved considerably if a different conventional hydrocarbon chemistry reaction set (LLNL methane-n-butane flame mechanism) is used. The results of mechanism validation demonstrate its applicability for analysis of plasma chemical oxidation and ignition of low-temperature H(2)-air, CH(4)-air and C(2)H(4)-air mixtures using nanosecond pulse discharges. Kinetic modelling of low-temperature plasma excited propane-air mixtures demonstrates the need for development of a more accurate

  5. Conjugate Heat Transfer and Thermal Mechanical Analysis for the Fast Spectrum Neutron Source for Materials Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Olivas, Eric Richard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-02-04

    A conjugate heat transfer and thermal structural analysis was completed, with the objective of determining the following: Lead bismuth eutectic (LBE) peak temperature, free convective velocity patterns in the LBE, peak beam window temperature, and thermal stress/deformation in the window.

  6. On Fluid mechanics formulation of Monge-Kantorovich Mass Transfer Problem

    OpenAIRE

    Ito, Kazufumi

    2007-01-01

    The Monge-Kantorovich mass transfer problem is equivalently formulated as a convex optimization problem for a potential function. In the light of this formulation an interative algorithm is developed for determining the solution. It is a gradient flow algorithm and each iterate solves a linear elliptic equation. Well-posedness and convergence of the proposed method are analyzed and numerical findings are presented.

  7. Conjugate Heat Transfer and Thermal Mechanical Analysis for Liquid Metal Targets for High Power Electron Beams.

    Energy Technology Data Exchange (ETDEWEB)

    Olivas, Eric Richard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-02-26

    A conjugate heat transfer and thermal structural analysis was completed, with the objective of determining the following: Lead bismuth eutectic (LBE) peak temperature, free convective velocity patterns in the LBE, peak beam window temperature, and thermal stress/deformation in the window.

  8. Subcooled Pool Boiling Heat Transfer Mechanisms in Microgravity: Terrier-improved Orion Sounding Rocket Experiment

    Science.gov (United States)

    Kim, Jungho; Benton, John; Kucner, Robert

    2000-01-01

    A microscale heater array was used to study boiling in earth gravity and microgravity. The heater array consisted of 96 serpentine heaters on a quartz substrate. Each heater was 0.27 square millimeters. Electronic feedback loops kept each heater's temperature at a specified value. The University of Maryland constructed an experiment for the Terrier-Improved Orion sounding rocket that was delivered to NASA Wallops and flown. About 200 s of high quality microgravity and heat transfer data were obtained. The VCR malfunctioned, and no video was acquired. Subsequently, the test package was redesigned to fly on the KC-135 to obtain both data and video. The pressure was held at atmospheric pressure and the bulk temperature was about 20 C. The wall temperature was varied from 85 to 65 C. Results show that gravity has little effect on boiling heat transfer at wall superheats below 25 C, despite vast differences in bubble behavior between gravity levels. In microgravity, a large primary bubble was surrounded by smaller bubbles, which eventually merged with the primary bubble. This bubble was formed by smaller bubbles coalescing, but had a constant size for a given superheat, indicating a balance between evaporation at the base and condensation on the cap. Most of the heaters under the bubble indicated low heat transfer, suggesting dryout at those heaters. High heat transfer occurred at the contact line surrounding the primary bubble. Marangoni convection formed a "jet" of fluid into the bulk fluid that forced the bubble onto the heater.

  9. Energy Transfer Sensitization of Luminescent Gold Nanoclusters: More than Just the Classical Förster Mechanism

    Science.gov (United States)

    Oh, Eunkeu; Huston, Alan L.; Shabaev, Andrew; Efros, Alexander; Currie, Marc; Susumu, Kimihiro; Bussmann, Konrad; Goswami, Ramasis; Fatemi, Fredrik K.; Medintz, Igor L.

    2016-10-01

    Luminescent gold nanocrystals (AuNCs) are a recently-developed material with potential optic, electronic and biological applications. They also demonstrate energy transfer (ET) acceptor/sensitization properties which have been ascribed to Förster resonance energy transfer (FRET) and, to a lesser extent, nanosurface energy transfer (NSET). Here, we investigate AuNC acceptor interactions with three structurally/functionally-distinct donor classes including organic dyes, metal chelates and semiconductor quantum dots (QDs). Donor quenching was observed for every donor-acceptor pair although AuNC sensitization was only observed from metal-chelates and QDs. FRET theory dramatically underestimated the observed energy transfer while NSET-based damping models provided better fits but could not reproduce the experimental data. We consider additional factors including AuNC magnetic dipoles, density of excited-states, dephasing time, and enhanced intersystem crossing that can also influence ET. Cumulatively, data suggests that AuNC sensitization is not by classical FRET or NSET and we provide a simplified distance-independent ET model to fit such experimental data.

  10. In silico Analysis of the Potential Infection Mechanisms of Magnaporthe grisea from Horizontal Gene Transfer Hypothesis

    Institute of Scientific and Technical Information of China (English)

    Chunyang Li; Ying Wang; Hao Peng; Hejiao Bian; Mingwei Min; Longfei Chen; Qian Liu; Jinku Bao

    2009-01-01

    Horizontal gene transfer(HGT)has long been considered as a principal force for an organism to gain novel genes in genome evolution. Homology search, phylogenetic analysis and nucleotide composition analysis are three major objective approaches to arguably determine the occurrence and directionality of HGT. Here, 21 genes that possess the potential to horizontal transfer were acquired from the whole genome of Magnaporthe grisea according to annotation, among which three can-didate genes(corresponding protein accession numbers are EAA55123, EAA47200 and EAA52136)were selected for further analysis. According to BLAST homology results, we subsequently conducted phylogenetic analysis of the three candidate HGT genes. Moreover, nucleotide composition analysis was conducted to further validate these HGTs. In addition, the functions of the three candidate genes were searched in COG database. Consequently, we conclude that the gene encoding protein EAA55123 is transferred from Clostridium perfringens. Another HGT event is between EAA52136 and a certain metazoan's corresponding gene, but the direction remains uncertain. Yet, EAA47200 is not a transferred gene.

  11. Mechanism of the Primary Charge Transfer Reaction in the Cytochrome bc1 Complex

    DEFF Research Database (Denmark)

    Barragan, Angela M; Schulten, Klaus; Solov'yov, Ilia A

    2016-01-01

    , the quinol-protein interaction, which initiates the Q-cycle, has not yet been completely described. Furthermore, the initial charge transfer reactions of the Q-cycle lack a physical description. The present investigation utilizes classical molecular dynamics simulations in tandem with quantum density...

  12. Investigating the electronic structure of the Atox1 copper(I) transfer mechanism with density functional theory.

    Science.gov (United States)

    Pitts, Amanda L; Hall, Michael B

    2013-09-16

    To maintain correct copper homeostasis, the body relies on ion binding metallochaperones, cuprophilic ligands, and proteins to move copper around as a complexed metal. The most common binding site for Cu(I) proteins is the CX1X2C motif, where X1 and X2 are nonconserved residues. Although this binding site motif is well established, the mechanistic and electronic details for the transfer of Cu(I) between two binding sites have not been fully established, in particular, whether the transfer is dissociative or associative or if the electron-rich Cu(I)-Cys interactions influence the transfer. In this work, we investigated the electronic structure of the Cu(I)-S interactions during the copper transfer between Atox1 and a metal binding domain on the ATP7A or ATP7B protein. Initially, three Cu(I) methylthiolate complexes, [Cu(SCH3)2](-1), [Cu(SCH3)3](-2), [Cu(SCH3)4](-3), were investigated with density functional theory (DFT) to fully elucidate the electronic structure and bonding between Cu(I) and thiolate species. The two-coordinate, linear species with a C-S-S-C dihedral angle of ∼90° is the lowest energy conformation because the filled π antibonding orbitals are stabilized in this geometry. The importance of π-overlap is also seen with the trigonal planar, three-coordinate Cu(I) complex, which is similarly stabilized. A corresponding four-coordinate species could not be consistently optimized, so it was concluded that tetrahedral coordination was not likely to be stable. The transfer of Cu(I) from the Atox1 metallochaperone to a metal binding domain of the ATP7A or ATP7B protein was then modeled by using the CGGC Atox1 binding site for the donor model and the dithiotreitol ligand (DTT) for the acceptor model. The two- and three-coordinate intermediates calculated along the five-step transfer mechanism converged to near optimal Cu-S π-overlap for the respective geometries, which demonstrates that the electronic structure in this electron-rich environment

  13. MECHANICAL POWER TRANSFER SYSTEMS. AGRICULTURAL MACHINERY-SERVICE OCCUPATIONS, MODULE NUMBER 8.

    Science.gov (United States)

    Ohio State Univ., Columbus. Center for Vocational and Technical Education.

    ONE OF A SERIES DESIGNED TO HELP TEACHERS PREPARE POSTSECONDARY-LEVEL STUDENTS FOR THE AGRICULTURAL MACHINERY SERVICE OCCUPATIONS AS PARTS MEN, MECHANICS, MECHANIC'S HELPERS, AND SERVICE SUPERVISORS, THIS GUIDE AIMS TO DEVELOP STUDENT COMPETENCY IN UNDERSTANDING AND APPLYING THE PRINCIPLES OF MECHANICAL POWER TRANSMISSION IN AGRICULTURAL…

  14. Mechanisms for improving mass transfer in food with ultrasound technology: Describing the phenomena in two model cases.

    Science.gov (United States)

    Miano, Alberto Claudio; Ibarz, Albert; Augusto, Pedro Esteves Duarte

    2016-03-01

    The aim of this work was to demonstrate how ultrasound mechanisms (direct and indirect effects) improve the mass transfer phenomena in food processing, and which part of the process they are more effective in. Two model cases were evaluated: the hydration of sorghum grain (with two water activities) and the influx of a pigment into melon cylinders. Different treatments enabled us to evaluate and discriminate both direct (inertial flow and "sponge effect") and indirect effects (micro channel formation), alternating pre-treatments and treatments using an ultrasonic bath (20 kHz of frequency and 28 W/L of volumetric power) and a traditional water-bath. It was demonstrated that both the effects of ultrasound technology are more effective in food with higher water activity, the micro channels only forming in moist food. Moreover, micro channel formation could also be observed using agar gel cylinders, verifying the random formation of these due to cavitation. The direct effects were shown to be important in mass transfer enhancement not only in moist food, but also in dry food, this being improved by the micro channels formed and the porosity of the food. In conclusion, the improvement in mass transfer due to direct and indirect effects was firstly discriminated and described. It was proven that both phenomena are important for mass transfer in moist foods, while only the direct effects are important for dry foods. Based on these results, better processing using ultrasound technology can be obtained.

  15. Proton Transfer Isomerization of Pyrazole in the Ground State:σν sπ Mechanism and Water Assisting Effect

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The proton transfer isomerization of pyrazole and the water assisting effect by looping 1 to 4 water molecules on the singlet state potential energy surface have been investigated by using hybrid density functional theory method (B3PW91) with a 6-311++G** basis set. Two mechanisms were proposed to explain the mono- and multi-water assisting effects, respectively. The reactants and products of all groups have been characterized on their potential energy surfaces. For the isomerization of monomolecule pyrazole, the isomerization energy barrier is 46.4 kcal·mol-1. For the monohydration assisting mechanism, the reactant complex is connected to the product complex via two saddle points. The corresponding isomerization barriers are 46.7and 23.0 kcal(mol-1, respectively. As to the multihydration assisting mechanism, the isomerization barriers are 12.0, 10.9 and 13.14 kcal(mol-1 accordingly, when the number of water molecules is 2, 3 and 4, respectively. The multihydration assisting isomerization can occur in water-dominated environments, for example, in the organism, and thereby is crucial to energy transference. The deproton and dehydrogen energies of monomolecule pyrazole and various hydrated pyrazoles were calculated and then found much bigger than the isomerization barriers of their relative complexes, suggesting the impossibility of deprotonation or dehydrogenation. The isomerization of pyrazole is a proton-coupling-electron-migration process, but two different mechanisms are noticed, viz.σ- and π-type mechanisms. The π-bond of pyrazole participates in isomerization in the π-type mechanism, whereas only σelectron takes part in isomerization in the σ-type mechanism.

  16. Perceptual learning of Gabor orientation identification in visual periphery: complete inter-ocular transfer of learning mechanisms.

    Science.gov (United States)

    Lu, Zhong-Lin; Chu, Wilson; Dosher, Barbara Anne; Lee, Sophia

    2005-09-01

    We combined the external noise paradigm, the Perceptual Template Model approach, and transfer tests to investigate the mechanisms and eye-specificity of perceptual learning of Gabor orientation in visual periphery. Coupled with a fixation task, discriminating a 5 from an S in a rapid small character string at fixation, contrast thresholds were estimated for each of eight external noise levels at two performance criteria using 3/1 and 2/1 staircases. Perceptual learning in one eye was measured over 10 practice sessions, followed by five sessions of practice in the new eye to assess transfer. We found that monocular learning improved performance (reduced contrast thresholds) with virtually equal magnitude across a wide range of external noise levels with no significant change in central task performance. Based on measurements of learning effects at two performance criterion levels, we identified a mixture of stimulus enhancement and external noise exclusion as the mechanism of perceptual learning underlying the observed improvements. Perceptual learning in the trained eye generalized completely to the untrained eye. We related the transfer patterns to known physiology and psychophysics on orientation direction coding.

  17. An investigation of interface transferring mechanism of surface-bonded fiber Bragg grating sensors

    Science.gov (United States)

    Wu, Rujun; Fu, Kunkun; Chen, Tian

    2017-08-01

    Surface-bonded fiber Bragg grating sensor has been widely used in measuring strain in materials. The existence of fiber Bragg grating sensor affects strain distribution of the host material, which may result in a decrease in strain measurement accuracy. To improve the measurement accuracy, a theoretical model of strain transfer from the host material to optical fiber was developed, incorporating the influence of the fiber Bragg grating sensor. Subsequently, theoretical predictions were validated by comparing with data from finite element analysis and the existing experiment [F. Ansari and Y. Libo, J. Eng. Mech. 124(4), 385-394 (1998)]. Finally, the effect of parameters of fiber Bragg grating sensors on the average strain transfer rate was discussed.

  18. The Alternative complex III: properties and possible mechanisms for electron transfer and energy conservation.

    Science.gov (United States)

    Refojo, Patrícia N; Teixeira, Miguel; Pereira, Manuela M

    2012-10-01

    Alternative complexes III (ACIII) are recently identified membrane-bound enzymes that replace functionally the cytochrome bc(1/)b(6)f complexes. In general, ACIII are composed of four transmembrane proteins and three peripheral subunits that contain iron-sulfur centers and C-type hemes. ACIII are built by a combination of modules present in different enzyme families, namely the complex iron-sulfur molybdenum containing enzymes. In this article a historical perspective on the investigation of ACIII is presented, followed by an overview of the present knowledge on these enzymes. Electron transfer pathways within the protein are discussed taking into account possible different locations (cytoplasmatic or periplasmatic) of the iron-sulfur containing protein and their contribution to energy conservation. In this way several hypotheses for energy conservation modes are raised including linear and bifurcating electron transfer pathways. This article is part of a Special Issue entitled: 17th European Bioenergetics Conference (EBEC 2012).

  19. Transfer of vesicles from Schwann cell to axon: a novel mechanism of communication in the peripheral nervous system

    Directory of Open Access Journals (Sweden)

    María Alejandra eLopez-Verrilli

    2012-06-01

    Full Text Available Schwann cells (SCs are the glial component of the peripheral nervous system, with essential roles during development and maintenance of axons, as well as during regenerative processes after nerve injury. SCs increase conduction velocities by myelinating axons, regulate synaptic activity at presynaptic nerve terminals and are a source of trophic factors to neurons. Thus, development and maintenance of peripheral nerves are crucially dependent on local signalling between SCs and axons. In addition to the classic mechanisms of intercellular signalling, the possibility of communication through secreted vesicles has been poorly explored to date. Interesting recent findings suggest the occurrence of lateral transfer mediated by vesicles from glial cells to axons that could have important roles in axonal growth and axonal regeneration. Here, we review the role of vesicular transfer from SCs to axons and propose the benefits of this means in supporting neuronal and axonal maintenance and regeneration after nerve damage.

  20. Mechanism of Anesthetic Toxicity: Metabolism, Reactive Oxygen Species, Oxidative Stress, and Electron Transfer

    OpenAIRE

    2011-01-01

    There is much literature on the toxic effects of anesthetics. This paper deals with both the volatiles and locals. Adverse effects appear to be multifaceted, with the focus on radicals, oxidative stress (OS), and electron transfer (ET). ET functionalities involved are quinone, iminoquinone, conjugated iminium, and nitrone. The non-ET routes involving radicals and OS apparently pertain to haloalkanes and ethers. Beneficial effects of antioxidants, evidently countering OS, are reported. Knowled...

  1. Heat transfer augmentation in double pipe heat exchanger using mechanical turbulators

    Science.gov (United States)

    Kamboj, Kushal; Singh, Gurjeet; Sharma, Rohit; Panchal, Dilbagh; Hira, Jaspreet

    2017-02-01

    The work presented here focuses on heat transfer augmentation by means of divergent-convergent spring turbulator (the enhancement device). Aim of the present work is to find such an optimum pitch at which the augmentation in heat transfer is maximum and the amount of power consumption is minimum, so that an economic design can be created with maximum thermal efficiency. So, the concept of pitch variation is introduced, which is defined as the horizontal distance between two consecutive turbulators. It describes that, the lesser is the pitch the more number of turbulators that can be inserted in inner pipe of double pipe heat exchanger, hence more will be the friction factor. This physics increases convective ability of the heat transfer process from the surface of inner pipe. There is a certain limit to which a pitch can be decreased, lesser the pitch the more the pressure drop and friction factor and hence the more will be the pumping power requirement to maintain a desired mass flow rate of hot water. Analysis of thermal factors such as Nusselts number, friction factor, with different pitches of divergent convergent spring turbulators of circular cross-section 15, 10, and 5 cm at Reynolds's number ranging between 9000 < Re < 40,000 is done graphically.

  2. A potential role for sinapyl p-coumarate as a radical transfer mechanism in grass lignin formation.

    Science.gov (United States)

    Hatfield, Ronald; Ralph, John; Grabber, John H

    2008-11-01

    Grass lignins are differentiated from other lignin types by containing relatively large amounts of p-coumaric acid (pCA) acylating the C-9 position of lignin subunits. In the case of a mature corn (Zea mays L.) stems, pCA constitutes 15-18% of a dioxane soluble enzyme lignin. The major portion of the pCA is specifically attached to syringyl residues. Studies with isolated corn wall peroxidases show that pCA readily undergoes radical coupling in the presence of hydrogen peroxide, whereas sinapyl alcohol radical coupling proceeds more slowly. Analysis of corn wall peroxidases did not reveal specific enzymes that would lead to the preferred incorporation of sinapyl alcohol as seen in other plants. The addition of ethyl ferulate, methyl p-coumarate, or sinapyl p-coumarate conjugates to a reaction mixture containing peroxidase, sinapyl alcohol, and hydrogen peroxide stimulated the rate of sinapyl alcohol radical coupling by 10-20-fold. Based on spectral analysis it appears that pCA and ferulate radicals form rapidly, but the radical is readily transferred to sinapyl alcohol. The newly formed sinapyl alcohol radicals undergo coupling and cross-coupling reactions. However, sinapyl alcohol radicals do not cross-couple with pCA radicals. As long as hydrogen peroxide is limiting pCA remains uncoupled. Ferulates have similar reaction patterns in terms of radical transfer though they appear to cross-couple in the reaction mixture more readily then pCA. The role of pCA may be to internally provide a radical transfer mechanism for optimizing radical coupling of sinapyl alcohol into the growing lignin polymer. Attachment of some pCA to sinapyl alcohol ensures localization of the radical transfer mechanism in areas where sinapyl alcohol is being incorporated into lignin.

  3. The effect of oxygen transfer mechanism on the cathode performance based on proton-conducting solid oxide fuel cells

    KAUST Repository

    Hou, Jie

    2015-01-01

    Two types of proton-blocking composites, La2NiO4+δ-LaNi0.6Fe0.4O3-δ (LNO-LNF) and Sm0.2Ce0.8O2-δ-LaNi0.6Fe0.4O3-δ (SDC-LNF), were evaluated as cathode materials for proton-conducting solid oxide fuel cells (H-SOFCs) based on the BaZr0.1Ce0.7Y0.2O3-δ (BZCY) electrolyte, in order to compare and investigate the influence of two different oxygen transfer mechanism on the performance of the cathode for H-SOFCs. The X-ray diffraction (XRD) results showed that the chemical compatibility of the components in both compounds was excellent up to 1000°C. Electrochemical studies revealed that LNO-LNF showed lower area specific polarization resistances in symmetrical cells and better electrochemical performance in single cell tests. The single cell with LNO-LNF cathode generated remarkable higher maximum power densities (MPDs) and lower interfacial polarization resistances (Rp) than that with SDC-LNF cathode. Correspondingly, the MPDs of the single cell with the LNO-LNF cathode were 490, 364, 266, 180 mW cm-2 and the Rp were 0.103, 0.279, 0.587, 1.367 Ω cm2 at 700, 650, 600 and 550°C, respectively. Moreover, after the single cell with LNO-LNF cathode optimized with an anode functional layer (AFL) between the anode and electrolyte, the power outputs reached 708 mW cm-2 at 700°C. These results demonstrate that the LNO-LNF composite cathode with the interstitial oxygen transfer mechanism is a more preferable alternative for H-SOFCs than SDC-LNF composite cathode with the oxygen vacancy transfer mechanism.

  4. 吸收过程的界面传质机理%The Mechanism of Interfacial Mass Transfer in Gas Absorption Process

    Institute of Scientific and Technical Information of China (English)

    马友光; 冯惠生; 徐世昌; 余国琮

    2003-01-01

    Based on the method of molecular thermodynamics, the mass transfer mechanism at gas-liquid interface is studied theoretically, and a new mathematical model is proposed. Using laser holographic interference technique, the hydrodynamics and mass transfer characteristics of CO2 absorption are measured. It is shown that the calculated results are in good agreement with the experimental data.

  5. Mechanism of organophosphates (nerve gases and pesticides) and antidotes: electron transfer and oxidative stress.

    Science.gov (United States)

    Kovacic, Peter

    2003-12-01

    Evidence indicates that nerve gas toxins operate in ways in addition to inhibition of acetylcholine esterase. Alternative bioactivities are discussed with focus on electron transfer. The main class, including pralidoxime (2-PAM), incorporates conjugated iminium and oxime moieties that are electron affinic. Various physiological properties of iminium and oxime species are reviewed. The organophosphates encompass both nerve gases and insecticides, possessing similar properties, but different activities. Toxic manifestations are apparently due, in part, to oxidative stress. Alkylation of DNA takes place which may lead to generation of reactive oxygen species. Structure-activity relationships are examined, including reduction potentials and the captodative effect.

  6. Influence mechanism on flow and heat transfer characteristics for air-cooled steam condenser cells

    Science.gov (United States)

    He, Wei Feng; Dai, Yi Ping; Li, Mao Qing; Ma, Qing Zhong

    2012-09-01

    Air-cooled steam condensers (ACSCs) have been extensively utilized to reject waste heat in power industry to save water resources. However, ACSC performance is so sensitive to ambient wind that almost all the air-cooled power plants in China are less efficient compared to design conditions. It is shown from previous research that the influence of ambient wind on the cell performance differs from its location in the condenser. As a result, a numerical model including two identical ACSC cells are established, and the different influence on the performance of the cells is demonstrated and analyzed through the computational fluid dynamics method. Despite the great influence from the wind speeds, similar cell performance is obtained for the two cells under both windless and wind speed conditions when the wind parallels to the steam duct. Fan volumetric effectiveness which characterizes the fan performance, as well as the exchanger heat transfer rate, drops obviously with the increasing wind speed, and performance difference between the exchanger pair in the same A-frame also rises continuously. Furthermore, different flow and heat transfer characteristics of the windward and leeward cell are obtained at different wind angles, and ambient wind enhances the performance of the leeward cell, while that of the windward one changes little.

  7. Discovery of Novel Splice Variants and Regulatory Mechanisms for Microsomal Triglyceride Transfer Protein in Human Tissues

    Science.gov (United States)

    Suzuki, Takashi; Swift, Larry L.

    2016-01-01

    Microsomal triglyceride transfer protein (MTP) is a unique lipid transfer protein essential for the assembly of triglyceride-rich lipoproteins by the liver and intestine. Previous studies in mice identified a splice variant of MTP with an alternate first exon. Splice variants of human MTP have not been reported. Using PCR approaches we have identified two splice variants in human tissues, which we have named MTP-B and MTP-C. MTP-B has a unique first exon (Ex1B) located 10.5 kb upstream of the first exon (Ex1A) for canonical MTP (MTP-A); MTP-C contains both first exons for MTP-A and MTP-B. MTP-B was found in a number of tissues, whereas MTP-C was prominent in brain and testis. MTP-B does not encode a protein; MTP-C encodes the same protein encoded by MTP-A, although MTP-C translation is strongly inhibited by regulatory elements within its 5′-UTR. Using luciferase assays, we demonstrate that the promoter region upstream of exon 1B is quite adequate to drive expression of MTP. We conclude that alternate splicing plays a key role in regulating cellular MTP levels by introducing distinct promoter regions and unique 5′-UTRs, which contain elements that alter translation efficiency, enabling the cell to optimize MTP activity. PMID:27256115

  8. Electrical Transfer Function and Poling Mechanisms for Nonlinear Optical Polymer Modulators

    Science.gov (United States)

    Watson, Michael Dale

    2004-01-01

    Electro-Optic Polymers hold great promise in increased electro-optic coefficients as compared to their inorganic corollaries. Many researchers have focused on quantum chemistry to describe how the dipoles respond to temperature and electric fields. Much work has also been done for single layer films to confirm these results. For optical applications, waveguide structures are utilized to guide the optical waves in 3 layer stacks. Electrode poling is the only practical poling method for these structures. This research takes an electrical engineering approach to develop poling models and electrical and optical transfer functions of the waveguide structure. The key aspect of the poling model is the large boundary charge density deposited during the poling process. The boundary charge density also has a large effect on the electrical transfer function which is used to explain the transient response of the system. These models are experimentally verified. Exploratory experiment design is used to study poling parameters including time, temperature, and voltage. These studies verify the poling conditions for CLDX/APC and CLDZ/APEC guest host electro optic polymer films in waveguide stacks predicted by the theoretical developments.

  9. An insight into the mechanism of charge-transfer of hybrid polymer:ternary/quaternary chalcopyrite colloidal nanocrystals

    Directory of Open Access Journals (Sweden)

    Parul Chawla

    2014-08-01

    Full Text Available In this work, we have demonstrated the structural and optoelectronic properties of the surface of ternary/quaternary (CISe/CIGSe/CZTSe chalcopyrite nanocrystallites passivated by tri-n-octylphosphine-oxide (TOPO and tri-n-octylphosphine (TOP and compared their charge transfer characteristics in the respective polymer: chalcopyrite nanocomposites by dispersing them in poly(3-hexylthiophene polymer. It has been found that CZTSe nanocrystallites due to their high crystallinity and well-ordered 3-dimensional network in its pristine form exhibit a higher steric- and photo-stability, resistance against coagulation and homogeneity compared to the CISe and CIGSe counterparts. Moreover, CZTSe nanocrystallites display efficient photoluminescence quenching as evident from the high value of the Stern–Volmer quenching constant (KSV and eventually higher charge transfer efficiency in their respective polymer P3HT:CZTSe composites. We modelled the dependency of the charge transfer from the donor and the charge separation mechanism across the donor–acceptor interface from the extent of crystallinity of the chalcopyrite semiconductors (CISe/CIGSe/CZTSe. Quaternary CZTSe chalcopyrites with their high crystallinity and controlled morphology in conjunction with regioregular P3HT polymer is an attractive candidate for hybrid solar cells applications.

  10. An insight into the mechanism of charge-transfer of hybrid polymer:ternary/quaternary chalcopyrite colloidal nanocrystals.

    Science.gov (United States)

    Chawla, Parul; Singh, Son; Sharma, Shailesh Narain

    2014-01-01

    In this work, we have demonstrated the structural and optoelectronic properties of the surface of ternary/quaternary (CISe/CIGSe/CZTSe) chalcopyrite nanocrystallites passivated by tri-n-octylphosphine-oxide (TOPO) and tri-n-octylphosphine (TOP) and compared their charge transfer characteristics in the respective polymer: chalcopyrite nanocomposites by dispersing them in poly(3-hexylthiophene) polymer. It has been found that CZTSe nanocrystallites due to their high crystallinity and well-ordered 3-dimensional network in its pristine form exhibit a higher steric- and photo-stability, resistance against coagulation and homogeneity compared to the CISe and CIGSe counterparts. Moreover, CZTSe nanocrystallites display efficient photoluminescence quenching as evident from the high value of the Stern-Volmer quenching constant (K SV) and eventually higher charge transfer efficiency in their respective polymer P3HT:CZTSe composites. We modelled the dependency of the charge transfer from the donor and the charge separation mechanism across the donor-acceptor interface from the extent of crystallinity of the chalcopyrite semiconductors (CISe/CIGSe/CZTSe). Quaternary CZTSe chalcopyrites with their high crystallinity and controlled morphology in conjunction with regioregular P3HT polymer is an attractive candidate for hybrid solar cells applications.

  11. A computational study of synaptic mechanisms of partial memory transfer in cerebellar vestibulo-ocular-reflex learning.

    Science.gov (United States)

    Masuda, Naoki; Amari, Shun-ichi

    2008-04-01

    There is a debate regarding whether motor memory is stored in the cerebellar cortex, or the cerebellar nuclei, or both. Memory may be acquired in the cortex and then be transferred to the cerebellar nuclei. Based on a dynamical system modeling with a minimal set of variables, we theoretically investigated possible mechanisms of memory transfer and consolidation in the context of vestibulo-ocular reflex learning. We tested different plasticity rules for synapses in the cerebellar nuclei and took robustness of behavior against parameter variation as the criterion of plausibility of a model variant. In the most plausible scenarios, mossy-fiber nucleus-neuron synapses or Purkinje-cell nucleus-neuron synapses are plastic on a slow time scale and store permanent memory, whose content is passed from the cerebellar cortex storing transient memory. In these scenarios, synaptic strengths are potentiated when the mossy-fiber afferents to the nuclei are active during a pause in Purkinje-cell activities. Furthermore, assuming that mossy fibers create a limited variety of signals compared to parallel fibers, our model shows partial memory transfer from the cortex to the nuclei.

  12. Complex mechanism of the gas phase reaction between formic acid and hydroxyl radical. Proton coupled electron transfer versus radical hydrogen abstraction mechanisms.

    Science.gov (United States)

    Anglada, Josep M

    2004-08-11

    The gas phase reaction between formic acid and hydroxyl radical has been investigated with high level quantum mechanical calculations using DFT-B3LYP, MP2, CASSCF, QCISD, and CCSD(T) theoretical approaches in connection with the 6-311+G(2df,2p) and aug-cc-pVTZ basis sets. The reaction has a very complex mechanism involving several elementary processes, which begin with the formation of a reactant complex before the hydrogen abstraction by hydroxyl radical. The results obtained in this investigation explain the unexpected experimental fact that hydroxyl radical extracts predominantly the acidic hydrogen of formic acid. This is due to a mechanism involving a proton coupled electron-transfer process. The calculations show also that the abstraction of formyl hydrogen has an increased contribution at higher temperatures, which is due to a conventional hydrogen abstraction radical type mechanism. The overall rate constant computed at 298 K is 6.24 x 10(-13) cm3 molecules(-1) s(-1), and compares quite well with the range from 3.2 +/- 1 to 4.9 +/- 1.2 x 10(-13) cm3 molecules(-1) s(-1), reported experimentally.

  13. The kinetics and mechanism of induced thermal decomposition of peroxomonosulphate by phase transfer catalysts

    Indian Academy of Sciences (India)

    T Balakrishnan; S Damodar Kumar

    2000-08-01

    The kinetics of induced decomposition of potassium peroxomonosulphate (PMS) by the phase transfer catalysts (PTC), viz. tetrabutylammonium chloride [TBAC] and tetrabutylphosphonium chloride [TBPC] have been investigated. The effect of [PMS], [PTC], ionic strength of the medium and temperature on the rate of decomposition of PMS was studied. The rate of decomposition of PMS was monitored under pseudo-first-order condition at a constant temperature (50 ± 0 1°C). The rate of decomposition was first order with respect to PMS for TBAC and half order for TBPC. The order with respect of PTC was found to be unity for TBAC and half order for TBPC. A suitable kinetic scheme has been proposed to account for the experimental data and its significance is discussed.

  14. Heat transfer and fluid mechanics measurements in transitional boundary layers on convex-curved surfaces

    Science.gov (United States)

    Wang, T.; Simon, T. W.

    1987-01-01

    The test section of the present experiment to ascertain the effects of convex curvature and freestream turbulence on boundary layer momentum and heat transfer during natural transition provided a two-dimensional boundary layer flow on a uniformly heated curved surface, with bending to various curvature radii, R. Attention is given to results for the cases of R = infinity, 180 cm, and 90 cm, each with two freestream turbulence intensity levels. While the mild convex curvature of R = 180 cm delays transition, further bending to R = 90 cm leads to no signifucant further delay of transition. Cases with both curvature and higher freestream disturbance effects exhibit the latter's pronounced dominance. These data are pertinent to the development of transition prediction models for gas turbine blade design.

  15. Heat transfer and fluid mechanics measurements in transitional boundary layer flows

    Science.gov (United States)

    Wang, T.; Simon, T. W.; Buddhavarapu, J.

    1985-01-01

    Experimental results are presented to document hydrodynamic and thermal development of flat-plate boundary layers undergoing natural transition. Local heat transfer coefficients, skin friction coefficients and profiles of velocity, temperature and Reynolds normal and shear stresses are presented. A case with no transition and transitional cases with 0.68 percent and 2.0 percent free-stream disturbance intensities were investigated. The locations of transition are consistent with earlier data. A late-laminar state with significant levels of turbulence is documented. In late-transitional and early-turbulent flows, turbulent Prandtl number and conduction layer thickness values exceed, and the Reynolds analogy factor is less than, values previously measured in fully turbulent flows.

  16. Mechanically induced intramolecular electron transfer in a mixed-valence molecular shuttle

    Science.gov (United States)

    Barnes, Jonathan C.; Fahrenbach, Albert C.; Dyar, Scott M.; Frasconi, Marco; Giesener, Marc A.; Zhu, Zhixue; Liu, Zhichang; Hartlieb, Karel J.; Carmieli, Ranaan; Wasielewski, Michael R.; Stoddart, J. Fraser

    2012-01-01

    The kinetics and thermodynamics of intramolecular electron transfer (IET) can be subjected to redox control in a bistable [2]rotaxane comprised of a dumbbell component containing an electron-rich 1,5-dioxynaphthalene (DNP) unit and an electron-poor phenylene-bridged bipyridinium (P-BIPY2+) unit and a cyclobis (paraquat-p-phenylene) (CBPQT4+) ring component. The [2]rotaxane exists in the ground-state co-conformation (GSCC) wherein the CBPQT4+ ring encircles the DNP unit. Reduction of the CBPQT4+ leads to the CBPQT2(•+) diradical dication while the P-BIPY2+ unit is reduced to its P-BIPY•+ radical cation. A radical-state co-conformation (RSCC) results from movement of the CBPQT2(•+) ring along the dumbbell to surround the P-BIPY•+ unit. This shuttling event induces IET to occur between the pyridinium redox centers of the P-BIPY•+ unit, a property which is absent between these redox centers in the free dumbbell and in the 1∶1 complex formed between the CBPQT2(•+) ring and the radical cation of methyl-phenylene-viologen (MPV•+). Using electron paramagnetic resonance (EPR) spectroscopy, the process of IET was investigated by monitoring the line broadening at varying temperatures and determining the rate constant (kET = 1.33 × 107 s-1) and activation energy (ΔG‡ = 1.01 kcal mol-1) for electron transfer. These values were compared to the corresponding values predicted, using the optical absorption spectra and Marcus–Hush theory. PMID:22685213

  17. Atomistic MD simulation reveals the mechanism by which CETP penetrates into HDL enabling lipid transfer from HDL to CETP

    Science.gov (United States)

    Cilpa-Karhu, Geraldine; Jauhiainen, Matti; Riekkola, Marja-Liisa

    2015-01-01

    Inhibition of cholesterol ester transfer protein (CETP), a protein mediating transfer of neutral lipids between lipoproteins, has been proposed as a means to elevate atheroprotective HDL subpopulations and thereby reduce atherosclerosis. However, off-target and adverse effects of the inhibition have raised doubts about the molecular mechanism of CETP-HDL interaction. Recent experimental findings have demonstrated the penetration of CETP into HDL. However, atomic level resolution of CETP penetration into HDL, a prerequisite for a better understanding of CETP functionality and HDL atheroprotection, is missing. We constructed an HDL particle that mimics the actual human HDL mass composition and investigated for the first time, by large-scale atomistic molecular dynamics, the interaction of an upright CETP with a human HDL-mimicking model. The results demonstrated how CETP can penetrate the HDL particle surface, with the formation of an opening in the N barrel domain end of CETP, put in evidence the major anchoring role of a tryptophan-rich region of this domain, and unveiled the presence of a phenylalanine barrier controlling further access of HDL-derived lipids to the tunnel of CETP. The findings reveal novel atomistic details of the CETP-HDL interaction mechanism and can provide new insight into therapeutic strategies. PMID:25424006

  18. Dynamics of a novel robotic leg based on the Peaucellier–Lipkin mechanism on linear paths during the transfer phase

    Directory of Open Access Journals (Sweden)

    Diego Alfredo Núñez-Altamirano

    2016-07-01

    Full Text Available This article deals with the kinematics and dynamics of a novel leg based on the Peaucellier–Lipkin mechanism, which is better known as the straight path tracer. The basic Peaucellier–Lipkin linkage with 1 degree of freedom was transformed into a more skillful mechanism, through the addition of 4 more degrees of freedom. The resulting 5-degree-of-freedom leg enables the walking machine to move along paths that are straight lines and/or concave or convex curves. Three degrees of freedom transform the leg in relation to a reachable center of rotation that the machine walks around. Once the leg is transformed, the remaining 2 degrees of freedom position the foot at a desirable Cartesian point during the transfer or support phase. We analyzed the direct and inverse kinematics developed for the leg when the foot describes a straight line and found some interesting relationships among the motion parameters. The dynamic model equations of motion for the leg were derived from the Lagrangian dynamic formulation to calculate the required torques during a particular transfer phase.

  19. Sensitisation of Eu(III)- and Tb(III)-based luminescence by Ir(III) units in Ir/lanthanide dyads: evidence for parallel energy-transfer and electron-transfer based mechanisms.

    Science.gov (United States)

    Sykes, Daniel; Cankut, Ahmet J; Ali, Noorshida Mohd; Stephenson, Andrew; Spall, Steven J P; Parker, Simon C; Weinstein, Julia A; Ward, Michael D

    2014-05-07

    A series of blue-luminescent Ir(III) complexes with a pendant binding site for lanthanide(III) ions has been synthesized and used to prepare Ir(III)/Ln(III) dyads (Ln = Eu, Tb, Gd). Photophysical studies were used to establish mechanisms of Ir→Ln (Ln = Tb, Eu) energy-transfer. In the Ir/Gd dyads, where direct Ir→Gd energy-transfer is not possible, significant quenching of Ir-based luminescence nonetheless occurred; this can be ascribed to photoinduced electron-transfer from the photo-excited Ir unit (*Ir, (3)MLCT/(3)LC excited state) to the pendant pyrazolyl-pyridine site which becomes a good electron-acceptor when coordinated to an electropositive Gd(III) centre. This electron transfer quenches the Ir-based luminescence, leading to formation of a charge-separated {Ir(4+)}˙-(pyrazolyl-pyridine)˙(-) state, which is short-lived possibly due to fast back electron-transfer (transfer pathway is again operative and leads to sensitisation of Eu-based and Tb-based emission using the energy liberated from the back electron-transfer process. In addition direct Dexter-type Ir→Ln (Ln = Tb, Eu) energy-transfer occurs on a similar timescale, meaning that there are two parallel mechanisms by which excitation energy can be transferred from *Ir to the Eu/Tb centre. Time-resolved luminescence measurements on the sensitised Eu-based emission showed both fast and slow rise-time components, associated with the PET-based and Dexter-based energy-transfer mechanisms respectively. In the Ir/Tb dyads, the Ir→Tb energy-transfer is only just thermodynamically favourable, leading to rapid Tb→Ir thermally-activated back energy-transfer and non-radiative deactivation to an extent that depends on the precise energy gap between the *Ir and Tb-based (5)D4 states. Thus, the sensitised Tb(iii)-based emission is weak and unusually short-lived due to back energy transfer, but nonetheless represents rare examples of Tb(III) sensitisation by a energy donor that could be excited using visible

  20. Study on Synergistic Mechanism of Inhibitor Mixture Based on Electron Transfer Behavior

    Science.gov (United States)

    Han, Peng; He, Yang; Chen, Changfeng; Yu, Haobo; Liu, Feng; Yang, Hong; Ma, Yue; Zheng, Yanjun

    2016-01-01

    Mixing is an important method to improve the performance of surfactants due to their synergistic effect. The changes in bonding interaction and adsorption structure of IM and OP molecules before and after co-adsorbed on Fe(001) surface is calculated by DFTB+ method. It is found that mixture enable the inhibitor molecules with higher EHOMO donate more electrons while the inhibitor molecules with lower ELUMO accept more electrons, which strengthens the bonding interaction of both inhibitor agent and inhibitor additive with metal surface. Meanwhile, water molecules in the compact layer of double electric layer are repulsed and the charge transfer resistance during the corrosion process increases. Accordingly, the correlation between the frontier orbital (EHOMO and ELUMO of inhibitor molecules and the Fermi level of metal) and inhibition efficiency is determined. Finally, we propose a frontier orbital matching principle for the synergistic effect of inhibitors, which is verified by electrochemical experiments. This frontier orbital matching principle provides an effective quantum chemistry calculation method for the optimal selection of inhibitor mixture. PMID:27671332

  1. A code-independent technique for computational verification of fluid mechanics and heat transfer problems

    Institute of Scientific and Technical Information of China (English)

    M. Garbey; C. Picard

    2008-01-01

    The goal of this paper is to present a versatile framework for solution verification of PDE's.We first generalize the Richardson Extrapolation technique to an optimized extrapolation solution procedure that constructs the best consistent solution from a set of two or three coarse grid solution in the discrete norm of choice. This technique generalizes the Least Square Extrapolation method introduced by one of the author and W. Shyy. We second establish the conditioning number of the problem in a reduced space that approximates the main feature of the numerical solution thanks to a sensitivity analysis. Overall our method produces an a posteriori error estimation in this reduced space of approximation. The key feature of our method is that our construction does not require an internal knowledge of the software neither the source code that produces the solution to be verified. It can be applied in principle as a postprocessing procedure to off the shelf commercial code. We demonstrate the robustness of our method with two steady problems that are separately an incompressible back step flow test case and a heat transfer problem for a battery. Our error estimate might be ultimately verified with a near by manufactured solution. While our procedure is systematic and requires numerous computation of residuals, one can take advantage of distributed computing to get quickly the error estimate.

  2. Micro-dynamic Behavior and Self-adjusting Water Transmit Mechanism of Water-transferring Composite

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zengzhi; XU Hongmei; MA Dandan; ZHAO Jin

    2011-01-01

    Constructional and micro-dynamic process of the water-transferring composite was analyzed.This composite can transmit water to soil with a self-adjustable speed to ensure the survival of seedlings in arid and semi-arid regions when it is embedded in soil around the roots of the seedlings.It is obtained from natural plant fiber coated with a colloid made by mixing a certain proportion of polyacrylamide and montmorillonite.The rules of water being transmitted to soil by the coating under different condition were tested by M-30 quick moisture measure instrument.The process of water-desorption of the coating material was investigated by a Perkin Elmer Diamond S Ⅱ thermal multi-analyzer.Moreover,the micro-dynamic behavior was detected by a FEIQuanta 2000 environment scanning electron microscope.The results demonstrate that montmorillonite has lower water-desorption energy barrier than polyacrylamide and can lose water more easily.montmorillonite particles bridge up to be the main water-transmit material at low water potential (when the soil relatively dry or when the temperature is high),and they break bridge at high water potential while the polyacrylamide acts as the main water-transmit material.

  3. Clinical Physiology and Mechanism of Dizocilpine (MK-801: Electron Transfer, Radicals, Redox Metabolites and Bioactivity

    Directory of Open Access Journals (Sweden)

    Peter Kovacic

    2010-01-01

    Full Text Available Dizocilpine (MK-801, an extensively investigated drug possessing secondary amine and benzenoid functions, displays a wide array of biological properties, including anticonvulsant and anesthetic. There is scant discussion of biomechanism. A relevant, important finding is formation of oxidative metabolites in the hydroxylamine and phenolic categories. Analogy to cocaine metabolites suggests participation of redox entities, such as, hydroxylamine, nitroxide and nitrosonium, which can lead to electron transfer and radical formation. There is also similarity to metabolism by 3,3′-iminodipropionitrile and phencyclidine. Alternatively, the phenolic metabolites are well-known precursors of ET quinones. The review documents various physiological effects, mainly involving the central nervous system. Also of interest are the pro- and anti-oxidant properties. Considerable attention has been paid to MK-801 as an antagonist of the N-methyl-D-aspartate receptor in the glutamate category. This aspect is often associated with effects on the central nervous system. The review also provides recent literature dealing with MK-801/NMDA receptor in various areas of bioactivity. Studies were made of MK-801 involvement in working memory processing. Deficits in behavior were noted after administration of the drug. Treatment of mice with dizocilpine induced learning impairment. The influence of MK-801 on fear has been investigated. The substance is known to exert an analgesic effect in pain control. A number of reports deal with anesthetic properties.

  4. Study on Synergistic Mechanism of Inhibitor Mixture Based on Electron Transfer Behavior

    Science.gov (United States)

    Han, Peng; He, Yang; Chen, Changfeng; Yu, Haobo; Liu, Feng; Yang, Hong; Ma, Yue; Zheng, Yanjun

    2016-09-01

    Mixing is an important method to improve the performance of surfactants due to their synergistic effect. The changes in bonding interaction and adsorption structure of IM and OP molecules before and after co-adsorbed on Fe(001) surface is calculated by DFTB+ method. It is found that mixture enable the inhibitor molecules with higher EHOMO donate more electrons while the inhibitor molecules with lower ELUMO accept more electrons, which strengthens the bonding interaction of both inhibitor agent and inhibitor additive with metal surface. Meanwhile, water molecules in the compact layer of double electric layer are repulsed and the charge transfer resistance during the corrosion process increases. Accordingly, the correlation between the frontier orbital (EHOMO and ELUMO of inhibitor molecules and the Fermi level of metal) and inhibition efficiency is determined. Finally, we propose a frontier orbital matching principle for the synergistic effect of inhibitors, which is verified by electrochemical experiments. This frontier orbital matching principle provides an effective quantum chemistry calculation method for the optimal selection of inhibitor mixture.

  5. Insights into the Proton Transfer Mechanism of a Bilin Reductase PcyA Following Neutron Crystallography.

    Science.gov (United States)

    Unno, Masaki; Ishikawa-Suto, Kumiko; Kusaka, Katsuhiro; Tamada, Taro; Hagiwara, Yoshinori; Sugishima, Masakazu; Wada, Kei; Yamada, Taro; Tomoyori, Katsuaki; Hosoya, Takaaki; Tanaka, Ichiro; Niimura, Nobuo; Kuroki, Ryota; Inaka, Koji; Ishihara, Makiko; Fukuyama, Keiichi

    2015-04-29

    Phycocyanobilin, a light-harvesting and photoreceptor pigment in higher plants, algae, and cyanobacteria, is synthesized from biliverdin IXα (BV) by phycocyanobilin:ferredoxin oxidoreductase (PcyA) via two steps of two-proton-coupled two-electron reduction. We determined the neutron structure of PcyA from cyanobacteria complexed with BV, revealing the exact location of the hydrogen atoms involved in catalysis. Notably, approximately half of the BV bound to PcyA was BVH(+), a state in which all four pyrrole nitrogen atoms were protonated. The protonation states of BV complemented the protonation of adjacent Asp105. The "axial" water molecule that interacts with the neutral pyrrole nitrogen of the A-ring was identified. His88 Nδ was protonated to form a hydrogen bond with the lactam O atom of the BV A-ring. His88 and His74 were linked by hydrogen bonds via H3O(+). These results imply that Asp105, His88, and the axial water molecule contribute to proton transfer during PcyA catalysis.

  6. The human operator transfer function: Identification of the limb mechanics subsystem

    Science.gov (United States)

    Jones, Lynette A.; Hunter, Ian W.

    1991-01-01

    The objective of our research is to decompose the performance of the human operator in terms of the subsystems that determine the operator's responses in order to establish how the dynamics of these component subsystems influence the operator's performance. In the present experiment, the dynamic stiffness of the human elbow joint was measured at rest and under different levels of biceps muscle activation; this work forms part of the analysis of the limb mechanics subsystem.

  7. A wave-mechanical model of incoherent neutron scattering II. Role of the momentum transfer

    OpenAIRE

    Frauenfelder, Hans; Young, Robert D.; Fenimore, Paul W.

    2015-01-01

    We recently introduced a wave-mechanical model for quasi-elastic neutron scattering (QENS) in proteins. We call the model ELM for "Energy Landscape Model". We postulate that the spectrum of the scattered neutrons consists of lines of natural width shifted from the center by fluctuations. ELM is based on two facts: Neutrons are wave packets; proteins have low-lying substates that form the free-energy landscape (FEL). Experiments suggest that the wave packets are a few hundred micrometers long....

  8. Identification of a Novel Transcript and Regulatory Mechanism for Microsomal Triglyceride Transfer Protein

    Science.gov (United States)

    Suzuki, Takashi; Brown, Judy J.; Swift, Larry L.

    2016-01-01

    Microsomal triglyceride transfer protein (MTP) is essential for the assembly of triglyceride-rich apolipoprotein B-containing lipoproteins. Previous studies in our laboratory identified a novel splice variant of MTP in mice that we named MTP-B. MTP-B has a unique first exon (1B) located 2.7 kB upstream of the first exon (1A) for canonical MTP (MTP-A). The two mature isoforms, though nearly identical in sequence and function, have different tissue expression patterns. In this study we report the identification of a second MTP splice variant (MTP-C), which contains both exons 1B and 1A. MTP-C is expressed in all the tissues we tested. In cells transfected with MTP-C, protein expression was less than 15% of that found when the cells were transfected with MTP-A or MTP-B. In silico analysis of the 5’-UTR of MTP-C revealed seven ATGs upstream of the start site for MTP-A, which is the only viable start site in frame with the main coding sequence. One of those ATGs was located in the 5’-UTR for MTP-A. We generated reporter constructs in which the 5’-UTRs of MTP-A or MTP-C were inserted between an SV40 promoter and the coding sequence of the luciferase gene and transfected these constructs into HEK 293 cells. Luciferase activity was significantly reduced by the MTP-C 5’-UTR, but not by the MTP-A 5’-UTR. We conclude that alternative splicing plays a key role in regulating MTP expression by introducing unique 5’-UTRs, which contain elements that alter translation efficiency, enabling the cell to optimize MTP levels and activity. PMID:26771188

  9. Gene recruitment--a common mechanism in the evolution of transfer RNA gene families.

    Science.gov (United States)

    Wang, Xiujuan; Lavrov, Dennis V

    2011-04-01

    The evolution of alloacceptor transfer RNAs (tRNAs) has been traditionally thought to occur vertically and reflect the evolution of the genetic code. Yet there have been several indications that a tRNA gene could evolve horizontally, from a copy of an alloacceptor tRNA gene in the same genome. Earlier, we provided the first unambiguous evidence for the occurrence of such "tRNA gene recruitment" in nature--in the mitochondrial (mt) genome of the demosponge Axinella corrugata. Yet the extent and the pattern of this process in the evolution of tRNA gene families remained unclear. Here we analyzed tRNA genes from 21 mt genomes of demosponges as well as nuclear genomes of rhesus macaque, chimpanzee and human. We found four new cases of alloacceptor tRNA gene recruitment in mt genomes and eleven cases in the nuclear genomes. In most of these cases we observed a single nucleotide substitution at the middle position of the anticodon, which resulted in the change of not only the tRNA's amino-acid identity but also the class of the amino-acyl tRNA synthetases (aaRSs) involved in amino-acylation. We hypothesize that the switch to a different class of aaRSs may have prevented the conflict between anticodon and amino-acid identities of recruited tRNAs. Overall our results suggest that gene recruitment is a common phenomenon in tRNA multigene family evolution and should be taken into consideration when tRNA evolutionary history is reconstructed.

  10. Natural transformation as a mechanism of horizontal gene transfer among environmental Aeromonas species.

    Science.gov (United States)

    Huddleston, Jennifer R; Brokaw, Joshua M; Zak, John C; Jeter, Randall M

    2013-06-01

    Aeromonas species are common inhabitants of aquatic environments and relevant as human pathogens. Their potential as pathogens may be related in part to lateral transfer of genes associated with toxin production, biofilm formation, antibiotic resistance, and other virulence determinants. Natural transformation has not been characterized in aeromonads. DNA from wild-type, prototrophic strains that had been isolated from environmental sources was used as donor DNA in transformation assays with auxotrophs as the recipients. Competence was induced in 20% nutrient broth during the stationary phase of growth. Optimal transformation assay conditions for one chosen isolate were in Tris buffer with magnesium or calcium, pH 5-8, and a saturating concentration of 0.5 μg of DNA per assay (3.3 ng of DNA μl⁻¹) at 30°C. Sodium was also required and could not be replaced with ammonium, potassium, or lithium. The maximal transformation frequency observed was 1.95 × 10⁻³ transformants (recipient cell)⁻¹. A survey of environmental Aeromonas auxotrophic recipients (n=37), assayed with donor DNA from other wild-type environmental aeromonads under optimal assay conditions, demonstrated that 73% were able to act as recipients, and 100% were able to act as donors to at least some other aeromonads. Three different transformation groups were identified based on each isolates' ability to transform other strains with its DNA. The transformation groups roughly corresponded to phylogenetic groups. These results demonstrate that natural transformation is a general property of Aeromonas environmental isolates with implications for the genetic structures of coincident Aeromonas populations.

  11. Design of an ultrahigh vacuum transfer mechanism to interconnect an oxide molecular beam epitaxy growth chamber and an x-ray photoemission spectroscopy analysis system

    Energy Technology Data Exchange (ETDEWEB)

    Rutkowski, M. M.; Zeng Zhaoquan [Department of Physics, Ohio State University, Columbus, Ohio 43210 (United States); McNicholas, K. M. [Department of Electrical and Computer Engineering, Ohio State University, Columbus, Ohio 43210 (United States); Brillson, L. J. [Department of Physics, Ohio State University, Columbus, Ohio 43210 (United States); Department of Electrical and Computer Engineering, Ohio State University, Columbus, Ohio 43210 (United States)

    2013-06-15

    We designed a mechanism and the accompanying sample holders to transfer between a VEECO 930 oxide molecular beam epitaxy (MBE) and a PHI Versa Probe X-ray photoemission spectroscopy (XPS) chamber within a multiple station growth, processing, and analysis system through ultrahigh vacuum (UHV). The mechanism consists of four parts: (1) a platen compatible with the MBE growth stage, (2) a platen compatible with the XPS analysis stage, (3) a sample coupon that is transferred between the two platens, and (4) the accompanying UHV transfer line. The mechanism offers a robust design that enables transfer back and forth between the growth chamber and the analysis chamber, and yet is flexible enough to allow transfer between standard sample holders for thin film growth and masked sample holders for making electrical contacts and Schottky junctions, all without breaking vacuum. We used this mechanism to transfer a barium strontium titanate thin film into the XPS analysis chamber and performed XPS measurements before and after exposing the sample to the air. After air exposure, a thin overlayer of carbon was found to form and a significant shift ({approx}1 eV) in the core level binding energies was observed.

  12. Design of an ultrahigh vacuum transfer mechanism to interconnect an oxide molecular beam epitaxy growth chamber and an x-ray photoemission spectroscopy analysis system

    Science.gov (United States)

    Rutkowski, M. M.; McNicholas, K. M.; Zeng, Zhaoquan; Brillson, L. J.

    2013-06-01

    We designed a mechanism and the accompanying sample holders to transfer between a VEECO 930 oxide molecular beam epitaxy (MBE) and a PHI Versa Probe X-ray photoemission spectroscopy (XPS) chamber within a multiple station growth, processing, and analysis system through ultrahigh vacuum (UHV). The mechanism consists of four parts: (1) a platen compatible with the MBE growth stage, (2) a platen compatible with the XPS analysis stage, (3) a sample coupon that is transferred between the two platens, and (4) the accompanying UHV transfer line. The mechanism offers a robust design that enables transfer back and forth between the growth chamber and the analysis chamber, and yet is flexible enough to allow transfer between standard sample holders for thin film growth and masked sample holders for making electrical contacts and Schottky junctions, all without breaking vacuum. We used this mechanism to transfer a barium strontium titanate thin film into the XPS analysis chamber and performed XPS measurements before and after exposing the sample to the air. After air exposure, a thin overlayer of carbon was found to form and a significant shift (˜1 eV) in the core level binding energies was observed.

  13. Design of an ultrahigh vacuum transfer mechanism to interconnect an oxide molecular beam epitaxy growth chamber and an x-ray photoemission spectroscopy analysis system.

    Science.gov (United States)

    Rutkowski, M M; McNicholas, K M; Zeng, Zhaoquan; Brillson, L J

    2013-06-01

    We designed a mechanism and the accompanying sample holders to transfer between a VEECO 930 oxide molecular beam epitaxy (MBE) and a PHI Versa Probe X-ray photoemission spectroscopy (XPS) chamber within a multiple station growth, processing, and analysis system through ultrahigh vacuum (UHV). The mechanism consists of four parts: (1) a platen compatible with the MBE growth stage, (2) a platen compatible with the XPS analysis stage, (3) a sample coupon that is transferred between the two platens, and (4) the accompanying UHV transfer line. The mechanism offers a robust design that enables transfer back and forth between the growth chamber and the analysis chamber, and yet is flexible enough to allow transfer between standard sample holders for thin film growth and masked sample holders for making electrical contacts and Schottky junctions, all without breaking vacuum. We used this mechanism to transfer a barium strontium titanate thin film into the XPS analysis chamber and performed XPS measurements before and after exposing the sample to the air. After air exposure, a thin overlayer of carbon was found to form and a significant shift (~1 eV) in the core level binding energies was observed.

  14. Self sensitized photooxidation of N-methyl phenothiazine: acidity control of the competition between electron and energy transfer mechanisms.

    Science.gov (United States)

    Manju, Thankamoniamma; Manoj, Narayanapillai; Braun, André M; Oliveros, Esther

    2012-11-01

    The reaction pathways following electronic excitation of 10-methyl phenothiazine (MPS) in the presence of oxygen have been investigated as a contribution to establish the mechanisms involved in the phototoxic reactions related to phenothiazine drugs. In the context of previously published results, the pathways of oxidation via the radical cation and/or by reactive oxygen species, such as singlet oxygen and superoxide anion, are of particular interest. The effects of polarity of the medium as well as of proton donors on the different reaction pathways, in particular on the formation of reactive oxygen species and the intermediates of the oxidation of 10-methyl phenothiazine, have been investigated. No reaction was observed in non-polar solvents. In polar solvents, both self-sensitized and sensitized singlet oxygen generation lead to the oxidation of MPS and the production of 10-methyl phenothiazine sulfoxide (MPSO) most probably via a zwitterionic persulfoxide. During self-sensitized photooxidation of MPS in the presence of proton donors, such as carboxylic acids, the zwitterionic intermediate is protonated to the corresponding cation that in turn facilitates the reaction with a second molecule of MPS. In the presence of strong acids however, the formation of the radical cation of MPS and of the superoxide anion, by electron transfer from the triplet excited state of MPS to molecular oxygen, competes efficiently with singlet oxygen formation. In this case, the scavenging of the superoxide anion by protons to yield its conjugated acid (hydroperoxyl radical) and the subsequent disproportionation of the latter prevents back electron transfer.

  15. Encapsulation of 3-hydroxyflavone and fisetin in β-cyclodextrins: Excited state proton transfer fluorescence and molecular mechanics studies

    Science.gov (United States)

    Banerjee, Anwesha; Sengupta, Pradeep K.

    2006-06-01

    Excited-state intramolecular proton-transfer (ESIPT) and dual emission properties (emission profile, anisotropy and decay kinetics) of 3-hydroxyflavone (a synthetic, model flavonol) and fisetin (3,7,3',4'-OH-flavone, a therapeutically active plant flavonol) have been exploited to study their encapsulation in nano-cavities comprising of natural and chemically modified β-cyclodextrins. In the presence of β-CDs, both the flavonols show significantly enhanced relative yields (along with changes in other emission parameters) of the tautomer emission. In addition, for fisetin, large blue shifts are observed for the normal emission (which has significant charge transfer character). From these we infer that the flavonols are encaged in predominantly hydrophobic micro-environments, where external hydrogen bonding perturbations (interfering with the intrinsic ESIPT), and dipolar relaxation effects, are minimized. This is further explained from results of molecular mechanics calculations which indicate selectivity in orientation of the encapsulated flavonols. Moreover, chemical modification of the β-CDs is found to profoundly influence the binding affinities of the guest flavonols.

  16. Groundwater dynamics in wetland soils control the production and transfer mechanisms of dissolved reactive phosphorus in an agricultural landscape

    Science.gov (United States)

    Dupas, Rémi; Gu, Sen; Gruau, Gérard; Gascuel-Odoux, Chantal

    2015-04-01

    Because of its high sorption affinity on soils solid phase, mitigation options to reduce diffuse P transfer usually focus on trapping particulate P forms delivered via surface flowpaths. Therefore, vegetated buffer zones placed between croplands and watercourses have been promoted worldwide, sometimes in wetland areas. To investigate the risk of such P trapping riparian wetlands (RWs) releasing dissolved P to rivers, we monitored molybdate reactive P (MRP) in the free soil solution of two RWs in an intensively farmed catchment. Two main mechanisms causing MRP release were identified in light of the geochemical and hydrological conditions in the RWs, controlled by groundwater dynamics. First, soil rewetting after the dry summer was associated with the presence of a pool of mobile P, limited in size. Its mobilization started under conditions of water saturation caused by groundwater uprise in RW organo-mineral soil horizons. Second, the establishment of anoxic conditions in the end of the winter caused reductive solubilization of Fe oxide-hydroxide, along with release of P. Comparison between sites revealed that the first MRP release occurred only in a RW with P enriched soils, whereas the second was recorded even in a RW with a low soil P status. Seasonal variations in MRP concentrations in the stream were synchronized with those in RW soils. Hence, enriched and/or periodically anoxic RWs can act as a key component of the P transfer continuum in agricultural landscapes by converting particulate P from croplands into MRP released to rivers.

  17. Bond breaks of nucleotides by dissociative electron transfer of nonequilibrium prehydrated electrons: a new molecular mechanism for reductive DNA damage.

    Science.gov (United States)

    Wang, Chun-Rong; Nguyen, Jenny; Lu, Qing-Bin

    2009-08-19

    DNA damage is a central mechanism in the pathogenesis and treatment of human diseases, notably cancer. Little is known about reductive DNA damage in causing genetic mutations during oncogenesis and killing cancer cells during radiotherapy. The prehydrated electron (e(-)(pre)) has the highest yield among all the radicals generated in cells during ionizing radiation and has subpicosecond lifetimes (10(-13) s) and energies below 0 eV, but its role in DNA damage is unknown. In this work, our real-time measurements by femtosecond time-resolved laser spectroscopy have revealed that while adenine and cytosine can effectively trap an e(-)(pre) to form stable anions, thymidine and especially guanine are highly susceptible to dissociative electron transfer of e(-)(pre), leading to bond dissociation in DNA. Our finding demonstrates a dissociative electron transfer pathway for reductive DNA damage that might be related to various diseases such as cancer and stroke. Moreover, this finding challenges the conventional notion that damage to the genome is mainly induced by the oxidizing OH* radical and might eventually lead to improved radiotherapy of cancer and radioprotection of humans.

  18. On the reaction mechanism of the complete intermolecular O2 transfer between mononuclear nickel and manganese complexes with macrocyclic ligands.

    Science.gov (United States)

    Zapata-Rivera, Jhon; Caballol, Rosa; Calzado, Carmen J; Liakos, Dimitrios G; Neese, Frank

    2014-10-01

    The recently described intermolecular O2 transfer between the side-on Ni-O2 complex [(12-TMC)Ni-O2](+) and the manganese complex [(14-TMC)Mn](2+), where 12-TMC and 14-TMC are 12- and 14-membered macrocyclic ligands, 12-TMC=1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane and 14-TMC=1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane, is studied by means of DFT methods. B3LYP calculations including long-range corrections and solvent effects are performed to elucidate the mechanism. The potential energy surfaces (PESs) compatible with different electronic states of the reactants have been analyzed. The calculations confirm a two-step reaction, with a first rate-determining bimolecular step and predict the exothermic character of the global process. The relative stability of the products and the reverse barrier are in line with the fact that no reverse reaction is experimentally observed. An intermediate with a μ-η(1):η(1)-O2 coordination and two transition states are identified on the triplet PES, slightly below the corresponding stationary points of the quintet PES, suggesting an intersystem crossing before the first transition state. The calculated activation parameters and the relative energies of the two transition sates and the products are in very good agreement with the experimental data. The calculations suggest that a superoxide anion is transferred during the reaction.

  19. The Deceptively Simple N170 Reflects Network Information Processing Mechanisms Involving Visual Feature Coding and Transfer Across Hemispheres

    Science.gov (United States)

    Ince, Robin A. A.; Jaworska, Katarzyna; Gross, Joachim; Panzeri, Stefano; van Rijsbergen, Nicola J.; Rousselet, Guillaume A.; Schyns, Philippe G.

    2016-01-01

    A key to understanding visual cognition is to determine “where”, “when”, and “how” brain responses reflect the processing of the specific visual features that modulate categorization behavior—the “what”. The N170 is the earliest Event-Related Potential (ERP) that preferentially responds to faces. Here, we demonstrate that a paradigmatic shift is necessary to interpret the N170 as the product of an information processing network that dynamically codes and transfers face features across hemispheres, rather than as a local stimulus-driven event. Reverse-correlation methods coupled with information-theoretic analyses revealed that visibility of the eyes influences face detection behavior. The N170 initially reflects coding of the behaviorally relevant eye contralateral to the sensor, followed by a causal communication of the other eye from the other hemisphere. These findings demonstrate that the deceptively simple N170 ERP hides a complex network information processing mechanism involving initial coding and subsequent cross-hemispheric transfer of visual features. PMID:27550865

  20. Kinetics and Mechanism of Electron Transfer to Heptavalent Manganese by DL-Aspartic Acid in Alkaline Aqueous and Micellar Media

    Directory of Open Access Journals (Sweden)

    M. Sanjana

    2013-01-01

    Full Text Available The kinetics and mechanism of the electron transfer of dl-Aspartic acid (Asp by Mn (VII in alkaline medium has been studied spectrophotometrically over the range 2.0≤103[Asp] ≤5.0 mol dm−3; 0.01≤[OH-]≤0.05 mol dm−3; 298≤T≤318 K and I=0.05 mol dm−3 (KNO3. The reaction exhibits first-order dependence in [MnO4-]T but shows fractional-order dependence in both [Asp]T and [OH−]T. The reaction was studied in the presence of sodium dodecyl sulfate (SDS; an increase in the rate with the increase in the micellar concentration was observed. The products were characterized by spectral analysis. A mechanism involving free radicals is proposed. Asp binds MnO4- to form a complex that subsequently decomposes to products. Activation parameters ΔH° (kJ mol−1 and ΔS° (JK−1 mol−1 for the reaction are 5.62 ± 0.35 and −227.65 ± 1.1, respectively. The negative value of ΔS° indicates that oxidation occurs via inner sphere mechanism.

  1. Transfer of the magnetic axis of an undulator to mechanical fiducial marks of a laser tracker system

    Energy Technology Data Exchange (ETDEWEB)

    Ketenoğlu, Bora [Department of Engineering Physics, Ankara University, Tandoğan, Ankara 06100 (Turkey); European XFEL, Albert-Einstein-Ring 19, Hamburg 22761 (Germany); Englisch, Uwe; Li, Yuhui; Wolff-Fabris, Frederik [European XFEL, Albert-Einstein-Ring 19, Hamburg 22761 (Germany); Benecke, Wolf; Noak, Martin; Prenting, Johannes; Schloesser, Markus [Deutsches Elektronen-Synchrotron (DESY), Notkestrasse 85, Hamburg 22607 (Germany); Pflueger, Joachim, E-mail: joachim.pflueger@xfel.eu [European XFEL, Albert-Einstein-Ring 19, Hamburg 22761 (Germany)

    2016-02-01

    The exact geometric location of the magnetic centers of sensors or sensor systems using Hall probes or pick-up coils is usually not known with high precision. In order to transfer the high spatial accuracy of magnetic measurements to external mechanic fiducials a device called “Magnetic Landmark” was developed and is described in this report. Its purpose is to establish the exact relation between “magnetic” coordinates used on magnetic measurement systems and “mechanic” coordinates used for alignment. The landmark consists of a permanent magnet configuration, which generates a field distribution with well-defined zero crossings in two orthogonal directions, which can be exactly localized with micrometer precision using magnetic measurement systems. For the “mechanic” measurements several redundant monuments for laser fiducials can be used. Using flip tests for the magnetic as well as mechanic measurements the center positions are determined in magnetic and mechanic coordinates. Using them the relation between the magnetic and surveying coordinates can be established with high accuracy. This report concentrates on the description of the landmark. A thorough analysis on achievable accuracy is presented. The method was developed for the alignment of the 91 undulator segments needed for the European XFEL but can be applied to other magnet systems as well.

  2. Charge-transfer state excitation as the main mechanism of the photodarkening process in ytterbium-doped aluminosilicate fibres

    Energy Technology Data Exchange (ETDEWEB)

    Bobkov, K K; Rybaltovsky, A A; Vel' miskin, V V; Likhachev, M E; Bubnov, M M; Dianov, E M [Fiber Optics Research Center, Russian Academy of Sciences, Moscow (Russian Federation); Umnikov, A A; Gur' yanov, A N; Vechkanov, N N [G.G.Devyatykh Institute of Chemistry of High-Purity Substances, Russian Academy of Sciences, Nizhnii Novgorod (Russian Federation); Shestakova, I A [Open Joint-Stock Company M.F. Stel' makh Polyus Research Institute, Moscow (Russian Federation)

    2014-12-31

    We have studied photodarkening in ytterbium-doped fibre preforms with an aluminosilicate glass core. Analysis of their absorption and luminescence spectra indicates the formation of stable Yb{sup 2+} ions in the glass network under IR laser pumping at a wavelength λ = 915 nm and under UV irradiation with an excimer laser (λ = 193 nm). We have performed comparative studies of the luminescence spectra of the preforms and crystals under excitation at a wavelength of 193 nm. The mechanism behind the formation of Yb{sup 2+} ions and aluminium – oxygen hole centres (Al-OHCs), common to ytterbium-doped YAG crystals and aluminosilicate glass, has been identified: photoinduced Yb{sup 3+} charge-transfer state excitation. (optical fibres)

  3. Computational fluid mechanical study of the convective heat transfer in a closed space simulating an infant incubator.

    Science.gov (United States)

    Yamaguchi, T; Taylor, T W; Okino, H; Horio, H; Hasegawa, T

    1996-01-01

    The uneven distribution of the ambient temperature in a model of an infant incubator was demonstrated using the computational fluid mechanical (CFM) simulation of the air flow. A finite volume method of CFM calculation was performed on a three-dimensional (3D) model of an infant incubator including a model baby. The time course of the temperature distribution was computed solving the heat transfer equations simultaneously with the momentum equations. An uneven temperature distribution was observed for a long period (60 s) after the warm inflow was introduced into the incubator chamber. The temperature distribution was complex in 3D space and unsteady even after a long time, suggesting that it may take a considerable time to settle and may continue to be unsteady even if the inflow velocity is steady.

  4. A specialized bird pollination system with a bellows mechanism for pollen transfer and staminal food body rewards.

    Science.gov (United States)

    Dellinger, Agnes S; Penneys, Darin S; Staedler, Yannick M; Fragner, Lena; Weckwerth, Wolfram; Schönenberger, Jürg

    2014-07-21

    Bird pollination has evolved repeatedly among flowering plants but is almost exclusively characterized by passive transfer of pollen onto the bird and by nectar as primary reward [1, 2]. Food body rewards are exceedingly rare among eudicot flowering plants and are only known to occur on sterile floral organs [3]. In this study, we report an alternative bird pollination mechanism involving bulbous stamen appendages in the Neotropical genus Axinaea (Melastomataceae). We studied the pollination process by combining pollination experiments, video monitoring, and detailed analyses of stamen structure and metabolomic composition. We show that the bulbous stamen appendages, which are consumed by various species of passerines (Thraupidae, Fringillidae), are bifunctional during the pollination process. First, the appendages work as bellows organs in a unique pollen expulsion mechanism activated by the passerines. As the birds seize an appendage with their beaks in order to remove it from the flower for consumption, air contained in the appendage's aerenchymatous tissue is pressed into the hollow anther. The resulting air flow causes the expulsion of a pollen jet and the deposition of pollen on the bird's head and beak. Second, the stamen appendages provide a hexose-rich, highly nutritious (15,100 J/g) food body reward for the pollinating passerines. This discovery expands our knowledge of flowering plant pollination systems and provides the first report of highly specialized bellows organs for active pollen transfer in flowering plants. In addition, this is the only known case of a food body reward associated with reproductive structures in the eudicot clade of flowering plants. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

    Energy Technology Data Exchange (ETDEWEB)

    Barros, Tiago Ferreira de

    2009-09-24

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

  6. Analysis of Load Transfer Mechanism in Cu Reinforced with Carbon Nanotubes Fabricated by Powder Metallurgy Route

    Science.gov (United States)

    Akbarpour, Mohammad Reza

    2016-05-01

    In this research, ductile and high-strength Cu-carbon nanotube (Cu-CNT) composites with different volume fractions of CNTs were fabricated using powder metallurgy route including mechanical milling and hot pressing and microstructure and tensile properties of the resulting materials were studied. Microstructural characterization through scanning electron microscope and quantifying the CNT agglomeration revealed that uniform dispersion of CNTs in Cu matrix decreases with increasing CNT volume fraction. In case of the higher volume fraction of CNTs (i.e., 8 vol.%), ~ 40% of CNTs were observed as agglomerates in the microstructure. Compared to unreinforced Cu, the yield and ultimate tensile strengths increased considerably (about 33% and 12%, respectively) with incorporation of CNTs up to 4 vol.%, but remained constant afterward. Meanwhile, the elongation decreased from 15.6% for Cu to 6.9% for Cu with 8 vol.% CNT. The relationship between the change in yield strength of the composite and the microstructure was investigated using analytical models. The results showed good consistency between calculated and measured data when the negative effect of CNT agglomerates in the models were taken into account.

  7. Load transfer mechanics between trans-tibial prosthetic socket and residual limb--dynamic effects.

    Science.gov (United States)

    Jia, Xiaohong; Zhang, Ming; Lee, Winson C C

    2004-09-01

    The effects of inertial loads on the interface stresses between trans-tibial residual limb and prosthetic socket were investigated. The motion of the limb and prosthesis was monitored using a Vicon motion analysis system and the ground reaction force was measured by a force platform. Equivalent loads at the knee joint during walking were calculated in two cases with and without consideration of the material inertia. A 3D nonlinear finite element (FE) model based on the actual geometry of residual limb, internal bones and socket liner was developed to study the mechanical interaction between socket and residual limb during walking. To simulate the friction/slip boundary conditions between the skin and liner, automated surface-to-surface contact was used. The prediction results indicated that interface pressure and shear stress had the similar double-peaked waveform shape in stance phase. The average difference in interface stresses between the two cases with and without consideration of inertial forces was 8.4% in stance phase and 20.1% in swing phase. The maximum difference during stance phase is up to 19%. This suggests that it is preferable to consider the material inertia effect in a fully dynamic FE model.

  8. Alkali halide solutions under thermal gradients: soret coefficients and heat transfer mechanisms.

    Science.gov (United States)

    Römer, Frank; Wang, Zilin; Wiegand, Simone; Bresme, Fernando

    2013-07-11

    We report an extensive analysis of the non-equilibrium response of alkali halide aqueous solutions (Na(+)/K(+)-Cl(-)) to thermal gradients using state of the art non-equilibrium molecular dynamics simulations and thermal diffusion forced Rayleigh scattering experiments. The coupling between the thermal gradient and the resulting ionic salt mass flux is quantified through the Soret coefficient. We find the Soret coefficient is of the order of 10(-3) K(-1) for a wide range of concentrations. These relatively simple solutions feature a very rich behavior. The Soret coefficient decreases with concentration at high temperatures (higher than T ∼ 315 K), whereas it increases at lower temperatures. In agreement with previous experiments, we find evidence for sign inversion in the Soret coefficient of NaCl and KCl solutions. We use an atomistic non-equilibrium molecular dynamics approach to compute the Soret coefficients in a wide range of conditions and to attain further microscopic insight on the heat transport mechanism and the behavior of the Soret coefficient in aqueous solutions. The models employed in this work reproduce the magnitude of the Soret coefficient, and the general dependence of this coefficient with temperature and salt concentration. We use the computer simulations as a microscopic approach to establish a correlation between the sign and magnitude of the Soret coefficients and ionic solvation and hydrogen bond structure of the solutions. Finally, we report an analysis of heat transport in ionic solution by quantifying the solution thermal conductivity as a function of concentration. The simulations accurately reproduce the decrease of the thermal conductivity with increasing salt concentration that is observed in experiments. An explanation of this behavior is provided.

  9. Structure-Derived Proton-Transfer Mechanism of Action Human Pyruvate Dehydrogenase

    Science.gov (United States)

    Ciszak, Ewa; Dominiak, Paulina

    2003-01-01

    The derivative of vitamin B1 thiamin pyrophosphate (TPP) is a cofactor of pyruvate dehydrogenase (E1p) that is involved in decarboxylation of pyruvate followed by reductive acetylation of lipoic acid covalently bound to a lysine residue of dihydrolipoamide acetyltransferase. The structure of E1p recently determined in our laboratory revealed patterns of association of foul subunits and specifics of two TPP binding sites. The mechanism of action in part includes a conserved hydrogen bond between the N1' atom of the aminopyrimidine ring of the cofactor and the carboxylate group of Glu59 from the beta subunits, and a V-conformation of the cofactor that brings the N4' atom of the aminopyrimidine ring to the distance of the intramolecular hydrogen bond formed with the C2-atom of the thiazolium moiety. The carboxylate group of Glu59 is the local proton acceptor that enables proton translocation within the aminopyrimidine ring and stabilization of the rare N4' - iminopyrimidine tautomer. Based on the analysis of E1p structure, we postulate that the protein environment drives N4' - amino/N4' - imino dynamics resulting in a concerted shuttle-like movement of the subunits. We also propose that this movement of the subunits is strictly coordinated with the two enzymatic reactions carried out in E1p by each of the two cofactor sites. It is proposed that these reactions are in alternating phases such that when one active site is involved in decarboxylation, the other is involved in acetylation of lipoyl noiety.

  10. Drift mechanism of mass transfer on heterogeneous reaction in crystalline silicon substrate

    Energy Technology Data Exchange (ETDEWEB)

    Kukushkin, S.A. [Institute of Problems of Mechanical Engineering, Russian Academy of Science, St Petersburg, 199178 (Russian Federation); St. Petersburg National Research University of Information Technologies, Mechanics and Optics, 197101 (Russian Federation); Osipov, A.V., E-mail: Andrey.V.Osipov@gmail.com [Institute of Problems of Mechanical Engineering, Russian Academy of Science, St Petersburg, 199178 (Russian Federation); St. Petersburg National Research University of Information Technologies, Mechanics and Optics, 197101 (Russian Federation)

    2017-05-01

    This work aims to study the pressure dependence of the thickness of the epitaxial silicon carbide film growing from crystalline silicon due to the heterogeneous reaction with gaseous carbon monoxide. It turned out that this dependence exhibits the clear maximum. On further pressure increasing the film thickness decreases. The theoretical model has been developed which explains such a character of the dependence by the fact that the gaseous silicon monoxide reaction product inhibits the drift of the gaseous reagent through the channels of a crystal lattice, thus decreasing their hydraulic diameter. In the proposed hydraulic model, the dependences of the film thickness both on the gas pressure and time have been calculated. It was shown that not only the qualitative but also quantitative correspondence between theoretical and experimental results takes place. As one would expect, due to the Einstein relation, at short growth times the drift model coincides with the diffusion one. Consequences of this drift mechanism of epitaxial film growing are discussed. - Graphical abstract: This work aims to study the pressure dependence of the thickness of the epitaxial silicon carbide film growing from crystalline silicon due to the heterogeneous reaction with gaseous carbon monoxide. It turned out that this dependence exhibits the clear maximum. On further pressure increasing the film thickness decreases. The theoretical model has been developed which explains such a character of the dependence by the fact that the gaseous silicon monoxide reaction product inhibits the drift of the gaseous reagent through the channels of a crystal lattice, thus decreasing their hydraulic diameter. - Highlights: • It is established that the greater pressure, the smaller is the reaction rate. • The reaction product prevents penetration of the reagent into a reaction zone. • For description the hydraulic model of crystal lattice channels is developed. • Theoretical results for polytropic

  11. The Bubble Transport Mechanism: Indications for a bubble-mediated transfer of microorganisms from the sediment into the water column

    Science.gov (United States)

    Schmale, Oliver; Stolle, Christian; Schneider von Deimling, Jens; Leifer, Ira; Kießlich, Katrin; Krause, Stefan; Frahm, Andreas; Treude, Tina

    2015-04-01

    Gas releasing seep areas are known to impact the methane biogeochemistry in the surrounding sediment and water column. Due to microbial processes most of the methane is oxidized under anaerobic and aerobic conditions before the greenhouse gas can escape into the atmosphere. However, methane gas bubbles can largely bypass this microbial filter mechanism, enabling highly efficient transport of methane from the sediment towards the sea surface. Studies in the water column surrounding hydrocarbon seeps indicated an elevated abundance of methanotrophic microorganism in the near field of gas bubble plumes. The enhanced methane concentration in the seep-affected water column stimulates the activity of methane oxidizers and leads to a rapid rise in the abundance of methane-oxidizing microorganisms in the aging plume water. In our study we hypothesized that a bubble-mediated transport mechanisms between the benthic and pelagic habitats represents an exchange process, which transfers methanotrophic microorganisms from the sediment into the water column, a process we termed the "Bubble Transport Mechanism". This mechanism could eventually influence the pelagic methanotrophic community, thereby indirectly providing feedback mechanisms for dissolved methane concentrations in the water column and thus impacting the sea/atmosphere methane flux. To test our hypothesis, field studies were conducted at the "Rostocker Seep" site (Coal Oil Point seep area, California, USA). Catalyzed Reporter Deposition Fluorescence In Situ Hybridization (CARD-FISH) analyzes were performed to determine the abundance of aerobic and anaerobic methanotrophic microorganisms. Aerobic methane oxidizing bacteria were detected in the sediment and the water column, whereas anaerobic methanotrophs were detected exclusively in the sediment. The key device of the project was a newly developed "Bubble Catcher" used to collect naturally emanating gas bubbles at the sea floor together with particles attached to the

  12. Influence of Mode of Metal Transfer on Microstructure and Mechanical Properties of Gas Metal Arc-Welded Modified Ferritic Stainless Steel

    Science.gov (United States)

    Mukherjee, Manidipto; Pal, Tapan Kumar

    2012-06-01

    This article describes in detail the effect of the modes of metal transfer on the microstructure and mechanical properties of gas metal arc-welded modified ferritic stainless steel (SSP 409M) sheets (as received) of 4 mm thickness. The welded joints were prepared under three modes of metal transfer, i.e., short-circuit (SC), spray (S), transfer, and mix (M) mode transfer using two different austenitic filler wires (308L and 316L) and shielding gas composition of Ar + 5 pct CO2. The welded joints were evaluated by means of microstructural, hardness, notched tensile strength, Charpy impact toughness, and high cycle fatigue. The dependence of weld metal microstructure on modes of metal transfer and filler wires has been determined by dilution calculation, WRC-1992 diagram, Creq/Nieq ratio, stacking fault energy (SFE), optical microscopy (OM), and transmission electron microscopy (TEM). It was observed that the microstructure as well as the tensile, Charpy impact, and high cycle fatigue of weld metal is significantly affected by the mode of metal transfer and filler wire used. However, the heat-affected zone (HAZ) is affected only by the modes of metal transfer. The results have been correlated with the microstructures of weld and HAZ developed under different modes of metal transfer.

  13. A STUDY ON THE MECHANISM AND CHARACTER OF THE INDUSTRIAL AND SPATIAL TRANSFERENCE OF FDI IN CHINA

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    In the last two decades, China has become one of the areas that have the greatest potential in industrial production, thus it has ranked second only to USA in the flow of international capital. By the end of 1998, the real value of FDI (Foreign Direct Investment) in China has utilized has added up to $268. 1 billion. The big flow of FDI has not only promoted the development of social economy, but also worsened the existing regional difference by choosing spatial location. Under this circumstance, China's economy faces new restrictions and opportunities while adjusting its regional structure and industrial structure. So it is more and more important for us how to seize the opportunity, to seek the regularity of FDI in choosing location from the aspect of space, to set up relevant strategy to direct FDI at inland regions (areas deficient of capital), and to make appropriate policies, esp. The industrial and regional policies so as for FDI to exert positive influence and avoid negative influence on China and its regional economy and society. Based on the latest domestic and overseas materials and data of the FDI in China, combining with the investigation of the enterprises, this paper has systematically revealed the progress of development of the FDI in China and the developing conditions of the main enterprises directly invested by foreign capital since the reform and opening-up in China. The characters of FDI such as spatial concentration, transference as time goes on, change of the technical content and up-gradation of industrial structure and their forming mechanism have been studied. Then the basic conclusions have been made as follows. Firstly, FDI has been highly concentrated in space. But as time goes by, it has been transferring from coastal regions to inland ones, from big cities to their surrounding districts, and the degree of concentration is decreasing. Secondly, the technical content of the invested projects has gradually increased and the up

  14. Extracellular electron transfer to Fe(III) oxides by the hyperthermophilic archaeon Geoglobus ahangari via a direct contact mechanism.

    Science.gov (United States)

    Manzella, Michael P; Reguera, Gemma; Kashefi, Kazem

    2013-08-01

    The microbial reduction of Fe(III) plays an important role in the geochemistry of hydrothermal systems, yet it is poorly understood at the mechanistic level. Here we show that the obligate Fe(III)-reducing archaeon Geoglobus ahangari uses a direct-contact mechanism for the reduction of Fe(III) oxides to magnetite at 85°C. Alleviating the need to directly contact the mineral with the addition of a chelator or the electron shuttle anthraquinone-2,6-disulfonate (AQDS) stimulated Fe(III) reduction. In contrast, entrapment of the oxides within alginate beads to prevent cell contact with the electron acceptor prevented Fe(III) reduction and cell growth unless AQDS was provided. Furthermore, filtered culture supernatant fluids had no effect on Fe(III) reduction, ruling out the secretion of an endogenous mediator too large to permeate the alginate beads. Consistent with a direct contact mechanism, electron micrographs showed cells in intimate association with the Fe(III) mineral particles, which once dissolved revealed abundant curled appendages. The cells also produced several heme-containing proteins. Some of them were detected among proteins sheared from the cell's outer surface and were required for the reduction of insoluble Fe(III) oxides but not for the reduction of the soluble electron acceptor Fe(III) citrate. The results thus support a mechanism in which the cells directly attach and transfer electrons to the Fe(III) oxides using redox-active proteins exposed on the cell surface. This strategy confers on G. ahangari a competitive advantage for accessing and reducing Fe(III) oxides under the extreme physical and chemical conditions of hot ecosystems.

  15. Clinicians' expectations of Web 2.0 as a mechanism for knowledge transfer of stroke best practices.

    Science.gov (United States)

    David, Isabelle; Poissant, Lise; Rochette, Annie

    2012-09-13

    Health professionals are increasingly encouraged to adopt an evidence-based practice to ensure greater efficiency of their services. To promote this practice, several strategies exist: distribution of educational materials, local consensus processes, educational outreach visits, local opinion leaders, and reminders. Despite these strategies, gaps continue to be observed between practice and scientific evidence. Therefore, it is important to implement innovative knowledge transfer strategies that will change health professionals' practices. Through its interactive capacities, Web 2.0 applications are worth exploring. As an example, virtual communities of practice have already begun to influence professional practice. This study was initially developed to help design a Web 2.0 platform for health professionals working with stroke patients. The aim was to gain a better understanding of professionals' perceptions of Web 2.0 before the development of the platform. A qualitative study following a phenomenological approach was chosen. We conducted individual semi-structured interviews with clinicians and managers. Interview transcripts were subjected to a content analysis. Twenty-four female clinicians and managers in Quebec, Canada, aged 28-66 participated. Most participants identified knowledge transfer as the most useful outcome of a Web 2.0 platform. Respondents also expressed their need for a user-friendly platform. Accessibility to a computer and the Internet, features of the Web 2.0 platform, user support, technology skills, and previous technological experience were found to influence perceived ease of use and usefulness. Our results show that the perceived lack of time of health professionals has an influence on perceived behavioral intention to use it despite favorable perception of the usefulness of the Web 2.0 platform. In conclusion, female health professionals in Quebec believe that Web 2.0 may be a useful mechanism for knowledge transfer. However, lack of

  16. A case study of energy transfer mechanism from uranium to europium in ZnAl2O4 spinel host by photoluminescence spectroscopy

    Science.gov (United States)

    Kumar, Mithlesh; Mohapatra, M.

    2016-04-01

    Zinc aluminate (ZAO), a member of spinel class of inorganic compounds has been of much interest of late due to its wide range of use in catalysis, optical, electronic and ceramic industries. When doped with several lanthanides, this material has proved to be a potential host matrix for phosphors. As lanthanides suffer from poor (direct) excitation and emission cross sections, the use of a co-dopant ion can help to circumvent this and extract better emission from a lanthanide doped ZAO system. In this connection, energy transfer mechanism from uranium to europium in the ZAO host was investigated by photoluminescence spectroscopic technique. It was seen that uranium gets stabilized in the hexavalent state as UO66 - (octahedral uranate) where as the lanthanide ion, Eu is stabilized in its trivalent state in the ZAO host. In the co-doped system, an efficient energy transfer pathway from the uranate to europium ion was observed. Based upon emission and life time data a suitable mechanism was proposed for the energy transfer (quenching) process. It was proposed that after excitation by photons, the uranate ions transfer their energy to nearby 5D1 level of Eu3 + ions which non-radiatively de-excites to the corresponding lower levels of 5D0. Further this 5D0 level decays in a radiative mode to the 7F manifold giving the characteristic emission profile of trivalent Eu. It was proposed that both static and dynamic types of energy transfer mechanism were responsible for this process.

  17. A case study of energy transfer mechanism from uranium to europium in ZnAl₃O₄ spinel host by photoluminescence spectroscopy.

    Science.gov (United States)

    Kumar, Mithlesh; Mohapatra, M

    2016-04-15

    Zinc aluminate (ZAO), a member of spinel class of inorganic compounds has been of much interest of late due to its wide range of use in catalysis, optical, electronic and ceramic industries. When doped with several lanthanides, this material has proved to be a potential host matrix for phosphors. As lanthanides suffer from poor (direct) excitation and emission cross sections, the use of a co-dopant ion can help to circumvent this and extract better emission from a lanthanide doped ZAO system. In this connection, energy transfer mechanism from uranium to europium in the ZAO host was investigated by photoluminescence spectroscopic technique. It was seen that uranium gets stabilized in the hexavalent state as UO6(6-) (octahedral uranate) where as the lanthanide ion, Eu is stabilized in its trivalent state in the ZAO host. In the co-doped system, an efficient energy transfer pathway from the uranate to europium ion was observed. Based upon emission and life time data a suitable mechanism was proposed for the energy transfer (quenching) process. It was proposed that after excitation by photons, the uranate ions transfer their energy to nearby (5)D1 level of Eu(3+) ions which non-radiatively de-excites to the corresponding lower levels of (5)D0. Further this (5)D0 level decays in a radiative mode to the (7)F manifold giving the characteristic emission profile of trivalent Eu. It was proposed that both static and dynamic types of energy transfer mechanism were responsible for this process.

  18. Experimental Evidence for Branch-to-Bird Transfer as a Mechanism for Avian Dispersal of the Hemlock Woolly Adelgid (Hemiptera: Adelgidae).

    Science.gov (United States)

    Russo, Nicholas J; Cheah, Carole A S-J; Tingley, Morgan W

    2016-10-01

    Birds have long been hypothesized as primary dispersal agents of the hemlock woolly adelgid (Adelges tsugae Annand). Although A. tsugae eggs and mobile first instars (crawlers) have been collected from wild birds, key mechanistic elements necessary for avian dispersal have never been examined. To evaluate the mechanisms of bird-mediated A. tsugae dispersal, we conducted both stationary (i.e., where crawlers must actively disperse) and disturbance (i.e., where crawlers may transfer from substrates due to mechanical abrasion) dispersal trials. For stationary trials, we tested the role of perching duration, ovisac density, and seasonal timing on the rate of crawler transfer to immobile preserved bird mounts at a single site in Connecticut. For disturbance trials, we explored if transfer rates were different when branches were actively brushed against birds. Both stationary and disturbance trials resulted in successful transfers of A. tsugae to bird mounts, with disturbance trials having significantly higher rates of transfers. Crawler counts from stationary trials increased significantly with local ovisac density. Additionally, we found a nonlinear relationship between crawler transfer and experimental week, with crawler transfer highest at the beginning of sampling in May, coinciding with avian spring migration in Connecticut and the emergence of progrediens crawlers, and spiking again near 14 June, when sistens generation crawlers began to emerge. While many aspects of potential avian dispersal of A. tsugae remain unknown, these results suggest that crawler transfer to birds may occur most often when peak crawler emergence coincides with the northward migration of many small passerine bird species. © The Authors 2016. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

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

    Directory of Open Access Journals (Sweden)

    Madhumita Hazra

    2017-01-01

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

  20. Lipid exchange mechanism of the cholesteryl ester transfer protein clarified by atomistic and coarse-grained simulations.

    Directory of Open Access Journals (Sweden)

    Artturi Koivuniemi

    2012-01-01

    Full Text Available Cholesteryl ester transfer protein (CETP transports cholesteryl esters, triglycerides, and phospholipids between different lipoprotein fractions in blood plasma. The inhibition of CETP has been shown to be a sound strategy to prevent and treat the development of coronary heart disease. We employed molecular dynamics simulations to unravel the mechanisms associated with the CETP-mediated lipid exchange. To this end we used both atomistic and coarse-grained models whose results were consistent with each other. We found CETP to bind to the surface of high density lipoprotein (HDL -like lipid droplets through its charged and tryptophan residues. Upon binding, CETP rapidly (in about 10 ns induced the formation of a small hydrophobic patch to the phospholipid surface of the droplet, opening a route from the core of the lipid droplet to the binding pocket of CETP. This was followed by a conformational change of helix X of CETP to an open state, in which we found the accessibility of cholesteryl esters to the C-terminal tunnel opening of CETP to increase. Furthermore, in the absence of helix X, cholesteryl esters rapidly diffused into CETP through the C-terminal opening. The results provide compelling evidence that helix X acts as a lid which conducts lipid exchange by alternating the open and closed states. The findings have potential for the design of novel molecular agents to inhibit the activity of CETP.

  1. Photodissociation of pyrrole-ammonia clusters by velocity map imaging: mechanism for the H-atom transfer reaction.

    Science.gov (United States)

    Rubio-Lago, L; Amaral, G A; Oldani, A N; Rodríguez, J D; González, M G; Pino, G A; Bañares, L

    2011-01-21

    The photodissociation dynamics of pyrrole-ammonia clusters (PyH·(NH(3))(n), n = 2-6) has been studied using a combination of velocity map imaging and non-resonant detection of the NH(4)(NH(3))(n-1) products. The excited state hydrogen-atom transfer mechanism (ESHT) is evidenced through delayed ionization and presents a threshold around 236.6 nm, in agreement with previous reports. A high resolution determination of the kinetic energy distributions (KEDs) of the products reveals slow (∼0.15 eV) and structured distributions for all the ammonia cluster masses studied. The low values of the measured kinetic energy rule out the existence of a long-lived intermediate state, as it has been proposed previously. Instead, a direct N-H bond rupture, in the fashion of the photodissociation of bare pyrrole, is proposed. This assumption is supported by a careful analysis of the structure of the measured KEDs in terms of a discrete vibrational activity of the pyrrolyl co-fragment.

  2. Modeling of pyrolysis and combustion of large pine wood samples: comparison of different mechanisms of heat transfer

    Energy Technology Data Exchange (ETDEWEB)

    Bilbao, R.; Mastral, J.F.; Ceamanos, J.; Aldea, M.E. [University of Zaragoza (Spain)

    1997-07-01

    Pyrolysis and the combustion of wood have become very important in the production of electricity. For the optimum design of the equipment used in these processes, it is necessary to predict solid conversion under conditions as similar as possible to those observed in the actual process. Many have studied the thermal decomposition of wood. However, the prediction of solid conversion or temperature profiles when large particles and variable heat fluxes are used, has received far less attention. In order to predict these variables properly, different mechanisms of heat transfer over the sample were studied, including the convective cooling of the surface by the gases from the interior of the sample. A mathematical model includes decomposition kinetics, variable thermal properties and influence of the water content. For the validation of the model, thermal decomposition of large, slab-shaped pine wood samples under a radiant, variable heat flux with continuous measurements of solid weight loss and temperature at different points was performed. Theoretical and experimental results agree for most conditions. (author)

  3. An empirical determination of upper operational frequency limits of transferred electron mechanism in bulk GaAs and GaN through ensemble Monte Carlo particle simulations

    Science.gov (United States)

    Francis, S.; van Zyl, R. R.; Perold, W. J.

    2015-08-01

    The ensemble Monte Carlo particle simulation technique is used to determine the upper operational frequency limit of the transferred electron mechanism in bulk GaAs and GaN empirically. This mechanism manifests as a decrease in the average velocity of the electrons in the bulk material with an increase in the electric field bias, which yields the characteristic negative slope in the velocity-field curves of these materials. A novel approach is proposed whereby the hysteresis in the simulated dynamic, high-frequency velocity-field curves is exploited. The upper operational frequency limit supported by the material is defined as that frequency, where the average gradient of the dynamic characteristic curve over a radio frequency cycle approaches zero. Effects of temperature and doping level on the operational frequency limit are reported. The frequency limit thus obtained is also useful to predict the highest fundamental frequency of operation of transferred electron devices, such as Gunn diodes, which are based on materials that support the transferred electron mechanism. Based on the method presented here, the upper operational frequency limits of the transferred electron mechanism in bulk GaAs and GaN are 80 and 255 GHz, respectively, at typical doping levels and operating temperatures of Gunn diodes.

  4. Different mechanisms for hole and electron transfer along identical molecular bridges: the importance of the initial state delocalization.

    Science.gov (United States)

    Gorczak, Natalie; Tarkuç, Simge; Renaud, Nicolas; Houtepen, Arjan J; Eelkema, Rienk; Siebbeles, Laurens D A; Grozema, Ferdinand C

    2014-06-05

    We report measurements of hole and electron transfer along identical oligo-p-phenylene molecular bridges of increasing length. Although the injection barriers for hole and electron transfer are similar, we observed striking differences in the distance dependence and absolute magnitude of the rates of these two processes. Electron transfer is characterized by an almost distance-independent, fast charge-transfer rate. Hole transfer presents a much slower rate that decreases significantly with the length of the bridge. Time-dependent density functional calculations show that the observed differences can be explained by the delocalization of the respective initial excitation. The evaluation of the initial state is therefore essential when comparing charge-transfer rates between different donor-bridge-acceptor systems.

  5. Energy transfer mechanism in Yb{sup 3+}:Er{sup 3+}-ZBLAN: macro- and micro-parameters

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Z. E-mail: zmengjp@yahoo.co.jp; Nagamatsu, K.; Higashihata, M.; Nakata, Y.; Okada, T. E-mail: okada@ees.kyushu-u.ac.jp; Kubota, Y.; Nishimura, N.; Teshima, T.; Buddhudu, S

    2004-04-01

    Dynamics of forward energy transfer and backward energy transfer processes in fluorozirconate glass doubly doped with Yb{sup 3+} and Er{sup 3+} have been explained by 'rate equation' and 'fluorescence transfer function' models. From the rate equation analysis, macroscopic energy transfer parameters, the cross-relaxation coefficients, were determined to be 1.36x10{sup -17} and 3.38x10{sup -17} s{sup -1} cm{sup 3} for the forward energy transfer (Yb{sup 3+}{yields}Er{sup 3+}) and the backward transfer (Er{sup 3+}{yields}Yb{sup 3+}), respectively. Based on the fluorescence 'transfer-function' model, the kinetics of the energy transfer processes between Yb{sup 3+} and Er{sup 3+} ions has been analyzed, and the microscopic energy transfer parameters of the Yb:Er-codoped system, the critical radii, were derived as 13.0 and 18.0 A for the donor-acceptor (Yb{sup 3+}{yields}Er{sup 3+}) and the acceptor-donor (Er{sup 3+}{yields}Yb{sup 3+}), respectively. The 1.55 {mu}m band emission property of the rare-earth-codoped fluoride glass systems has been discussed.

  6. Computational insight into the initial steps of the Mars-van Krevelen mechanism: electron transfer and surface defects in the reduction of polyoxometalates.

    Science.gov (United States)

    Efremenko, Irena; Neumann, Ronny

    2012-12-26

    Metal oxides as a rule oxidize and oxygenate substrates via the Mars-van Krevelen mechanism. A well-defined α-Keggin polyoxometalate, H(5)PV(2)Mo(10)O(40), can be viewed as an analogue of discrete structure that reacts via the Mars-van Krevelen mechanism both in solution and in the gas phase. Guided by previous experimental observations, we have studied the key intermediates on the reaction pathways of its reduction by various compounds using high-level DFT calculations. These redox reactions of polyoxometalates require protons, and thus such complexes were explicitly considered. First, the energetics of outer-sphere proton and electron transfer as well as coupled proton and electron transfer were calculated for seven substrates. This was followed by identification of possible key intermediates on the subsequent reaction pathways that feature displacement of the metal atom from the Keggin structure and coordinatively unsaturated sites on the H(5)PV(2)Mo(10)O(40) surface. Such metal defects are favored at vanadium sites. For strong reducing agents the initial outer-sphere electron transfer, alone or possibly coupled with proton transfer, facilitates formation of metal defects. Subsequent coordination allows for formation of reactive ensembles on the catalyst surface, for which the selective oxygen-transfer step becomes feasible. Weak reducing agents do not facilitate defect formation by outer-sphere electron and/or proton transfers, and thus formation of metal defect structures prior to the substrate activation is suggested as an initial step. Calculated geometries and energies of metal defect structures support experimentally observed intermediates and demonstrate the complex nature of the Mars-van Krevelen mechanism.

  7. Analysis of interactions of mechanical deformations and mass transfer on heat transfer from an underground nuclear-waste repository. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Bloom, S.G.; Hulbert, L.E.

    1979-10-01

    A review of existing models identified several effects that may need consideration in further model development. Most of these effects involved coupling equations through variable property values rather than through omission of any significant mechanism. However, it was also shown that more than one mechanism may adequately simulate a given set of experimental data and additional experimental data are needed to establish which (if any) of the possible mechanisms would actually control conditions in a nuclear waste repository. In particular, it is believed that mathematical modeling of major thermomechanical effects can be accomplished with finite element analysis computer programs, provided that adequate thermomechanical property data of salt and overburden are attained. An attempt was made to develop a general set of differential equations for simulating momentum, mass, and energy flows in geologic formations in order to illustrate the possible mechanisms and point out those included and not included in existing models. Most of the mechanisms are included in some manner in existing models although some approximations may not be adequate. More experimental data are required to assess the importance of most omitted mechanisms. Analysis of some data on brine migration in salt indicated that two mechanisms, acting simultaneously, could adequately explain the flow. These are Darcy flow and a combination of ordinary and thermal diffusion enhanced by temperature-dependent solubility. Equations based on this simultaneous action correlated the data very well and indicated the possible need to include both (and, maybe other) mechanisms in future models. A program is recommended for further study of brine mobility. An expected result of this program includes recommendations for further experimental work.

  8. Analysis of interactions of mechanical deformations and mass transfer on heat transfer from an underground nuclear-waste repository. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Bloom, S.G.; Hulbert, L.E.

    1979-10-01

    A review of existing models identified several effects that may need consideration in further model development. Most of these effects involved coupling equations through variable property values rather than through omission of any significant mechanism. However, it was also shown that more than one mechanism may adequately simulate a given set of experimental data and additional experimental data are needed to establish which (if any) of the possible mechanisms would actually control conditions in a nuclear waste repository. In particular, it is believed that mathematical modeling of major thermomechanical effects can be accomplished with finite element analysis computer programs, provided that adequate thermomechanical property data of salt and overburden are attained. An attempt was made to develop a general set of differential equations for simulating momentum, mass, and energy flows in geologic formations in order to illustrate the possible mechanisms and point out those included and not included in existing models. Most of the mechanisms are included in some manner in existing models although some approximations may not be adequate. More experimental data are required to assess the importance of most omitted mechanisms. Analysis of some data on brine migration in salt indicated that two mechanisms, acting simultaneously, could adequately explain the flow. These are Darcy flow and a combination of ordinary and thermal diffusion enhanced by temperature-dependent solubility. Equations based on this simultaneous action correlated the data very well and indicated the possible need to include both (and, maybe other) mechanisms in future models. A program is recommended for further study of brine mobility. An expected result of this program includes recommendations for further experimental work.

  9. Pool Boiling of FC 770 on Graphene Oxide Coatings: A Study of Critical Heat Flux and Boiling Heat Transfer Enhancement Mechanisms

    OpenAIRE

    Sayee Mohan, Kaushik

    2016-01-01

    This thesis investigates pool boiling heat transfer from bare and graphene-coated NiCr wires in a saturated liquid of FC 770, a fluorocarbon fluid. Of particular interest was the effect of graphene-oxide platelets, dip-coated onto the heater surface, in enhancing the nucleate boiling heat transfer (BHT) rates and the critical heat flux (CHF) value. In the course of the pool boiling experiment, the primary focus was on the reduction mechanism of graphene oxide. The transition from hydrophilic ...

  10. Energy transfer mechanisms in Tb{sup 3+}, Yb{sup 3+} codoped Y{sub 2}O{sub 3} downconversion phosphor

    Energy Technology Data Exchange (ETDEWEB)

    Yuan Junlin; Zhao Jingtai; Zhang Zhijun; Chen Haohong; Yang Xinxin [Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050 (China); Zeng Xiaoyan [Institute of Solid State Physics, Chinese Academy of Sciences, PO Box 1129, Hefei 230031 (China)], E-mail: jtzhao@mail.sic.ac.cn

    2008-05-21

    Tb{sup 3+} and Yb{sup 3+} co-activated luminescent material that can cut one photon of around 483 nm into two NIR photons of around 1000 nm could be used as a downconversion luminescent convertor in front of crystalline silicon solar cell panels to reduce thermalization loss of the solar cell. The Tb{sup 3+} {yields} Yb{sup 3+} energy transfer mechanisms in the UV-blue region in Y{sub 2}O{sub 3} phosphor were studied by PL excitation spectra and time-resolved luminescence, from which the charge transfer mechanism and the cooperative transfer mechanism were identified. Tb{sup 3+} ions in the 4f{sup 7}5d{sup 1} state relax down to the {sup 5}D{sub 4} level and cooperatively transfer energy to two Yb{sup 3+} ions, which is followed by the emission of two photons ({lambda} {approx} 1000 nm). It was found in the (Y{sub 0.79}Tb{sub 0.01}Yb{sub 0.20}){sub 2}O{sub 3} sample that 37% of the Tb{sup 3+} ions at the {sup 5}D{sub 4} level transfer energy to two neighbouring Yb{sup 3+} ions by the cooperative energy transfer mechanism Tb{sup 3+} ({sup 5}D{sub 4}) {yields} 2Yb{sup 3+} ({sup 2}F{sub 5/2}). Unfortunately, the high Yb{sup 3+} concentration leads to severe concentration quenching that significantly reduces the external quantum efficiency. Moreover, the energy of the Tb{sup 3+} 4f{sup 7}5d{sup 1} state can also be lost non-radiatively or transferred to the Yb{sup 3+} {sup 2}F{sub 5/2} state via the charge transfer state Tb{sup 4+}-Yb{sup 2+}. In conclusion, RE{sup 3+} (RE = Ce, Pr, Tb) with strong absorption in the UV region is not an appropriate sensitizer of Tb{sup 3+} in Tb{sup 3+}-Yb{sup 3+} codoped downconversion phosphor.

  11. Bubble Shuttle: A newly discovered transport mechanism, which transfers microorganisms from the sediment into the water column

    Science.gov (United States)

    Schmale, O.; Stolle, C.; Leifer, I.; Schneider von Deimling, J.; Kiesslich, K.; Krause, S.; Frahm, A.; Treude, T.

    2013-12-01

    by an elevated abundance of methane-oxidizing microorganisms, which consume a considerable amount of methane before it escapes into the atmosphere. Based on our study we hypothesize that the Bubble Shuttle transport mechanism contributes to this pelagic methane sink by a sediment-water column transfer of methane oxidizing microorganisms. Furthermore, this Bubble Shuttle may influence the methanotrophic community in the water column after massive short-term submarine inputs of methane (e.g. release of methane from bore holes). Especially in deep-sea regions, where the abundance of methane oxidizing microorganisms in the water column is low in general, Bubble Shuttle may inject a relevant amount of methane oxidizing microorganisms into the water column during massive inputs, supporting indirectly the turnover of this greenhouse active trace gas in the submarine environment.

  12. Corrigendum to "The physical mechanism of "inhomogeneous; magnetization transfer MRI; [J. Magn. Reson. 274 (2017) 125-136

    Science.gov (United States)

    Manning, Alan P.; Chang, Kimberley L.; MacKay, Alex L.; Michal, Carl A.

    2017-09-01

    The authors regret that in Section 2.1.2, where the inhomogeneous magnetization transfer ratio (ihMTR) of a spin-1 system was considered, one important characteristic of the excitation under selective irradiation was neglected.

  13. Flow mechanism and heat transfer enhancement in longitudinal-flow tube bundle of shell-and-tube heat exchanger

    Institute of Scientific and Technical Information of China (English)

    LIU Wei; LIU ZhiChun; WANG YingShuang; HUANG SuYi

    2009-01-01

    ormer is superior to that of the latter.Compared with rod baffle heat exchanger,heat transfer coefficient of the heat exchanger under investigation is higher under same pressure drop,especially under the high Reynolds numbers.

  14. Conserved phosphoryl transfer mechanisms within kinase families and the role of the C8 proton of ATP in the activation of phosphoryl transfer

    CSIR Research Space (South Africa)

    Kenyon, CP

    2012-03-01

    Full Text Available and is induced to rotate on its glycosidic bond to the anti conformation as part of the overall mechanism to binding specificity. Using the same theme of using conserved amino acid residues within a group of kinases to suggest mechanistic implications...

  15. Air pollution and health implications of regional electricity transfer at generational centre and design of compensation mechanism

    Science.gov (United States)

    Relhan, Nemika

    India's electricity generation is primarily from coal. As a result of interconnection of grid and establishment of pithead power plants, there has been increased electricity transfer from one region to the other. This results in imbalance of pollution loads between the communities located in generation vis-a-vis consumption region. There may be some states, which are major power generation centres and hence are facing excessive environmental degradation. On the other hand, electricity importing regions are reaping the benefits without paying proper charges for it because present tariff structure does not include the full externalities in it. The present study investigates the distributional implications in terms of air pollution loads between the electricity generation and consumption regions at the state level. It identifies the major electricity importing and exporting states in India. Next, as a case study, it estimates the health damage as a result of air pollution from thermal power plants (TPPs) located in a critically polluted region that is one of the major generator and exporter of electricity. The methodology used to estimate the health damage is based on impact pathway approach. In this method, air pollution modelling has been performed in order to estimate the gridded Particulate Matter (PM) concentration at various receptor locations in the study domain. The air quality modeling exercise helps to quantify the air pollution concentration in each grid and also apportion the contribution of power plants to the total concentration. The health impacts as a result of PM have been estimated in terms of number of mortality and morbidity cases using Concentration Response Function (CRF's) available in the literature. Mortality has been converted into Years of Life Lost (YOLL) using life expectancy table and age wise death distribution. Morbidity has been estimated in terms of number of cases with respect to various health end points. To convert this health

  16. Excited-state proton coupled electron transfer between photolyase and the damaged DNA through water wire: a photo-repair mechanism.

    Science.gov (United States)

    Wang, Hongjuan; Chen, Xuebo; Fang, Weihai

    2014-12-14

    The photolyase enzyme absorbs blue light to repair damaged DNA through a cyclic electron transfer reaction. A description of the underlying mechanism has proven to be a challenging issue for both experimental and theoretical studies. In the present work, combined CASPT2//CASSCF/AMBER (QM/MM) calculations have been performed for damaged DNA in photolyase. A proton-coupled electron transfer (PCET) mechanism has been determined for restoring cyclobutane pyrimidine dimer (CPD) to two normal thymine bases by irradiation of photolyase. A well-defined water wire between FADH(-) and CPD was determined as a bridge to assist the PCET process within FADH(-) and thereby trigger the forward electron transfer to CPD. The subsequent CPD splitting and the alternation of the H-bond pattern proceed in a concerted way, which makes the productive backward electron transfer occur on an ultrafast timescale. A local minimum of SCT((1)ππ*)-LMin was identified on the pathway of the futile backward electron transfer (BET), which is stabilized by the strong H-bond interaction between the water wire and CPD. As a result, the futile BET process is endothermic by ∼18.0 kcal mol(-1), which is responsible for a 2.4 ns timescale inferred experimentally for the futile BET process. Besides the unbiased interpretation for the majority of the experimental findings, the present study provides a new excited-state PCET mechanism, which leads to a significant step toward a deeper understanding of the photo-repair process of damaged-DNA by the photolyase enzyme.

  17. Mechanisms of cationic liposome-mediated gene transfer%阳离子脂质体介导的基因转移机制

    Institute of Scientific and Technical Information of China (English)

    王冰; 张树彪; 周集体; 赵不凋; 杨宝灵; 崔绍辉; 赵轶男

    2011-01-01

    背景:与病毒载体相比,许多天然与合成的阳离子类脂以脂质体的形式用于基因转移,具有无免疫原性、易生产、质粒免受核酸酶降解和无致瘤性等优点,并且作为病毒载体的有效替代物,阳离子脂质体能用于细胞的体内和体外转染.目的:介绍阳离子脂质体介导的基因转移机制研究进展.方法:由第一作者用计算机检索中国期刊全文数据库(CNKI:1987/2010)和PubMed (1987/2010)数据库,检索词分别为"基因治疗、阳离子脂质体、基因转移、机制"和"gene therapy,cationic liposome,gene transfer,mechanism",语言分别设定为中文和英文.从阳离子脂质体基因转染和基因转移机制进行总结,综述了阳离子脂质体介导的基因转移机制.结果与结论:共检索到108篇,按纳入和排除标准对文献进行筛选,共纳入20篇文章.综述了阳离子脂质体介导的基因转移机制,包括阳离子脂质体/DNA复合物的形成、细胞吸收、内含体释放和复合物解体以及细胞核摄入等方面的研究内容.结果提示,对类脂构效关系和基因转移机制的研究,是提高阳离子脂质体转染效率和优化基因治疗的关键.%BACKGROUND: Compared with viral vector, many cationic lipids naturally occurred or synthesized have been used for gene transfer in the form of liposomes, which have the advantages of non-immunogenicity, simple production, plasmid protected against nuclease degradation and non-oncogenicity, etc. And cationic lipids as an effective alternative of viral vector, cationic liposomes can be used for cell transfection in vivo and in vitro.OBJECTIVE: To introduce research progress on mechanisms of cationic liposome-mediated gene transfer.METHODS: CNKl database from 1987 to 2010 and PubMed database from 1987 to 2010 were retrieved by the first author with computer. The index words were "gene therapy, cationic liposome, gene transfer, mechanism" in Chinese and English.Literatures were

  18. The mechanism by which oxygen and cytochrome c increase the rate of electron transfer from cytochrome a to cytochrome a3 of cytochrome c oxidase.

    Science.gov (United States)

    Bickar, D; Turrens, J F; Lehninger, A L

    1986-11-05

    When cytochrome c oxidase is isolated from mitochondria, the purified enzyme requires both cytochrome c and O2 to achieve its maximum rate of internal electron transfer from cytochrome a to cytochrome a3. When reductants other than cytochrome c are used, the rate of internal electron transfer is very slow. In this paper we offer an explanation for the slow reduction of cytochrome a3 when reductants other than cytochrome c are used and for the apparent allosteric effects of cytochrome c and O2. Our model is based on the conventional understanding of cytochrome oxidase mechanism (i.e. electron transfer from cytochrome a/CuA to cytochrome a3/CuB), but assumes a relatively rapid two-electron transfer between cytochrome a/CuA and cytochrome a3/CuB and a thermodynamic equilibrium in the "resting" enzyme (the enzyme as isolated) which favors reduced cytochrome a and oxidized cytochrome a3. Using the kinetic constants that are known for this reaction, we find that the activating effects of O2 and cytochrome c on the rate of electron transfer from cytochrome a to cytochrome a3 conform to the predictions of the model and so provide no evidence of any allosteric effects or control of cytochrome c oxidase by O2 or cytochrome c.

  19. The collisional relaxation of highly vibrationally excited molecules: Glimpses of the energy transfer mechanism and distribution function

    Science.gov (United States)

    Michaels, Chris Arthur

    The relaxation of highly vibrationally excited donor molecules, C4H4N2 and C6F6, (E vib ~ 5 eV), by collisions with a bath of CO2 is investigated using high resolution, infrared transient absorption spectroscopy. The vibrationally hot donor molecules are formed by 248 nm excimer laser pumping, followed by rapid radiationless decay to the ground electronic state. This technique yields the nascent bath quantum state distributions following a single donor/bath collision. Absolute energy transfer rates are measured along with the partitioning of energy among the bath degrees of freedom. These measurements provide insight into the nature of the intermolecular forces mediating the energy transfer and allow the construction of energy transfer distribution functions, P(E,E') for these systems. Pyrazine/CO2 collisions which result in the excitation of bath vibrational modes, including the anti- symmetric stretch (0001), the Fermi-mixed symmetric stretch/bending overtone (1000 r1 and 1000 r2) and the unmixed bending overtone (0220), are studied. The vibrational energy transfer is accompanied by very little rotational and translational excitation and displays the characteristic strong, inverse temperature dependence (probability of transfer increases with decreasing temperature) expected of energy transfer mediated by a long range attractive interaction. Collisions between highly vibrationally excited C6F6 and CO2, which result in significant excitation of the bath rotational and translational degrees of freedom, are examined. This type of energy transfer is mediated by the short range repulsive region of the C6F6/CO2 intermolecular potential. A gap law model is used to fit the weak temperature dependence of these scattering processes in an effort to quantify the energy transfer magnitudes. A prescription for mapping bath quantum state resolved energy transfer rate constants onto an energy transfer probability distribution function, P(E,E') is described in detail. Analysis of

  20. Antioxidant activities of [60]fullerene derivatives from chalcone, flavone and flavanone: A ONIOM approach via H-atom and electron transfer mechanism

    Science.gov (United States)

    Thong, Nguyen Minh; Dao, Duy Quang; Ngo, Thi Chinh; Huyen, Trinh Le; Nam, Pham Cam

    2016-05-01

    Antioxidant properties of C60 flavonoid conjugates were computationally examined via their O-H bond dissociation enthalpies (BDEs) and ionization energies (IEs) using two-layer ONIOM and PM6 methods, respectively. Eight ONIOM((RO)B3LYP/6-311++G(2df,2p):PM6) models were evaluated by computing BDE(O-H)s of a series of polyphenol. Synthetic mechanism of C60 flavonoid conjugates was also explored via the potential energy surfaces of reaction between C60 and malonate flavonoid derivatives (chalcone, flavone and flavanone) at the B3LYP/6-31G(d)//PM6. Antioxidant activities of C60 flavonoid conjugates were discussed via hydrogen atom transfer, single electron transfer mechanisms and the effect of C60 on the BDE(O-H)s and IEs of these compounds.

  1. Theoretical investigation of the interaction between aromatic sulfur compounds and [BMIM](+)[FeCl4](-) ionic liquid in desulfurization: A novel charge transfer mechanism.

    Science.gov (United States)

    Li, Hongping; Zhu, Wenshuai; Chang, Yonghui; Jiang, Wei; Zhang, Ming; Yin, Sheng; Xia, Jiexiang; Li, Huaming

    2015-06-01

    In this work, interaction nature between a group of aromatic sulfur compounds and [BMIM](+)[FeCl4](-) have been investigated by density functional theory (DFT). A coordination structure is found to be critical to the mechanism of extractive desulfurization. Interaction energy and extractive selectivity follow the order: thiophene (TH)ionic liquid, but steric hindrance effects of some alkylic derivatives (e.g. 2,7-dimethylbenzothiophene) lead to a weaker interaction with ionic liquid. The mechanism of extractive desulfurization is attributed to the charge transfer effect. During extractive desulfurization, electrons on aromatic sulfur compounds transfer into the Lewis part of ionic liquid, namely, [FeCl4](-). Furthermore, it is better to consider the Lewis acidity of Fe-containing ionic liquid by the whole unit (such as [FeCl4](-) and aromatic sulfur compounds (X)) rather than only Fe or S atom.

  2. Quantitative transfer of Salmonella Typhimurium LT2 during mechanical slicing of tomatoes as impacted by multiple processing variables.

    Science.gov (United States)

    Wang, Haiqiang; Ryser, Elliot T

    2016-10-03

    Slicing of fresh produce can readily lead to pathogen cross-contamination with pre-sliced tomatoes having been linked to multistate outbreaks of salmonellosis in the United States. This study aimed to assess the impact of multiple processing variables on quantitative transfer of Salmonella during simulated commercial slicing of tomatoes. One red round tomato was inoculated with Salmonella Typhimurium LT2 at ~5logCFU/g and sliced using a manual or electric slicer, followed by 20 uninoculated tomatoes. Thereafter, the distribution of Salmonella on inoculated and uninoculated tomato slices was evaluated along with the transfer of Salmonella from different parts of the slicer. The impact of multiple processing variables including post-contamination hold time (0 and 30min), tomato wetness (dry and wet), processing room temperature (23, 10 and 4°C), slice thickness (0.48, 0.64, and 0.95cm), tomato variety (Torero, Rebelski, and Bigdena) and pre-wash treatment (no wash, tap water, and chlorine) was also investigated. The data were fitted to a two-parameter exponential decay model (Y=A⋅exp(BX)) with the percentage of Salmonella transferred to 20 uninoculated tomatoes then calculated. Salmonella populations on nine inoculated tomato slices ranged from 4.6±0.2 to 5.5±0.3logCFU/g, with higher populations on slices from the blossom and stem scar ends. However, Salmonella transfer to the previously uninoculated slices was similar (P>0.05), ranging from 2.1±0.2 to 3.4±0.2logCFU/g. Significantly fewer salmonellae transferred from the blade (3.4±0.4 log CFU, P≤0.05) than from the back and bottom plates (4.7±0.3 log CFU) or the whole manual slicer (5.2±0.2 log CFU) to the 20 uninoculated tomatoes. However, the blade was the primary contributor to Salmonella transfer for the electric slicer. Post-contamination hold time, processing temperature and tomato slice thickness did not significantly impact (P>0.05) the Salmonella transfer rate (parameter B) or the overall

  3. Mechanism of intramolecular charge transfer in DNA helix as probed by the use of the fluorescent 2-aminopurine

    Institute of Scientific and Technical Information of China (English)

    ZHANG Huijuan; WANG Peng; WANG Xuefei; FENG Juan; XU Sichuan; AI Xicheng; ZHANG Xingkang; ZHANG Jianping

    2004-01-01

    As a structural analogue of adenine, 2-aminopurine (2Ap) is often used as a fluorescent probe to study the intramolecular charge transfer reaction in DNA. We have designed and synthesized a series of model DNA helix with the variation in the distance between the 2Ap probe and the GGG sequence, and have investigated, by means of picosecond time-resolved fluorescence spectroscopy, the effect of the length of the bridge (consisting of a number of transfer dynamics. The fluorescence dynamics of 2Ap exhibited three exponential decay components, the one with a time constant of a few hundred picoseconds is assigned to the intramolecular charge transfer from GGG to 2Ap. Within 2.4 nm of the donor-acceptor separation,the rate of charge transfer decreased exponentially upon increasing the separation, from which the decay factor ,β is determined to be 1.3 nm-1. Beyond 2.4 nm, however, the rate started to increase, this abnormal behavior of charge transfer is interpreted in terms of the match of electronic energies between the I-bridge and the donor/acceptor couple.

  4. A quantum chemical study of the mechanism for proton-coupled electron transfer leading to proton pumping in cytochrome c oxidase

    Science.gov (United States)

    Blomberg, Margareta R. A.; Siegbahn, Per E. M.

    2010-10-01

    The proton pumping mechanism in cytochrome c oxidase, the terminal enzyme in the respiratory chain, has been investigated using hybrid DFT with large chemical models. In previous studies, a gating mechanism was suggested based on electrostatic interpretations of kinetic experiments. The predictions from that analysis are tested here. The main result is that the suggestion of a positively charged transition state for proton transfer is confirmed, while some other suggestions for the gating are not supported. It is shown that a few critical relative energy values from the earlier studies are reproduced with quite high accuracy using the present model calculations. Examples are the forward barrier for proton transfer from the N-side of the membrane to the pump-loading site when the heme a cofactor is reduced, and the corresponding back leakage barrier when heme a is oxidised. An interesting new finding is an unexpected double-well potential for proton transfer from the N-side to the pump-loading site. In the intermediate between the two transition states found, the proton is bound to PropD on heme a. A possible purpose of this type of potential surface is suggested here. The accuracy of the present values are discussed in terms of their sensitivity to the choice of dielectric constant. Only one energy value, which is not critical for the present mechanism, varies significantly with this choice and is therefore less certain.

  5. Suicide Inhibition of Cytochrome P450 Enzymes by Cyclopropylamines via a Ring-opening Mechanism: Proton-Coupled Electron Transfer Makes a Difference

    Science.gov (United States)

    Zhang, Xiaoqian; Li, Xiao-Xi; Liu, Yufang; Wang, Yong

    2017-01-01

    N-benzyl-N-cyclopropylamine (BCA) has been attracting great interests for decades for its partial suicide inactivation role to cytochrome P450 (P450) via a ring-opening mechanism besides acting as a role of normal substrates. Understanding the mechanism of such partial inactivation is vital to the clinical drug design. Thus, density functional theoretical (DFT) calculations were carried out on such P450-catalyzed reactions, not only on the metabolic pathway, but on the ring-opening inactivation one. Our theoretical results demonstrated that, in the metabolic pathway, besides the normal carbinolamine, an unexpected enamine was formed via the dual hydrogen abstraction (DHA) process, in which the competition between rotation of the H-abstracted substrate radical and the rotation of hydroxyl group of the protonated Cpd II moiety plays a significant role in product branch; In the inactivation pathway, the well-noted single electron transfer (SET) mechanism-involved process was invalidated for its high energy barrier, a proton-coupled electron transfer (PCET(ET)) mechanism plays a role. Our results are consistent with other related theoretical works on heteroatom-hydrogen (X-H, X = O, N) activation and revealed new features. The revealed mechanisms will play a positive role in relative drug design.

  6. Suicide Inhibition of Cytochrome P450 Enzymes by Cyclopropylamines via a Ring-Opening Mechanism: Proton-Coupled Electron Transfer Makes a Difference

    Science.gov (United States)

    Zhang, Xiaoqian; Li, Xiao-Xi; Liu, Yufang; Wang, Yong

    2017-01-01

    N-benzyl-N-cyclopropylamine (BCA) has been attracting great interests for decades for its partial suicide inactivation role to cytochrome P450 (P450) via a ring-opening mechanism besides acting as a role of normal substrates. Understanding the mechanism of such partial inactivation is vital to the clinical drug design. Thus, density functional theoretical (DFT) calculations were carried out on such P450-catalyzed reactions, not only on the metabolic pathway, but on the ring-opening inactivation one. Our theoretical results demonstrated that, in the metabolic pathway, besides the normal carbinolamine, an unexpected enamine was formed via the dual hydrogen abstraction (DHA) process, in which the competition between rotation of the H-abstracted substrate radical and the rotation of hydroxyl group of the protonated Cpd II moiety plays a significant role in product branch; In the inactivation pathway, the well-noted single electron transfer (SET) mechanism-involved process was invalidated for its high energy barrier, a proton-coupled electron transfer [PCET(ET)] mechanism plays a role. Our results are consistent with other related theoretical works on heteroatom-hydrogen (X-H, X = O, N) activation and revealed new features. The revealed mechanisms will play a positive role in relative drug design. PMID:28197402

  7. Influences of Clearance of Cam-Swinging Link Mechanism in Transfer Drum on Cigarette Transfer Performance%接烟轮凸轮摆杆机构间隙对烟支交接性能的影响研究

    Institute of Scientific and Technical Information of China (English)

    周长江; 孙银方; 欧育健; 康瑛

    2014-01-01

    为研究运动副间隙对烟支交接性能的影响,基于连续接触模型建立了含间隙接烟轮凸轮摆杆机构,并结合拉格朗日方程对其进行了运动分析。通过系统仿真,得到了考虑间隙和不考虑间隙时烟支交接过程中活动手烟道中心和蜘蛛手吸爪中心的相对位移、相对速度和相对加速度的偏差量。结果表明:①运动副间隙对接烟轮凸轮摆杆机构运动性能影响较大。间隙越大,相对位移、相对速度和相对加速度的偏差波动越剧烈;间隙越小,系统运动特性越趋向于理想机构,烟支交接性能越好。②提高构件的加工精度和配合精度,可减小运动副间隙及碰撞引起的波动。③使用耐磨材料和提高摩擦副表面品质,可减少机构的磨损量。考虑运动副间隙的凸轮摆杆机构能够真实反映接烟轮机构的运动学特性,准确预测含间隙机构的交接性能,提高烟支交接系统的稳定性。%To research the influence of clearance in kinetic pairs on cigarette transfer performance, a clearance inclusive cam-swinging link mechanism was built for transfer drum on the basis of a continuous contact model, and its kinematics was analyzed by referring to Lagrange equation. Via system simulation, the deviations of relative displacement, relative velocity and relative accelerated velocity between the rod passage center of the moving catcher and the center of the suction carriers on the spider were obtained in the presence or absence of clearance. The results showed that: 1) The clearance in kinetic pairs affected the kinetic characteristics of the mechanism greatly, the deviations mentioned above fluctuated more drastically with the increase of clearance;while with the decrease of the clearance, the kinetic characteristics of the system increasingly approached to an ideal mechanism, cigarettes would be transferred more smoothly. 2) Raising machining precision and matching

  8. Separating the Mechanism-Based and Off-Target Actions of Cholesteryl Ester Transfer Protein Inhibitors With CETP Gene Polymorphisms

    NARCIS (Netherlands)

    Sofat, Reecha; Hingorani, Aroon D.; Smeeth, Liam; Humphries, Steve E.; Talmud, Philippa J.; Cooper, Jackie; Shah, Tina; Sandhu, Manjinder S.; Ricketts, Sally L.; Boekholdt, S. Matthijs; Wareham, Nicholas; Khaw, Kay Tee; Kumari, Meena; Kivimaki, Mika; Marmot, Michael; Asselbergs, Folkert W.; van der Harst, Pim; Dullaart, Robin P. F.; Navis, Gerjan; van Veldhuisen, Dirk J.; Van Gilst, Wiek H.; Thompson, John F.; McCaskie, Pamela; Palmer, Lyle J.; Arca, Marcello; Quagliarini, Fabiana; Gaudio, Carlo; Cambien, Francois; Nicaud, Viviane; Poirer, Odette; Gudnason, Vilmundur; Isaacs, Aaron; Witteman, Jacqueline C. M.; van Duijn, Cornelia M.; Pencina, Michael; Vasan, Ramachandran S.; D'Agostino, Ralph B.; Ordovas, Jose; Li, Tricia Y.; Kakko, Sakari; Kauma, Heikki; Savolainen, Markku J.; Kesaniemi, Y. Antero; Sandhofer, Anton; Paulweber, Bernhard; Sorli, Jose V.; Goto, Akimoto; Yokoyama, Shinji; Okumura, Kenji; Horne, Benjamin D.; Packard, Chris; Freeman, Dilys; Ford, Ian; Sattar, Naveed; McCormack, Valerie; Lawlor, Debbie A.; Ebrahim, Shah; Smith, George Davey; Kastelein, John J. P.; Deanfield, John; Casas, Juan P.

    2010-01-01

    Background-Cholesteryl ester transfer protein (CETP) inhibitors raise high-density lipoprotein (HDL) cholesterol, but torcetrapib, the first-in-class inhibitor tested in a large outcome trial, caused an unexpected blood pressure elevation and increased cardiovascular events. Whether the hypertensive

  9. Separating the mechanism-based and off-target actions of cholesteryl ester transfer protein inhibitors with CETP gene polymorphisms

    NARCIS (Netherlands)

    R. Sofat (Reecha); A. Hingorani (Aroon); L. Smeeth (Liam); S.E. Humphries (Steve); P.J. Talmud; J. Cooper (Jim); T. Shah (Tina); M.S. Sandhu (Manjinder); S.L. Ricketts (Sally); S.M. Boekholdt (Matthijs); N.J. Wareham (Nick); K-T. Khaw (Kay-Tee); M. Kumari (Meena); M. Kivimaki (Mika); M. Marmot (Michael); F.W. Asselbergs (Folkert); P. van der Harst (Pim); R.P.F. Dullaart (Robin); G. Navis (Gerjan); D.J. van Veldhuisen (Dirk); W.H. van Gilst (Wiek); J.F. Thompson (John); P. McCaskie (Pamela); C. Palmer (Cameron); M. Arca (Marcello); F. Quagliarini (Fabiana); C. Gaudio (Carlo); F. Cambien (François); V. Nicaud; O. Poirer (Odette); V. Gudnason (Vilmundur); A.J. Isaacs (Aaron); J.C.M. Witteman (Jacqueline); P. Tikka-Kleemola (Päivi); M. Pencina (Michael); R.S. Vasan (Ramachandran Srini); R.B. D'Agostino (Ralph); J.M. Ordovas (Jose); T.Y. Li (Tricia); S. Kakko (Sakari); H. Kauma (Heikki); M.J. Savolainen (Markku); Y.A. Kesäniemi (Antero); A. Sandhofer (Anton); B. Paulweber (Bernhard); J.V. Sorli (Jose); A. Goto (Akimoto); S. Yokoyama (Shinji); K. Okumura (Kenji); B.D. Horne (Benjamin); C. Packard (Chris); D. Freeman (Dilys); I. Ford (Ian); N. Sattar (Naveed); V. McCormack (Valerie); D.A. Lawlor (Debbie); S. Ebrahim (Shanil); G.D. Smith; J.J.P. Kastelein (John); J. Deanfield (John); J.P. Casas (Juan)

    2010-01-01

    textabstractBackground: Cholesteryl ester transfer protein (CETP) inhibitors raise high-density lipoprotein (HDL) cholesterol, but torcetrapib, the first-in-class inhibitor tested in a large outcome trial, caused an unexpected blood pressure elevation and increased cardiovascular events. Whether the

  10. Influence of radiative heat and mass transfer mechanism in system “water droplet-high-temperature gases” on integral characteristics of liquid evaporation

    Directory of Open Access Journals (Sweden)

    Glushkov Dmitrii O.

    2015-01-01

    Full Text Available Physical and mathematical (system of differential equations in private derivatives models of heat and mass transfer were developed to investigate the evaporation processes of water droplets and emulsions on its base moving in high-temperature (more than 1000 K gas flow. The model takes into account a conductive and radiative heat transfer in water droplet and also a convective, conductive and radiative heat exchange with high-temperature gas area. Water vapors characteristic temperature and concentration in small wall-adjacent area and trace of the droplet, numerical values of evaporation velocities at different surface temperature, the characteristic time of complete droplet evaporation were determined. Experiments for confidence estimation of calculated integral characteristics of processes under investigation - mass liquid evaporation velocities were conducted with use of cross-correlation recording video equipment. Their satisfactory fit (deviations of experimental and theoretical velocities were less than 15% was obtained. The influence of radiative heat and mass transfer mechanism on characteristics of endothermal phase transformations in a wide temperature variation range was established by comparison of obtained results of numerical simulation with known theoretical data for “diffusion” mechanisms of water droplets and other liquids evaporation in gas.

  11. Near-Barrierless Ammonium Bisulfate Formation via a Loop-Structure Promoted Proton-Transfer Mechanism on the Surface of Water.

    Science.gov (United States)

    Li, Lei; Kumar, Manoj; Zhu, Chongqin; Zhong, Jie; Francisco, Joseph S; Zeng, Xiao Cheng

    2016-02-17

    In the atmosphere, a well-known and conventional pathway toward the formation of ammonium sulfate is through the neutralization of sulfuric acid with ammonia (NH3) in water droplets. Here, we present direct ab initio molecular dynamics simulation evidence of the formation of ammonium bisulfate (NH4HSO4) from the hydrated NH3 and SO3 molecules in a water trimer as well as on the surface of a water droplet. This reaction suggests a new mechanism for the formation of ammonium sulfate in the atmosphere, especially when the concentration of NH3 is high (e.g., ∼10 μg m(-3)) in the air. Contrary to the water monomer and dimer, the water trimer enables near-barrierless proton transfer via the formation of a unique loop structure around the reaction center. The formation of the loop structure promotes the splitting of a water molecule in the proton-transfer center, resulting in the generation a NH4(+)/HSO4(-) ion pair. The loop-structure promoted proton-transfer mechanism is expected to be ubiquitous on the surface of cloud droplets with adsorbed NH3 and SO3 molecules and, thus, may play an important role in the nucleation of aerosol particles (e.g., fine particles PM2.5) in water droplets.

  12. Excitation energy transfer in donor-bridge-acceptor systems: a combined quantum-mechanical/classical analysis of the role of the bridge and the solvent.

    Science.gov (United States)

    Caprasecca, Stefano; Mennucci, Benedetta

    2014-08-21

    The technical application of excitation energy transfer requires a fine control of the geometry of the system. This can be achieved by introducing a chemical bridge between the donor and acceptor moieties that can be tuned in its chemical properties and its length. In such donor-bridge-acceptor systems, however, the role of the bridge in enhancing or depleting the energy transfer efficiency is not easy to predict. Here we propose a computational strategy based on the combination of time-dependent density functional theory, polarizable molecular mechanics and continuum approaches. The resulting three-layer model when applied to the study of the energy transfer process in different porphyrin-based systems, each characterized by a specific donor/acceptor pair and various types of bridges, allows us to dissect the role of through-bond and through-space mechanisms and clarify their dependence on the nature and length of the bridge as well as on the presence of a solvent.

  13. Charge-transfer mechanism for electrophilic aromatic nitration and nitrosation via the convergence of (ab initio) molecular-orbital and Marcus-Hush theories with experiments.

    Science.gov (United States)

    Gwaltney, Steven R; Rosokha, Sergiy V; Head-Gordon, Martin; Kochi, Jay K

    2003-03-19

    The highly disparate rates of aromatic nitrosation and nitration, despite the very similar (electrophilic) properties of the active species: NO(+) and NO(2)(+) in Chart 1, are quantitatively reconciled. First, the thorough mappings of the potential-energy surfaces by high level (ab initio) molecular-orbital methodologies involving extensive coupled-cluster CCSD(T)/6-31G optimizations establish the intervention of two reactive intermediates in nitration (Figure 8) but only one in nitrosation (Figure 7). Second, the same distinctive topologies involving double and single potential-energy minima (Figures 6 and 5) also emerge from the semiquantitative application of the Marcus-Hush theory to the transient spectral data. Such a striking convergence from quite different theoretical approaches indicates that the molecular-orbital and Marcus-Hush (potential-energy) surfaces are conceptually interchangeable. In the resultant charge-transfer mechanism, the bimolecular interactions of arene donors with both NO(+) and NO(2)(+) spontaneously lead (barrierless) to pi-complexes in which electron transfer is concurrent with complexation. Such a pi-complex in nitration is rapidly converted to the sigma-complex, whereas this Wheland adduct in nitrosation merely represents a high energy (transition-state) structure. Marcus-Hush analysis thus demonstrates how the strongly differentiated (arene) reactivities toward NO(+) and NO(2)(+) can actually be exploited in the quantitative development of a single coherent (electron-transfer) mechanism for both aromatic nitrosation and nitration.

  14. Sources and transfer mechanisms of dissolved organic matter during storm and inter-storm conditions in a lowland headwater catchment: constraints from high-frequency molecular data

    Directory of Open Access Journals (Sweden)

    L. Jeanneau

    2015-02-01

    Full Text Available The transfer of dissolved organic matter (DOM at soil–river interfaces controls the biogeochemistry of micropollutants and the equilibrium between continental and oceanic C reservoirs. Then determining the transfer mechanisms of DOM is of main importance for ecological and geochemical reasons. Is stream DOM the result of the flushing of pre-existing soil DOM reservoirs activated by the modification of water flow paths? The evolution of the chemical composition of stream DOM investigated by thermally assisted hydrolysis and methylation (THM using tetramethylammonium hydroxide (TMAH coupled to a gas chromatograph and mass spectrometer (THM-GC-MS during inter-storm conditions and five storm events with a high-frequency sampling gives new insights on this question. In inter-storm conditions, stream DOM is inherited from the flushing of soil DOM, while during storm events, the modification of the distribution of chemical biomarkers allows the identification of three additional mechanisms. The first one corresponds to the destabilization of microbial biofilms by the increase in water velocity resulting in the fleeting export of a microbial pool. The second mechanism corresponds to the erosion of soils and river banks leading to a partition of organic matter between particles and dissolved phase. The third mechanism is linked to the increase in water velocity in soils that could induce the erosion of macropore walls, leading to an in-soil partitioning between soil microparticles and dissolved phase. The contribution of this in-soil erosive process would be linked to the magnitude of the hydraulic gradient following the rise of water table and could persist after the recession, which could explain why the return to inter-storm composition of DOM does not follow the same temporal scheme as the discharge. Those results are of main importance to understand the transfer of nutrients and micropollutants at the soil–river interfaces during the hot moments

  15. Mass Transfer and Reaction Kinetics in the Carbonization of Magnesium Oxide from Light Calcined Magnesia with Mechanical Force Enhancement

    Institute of Scientific and Technical Information of China (English)

    张焕军; 朱国才

    2004-01-01

    The carbonization of magnesium oxide particles by CO2 was investigated using a stirring mill reactor.The effects of the system temperature, stirring rotation speed, influx rate of CO2 and initial diameter of the magnesium oxide particles on the carbonization process were determined. The results show that the system temperature and the stirring rotation speed are the most significant influencing factors on the carbonization rate. The determination of critical decomposition temperature (CDT) gives the maximum carbonization rate with other conditions fixed. A theoretical model involving mass transfer and reaction kinetics was presented for the carbonization process.The apparent activation energy was calculated to be 32.8kJ·mo1-1. The carbonization process is co-controlled by diffusive mass transfer and chemical reaction. The model fits well with the experimental results.

  16. Heat and Mass Transfer of the Droplet Vacuum Freezing Process Based on the Diffusion-controlled Evaporation and Phase Transition Mechanism

    Science.gov (United States)

    Zhang, Zhijun; Gao, Jingxin; Zhang, Shiwei

    2016-10-01

    A frozen phase transition model is developed to investigate the heat and mass transfer of a single water droplet during the vacuum freezing process. The model is based on the diffusion-controlled evaporation mechanism and phase transition characteristics. The droplet vacuum freezing process can be divided into three stages according to the droplet states and the time order. It includes the evaporation freezing stage, the isothermal freezing stage and the sublimation freezing stage. A numerical calculation is performed, and the result is analysed. The effects of the vacuum chamber pressure, initial droplet diameter and initial droplet temperature on the heat and mass transfer characteristics at each stage are studied. The droplet experiences supercooling breakdown at the end of the evaporation freezing stage before the isothermal freezing stage begins. The temperature is transiently raised as a result of the supercooling breakdown phenomenon, whose effects on the freezing process and freezing parameters are considered.

  17. 跨国公司知识转移管理机制研究%Study on Management Mechanisms of Knowledge Transfer within Multinational Corporation

    Institute of Scientific and Technical Information of China (English)

    黄蕊; 李朝明

    2014-01-01

    Based on the former research achievements,the structure,processes and relationships of knowledge transfer system both in macro and micro areas,the scientific and effective management mechanisms were proposed contrarily,and an example of Microsoft corporation was analyzed. The paper may provide the references to the MNCs for their knowledge transfer practices.%分别从宏观和微观两个层面深入分析跨国公司知识转移系统的结构、过程及关系,有针对性地提出一套较为科学、高效的管理机制,并以微软公司为例进行了案例分析,可为跨国公司的知识转移实践提供参考。

  18. 预应式切换中的信头压缩上下文转移机制%Context Transfer Mechanism of Header Compression During Predictive Handover

    Institute of Scientific and Technical Information of China (English)

    张载龙; 徐小飞; 孙雁飞

    2011-01-01

    We study context transfer mechanism to reduce large overhead in re-establishing context of header compression, and propose a two-step method for context transfer of header compression and a real-time trigger strategy for context transfer using link-layer trigger. The proposed approach avoids the expensive process of context re-establishment of header compression by transferring header compression context when handovers are required. The handover delay, packet loss and state migration of header compression with and without context transfer of header compression are evaluated with NS2. Simulation results show that the method can establish and synchronize context at the compressor and decompressor so as to reduce the handover impact on header compression.%为了解决切换过程中重新建立信头压缩上下文开销大的问题,研究了上下文转移机制,提出了一种两步信头压缩上下文转移方法和使用二层触发器的实时上下文转移触发策略,通过转移信头压缩上下文,避免切换时重新建立信头压缩上下文的过程.评估了有上下文转移和无上下文转移机制下的时延、丢包和信头压缩状态迁移情况,仿真结果表明,所提方案能够建立并同步压缩器和解压器处的上下文,减小切换对信头压缩的影响.

  19. Mitochondrial Transfer via Tunneling Nanotubes is an Important Mechanism by Which Mesenchymal Stem Cells Enhance Macrophage Phagocytosis in the In Vitro and In Vivo Models of ARDS.

    Science.gov (United States)

    Jackson, Megan V; Morrison, Thomas J; Doherty, Declan F; McAuley, Daniel F; Matthay, Michael A; Kissenpfennig, Adrien; O'Kane, Cecilia M; Krasnodembskaya, Anna D

    2016-08-01

    Mesenchymal stromal cells (MSC) have been reported to improve bacterial clearance in preclinical models of Acute Respiratory Distress Syndrome (ARDS) and sepsis. The mechanism of this effect is not fully elucidated yet. The primary objective of this study was to investigate the hypothesis that the antimicrobial effect of MSC in vivo depends on their modulation of macrophage phagocytic activity which occurs through mitochondrial transfer. We established that selective depletion of alveolar macrophages (AM) with intranasal (IN) administration of liposomal clodronate resulted in complete abrogation of MSC antimicrobial effect in the in vivo model of Escherichia coli pneumonia. Furthermore, we showed that MSC administration was associated with enhanced AM phagocytosis in vivo. We showed that direct coculture of MSC with monocyte-derived macrophages enhanced their phagocytic capacity. By fluorescent imaging and flow cytometry we demonstrated extensive mitochondrial transfer from MSC to macrophages which occurred at least partially through tunneling nanotubes (TNT)-like structures. We also detected that lung macrophages readily acquire MSC mitochondria in vivo, and macrophages which are positive for MSC mitochondria display more pronounced phagocytic activity. Finally, partial inhibition of mitochondrial transfer through blockage of TNT formation by MSC resulted in failure to improve macrophage bioenergetics and complete abrogation of the MSC effect on macrophage phagocytosis in vitro and the antimicrobial effect of MSC in vivo. Collectively, this work for the first time demonstrates that mitochondrial transfer from MSC to innate immune cells leads to enhancement in phagocytic activity and reveals an important novel mechanism for the antimicrobial effect of MSC in ARDS. Stem Cells 2016;34:2210-2223.

  20. Mechanisms of sodium and potassium ions transfer facili-tated by dibenzo-15-crown-5 across the water / 1,2-dichloro-ethane interface using micropipettes

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The transfer of sodium and potassium ions facilitated by dibenzo-15-crown-5 (DB15C5) has been studied at the micro-water/1,2-dichloroethane (water/DCE) interface supported at the tip of a micropipette. Cyclic voltammetric measurements were performed in two limiting conditions: the bulk concentration of Na+ or K+ in the aqueous phase is much higher than that of DB15C5 in the organic phase (DB15C5 diffusion controlled process) and the reverse condition (metal ion diffusion controlled process). The mechanisms of the facilitated Na+ transfer by DB15C5 are both transfer by interfacial complexation (TIC) with 1∶1 stoichiometry under these two conditions, and the corresponding association constants were determined at log β1 = 8.97 ( 0.05 or log β1 = 8.63 ( 0.03. However, the transfers of K+ facilitated by DB15C5 show different behavior. In the former case it is a TIC process and its stoichiometry is 1∶2, whereas in the latter case two peaks during the forward scan were observed, the first of which was confirmed as the formation of K+(DB15C5)2 at the interface by a TIC mechanism, while the second one may be another TIC process with 1∶1 stoichiometry in the more positive potential. The relevant association constants calculated for the complexed ion, K+(DB15C5)2, in the organic phase in two cases, logβ2, are 13.64 ( 0.03 and 11.34 ( 0.24, respectively.

  1. Enzymatic synthesis of farnesyl laurate in organic solvent: initial water activity, kinetics mechanism, optimization of continuous operation using packed bed reactor and mass transfer studies.

    Science.gov (United States)

    Rahman, N K; Kamaruddin, A H; Uzir, M H

    2011-08-01

    The influence of water activity and water content was investigated with farnesyl laurate synthesis catalyzed by Lipozyme RM IM. Lipozyme RM IM activity depended strongly on initial water activity value. The best results were achieved for a reaction medium with an initial water activity of 0.11 since it gives the best conversion value of 96.80%. The rate constants obtained in the kinetics study using Ping-Pong-Bi-Bi and Ordered-Bi-Bi mechanisms with dead-end complex inhibition of lauric acid were compared. The corresponding parameters were found to obey the Ordered-Bi-Bi mechanism with dead-end complex inhibition of lauric acid. Kinetic parameters were calculated based on this model as follows: V (max) = 5.80 mmol l(-1) min(-1) g enzyme(-1), K (m,A) = 0.70 mmol l(-1) g enzyme(-1), K (m,B) = 115.48 mmol l(-1) g enzyme(-1), K (i) = 11.25 mmol l(-1) g enzyme(-1). The optimum conditions for the esterification of farnesol with lauric acid in a continuous packed bed reactor were found as the following: 18.18 cm packed bed height and 0.9 ml/min substrate flow rate. The optimum molar conversion of lauric acid to farnesyl laurate was 98.07 ± 0.82%. The effect of mass transfer in the packed bed reactor has also been studied using two models for cases of reaction limited and mass transfer limited. A very good agreement between the mass transfer limited model and the experimental data obtained indicating that the esterification in a packed bed reactor was mass transfer limited.

  2. Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation.

    Science.gov (United States)

    Andrés, Juan; Berski, Sławomir; Silvi, Bernard

    2016-07-07

    Probing the electron density transfers during a chemical reaction can provide important insights, making possible to understand and control chemical reactions. This aim has required extensions of the relationships between the traditional chemical concepts and the quantum mechanical ones. The present work examines the detailed chemical insights that have been generated through 100 years of work worldwide on G. N. Lewis's ground breaking paper on The Atom and the Molecule (Lewis, G. N. The Atom and the Molecule, J. Am. Chem. Soc. 1916, 38, 762-785), with a focus on how the determination of reaction mechanisms can be reached applying the bonding evolution theory (BET), emphasizing how curly arrows meet electron density transfers in chemical reaction mechanisms and how the Lewis structure can be recovered. BET that combines the topological analysis of the electron localization function (ELF) and Thom's catastrophe theory (CT) provides a powerful tool providing insight into molecular mechanisms of chemical rearrangements. In agreement with physical laws and quantum theoretical insights, BET can be considered as an appropriate tool to tackle chemical reactivity with a wide range of possible applications. Likewise, the present approach retrieves the classical curly arrows used to describe the rearrangements of chemical bonds for a given reaction mechanism, providing detailed physical grounds for this type of representation. The ideas underlying the valence-shell-electron pair-repulsion (VSEPR) model applied to non-equilibrium geometries provide simple chemical explanations of density transfers. For a given geometry around a central atom, the arrangement of the electronic domain may comply or not with the VSEPR rules according with the valence shell population of the considered atom. A deformation yields arrangements which are either VSEPR defective (at least a domain is missing to match the VSEPR arrangement corresponding to the geometry of the ligands), VSEPR compliant

  3. Mechanism of kinetic energy transfer in homogeneous bidisperse gas-solid flow and its implications for segregation

    Science.gov (United States)

    Mehrabadi, Mohammad; Subramaniam, Shankar

    2017-02-01

    Most gas-solid flows encountered in nature and industrial applications are polydisperse, and the segregation or mixing of particle classes in polydisperse gas-solid flows is a phenomenon of great practical importance. A statistically homogeneous gas-solid flow with a bidisperse distribution (in size or density) of particles is a canonical representation of polydisperse flows. A key feature that distinguishes the bidisperse flow from its monodisperse counterpart is the exchange of momentum and kinetic energy between the particle classes due to collisions, which are important for applications outside the very dilute regime. The average exchange of linear momentum between particle classes due to collisions occurs through the particle-particle drag term. The conservation equations for average momentum corresponding to each particle class can be used to deduce the average slip velocity between the particle size and density classes, which is the signature of particle segregation. In this canonical problem, the steady value of particle mean slip velocity results from a balance between three terms, each in turn involving the body force or the mean fluid pressure gradient, the gas-particle drag, and the particle-particle drag. The particle-particle drag depends on the particle velocity fluctuations in each class [Louge, M. Y. et al., "The role of particle collisions in pneumatic transport," J. Fluid Mech. 231, 345-359 (1991)], thereby coupling the mean and second-moment equations. For monodisperse gas-solid flows the transfer of kinetic energy from the mean to second-moment equations was explained by Subramaniam and co-workers who proposed the conservation of interphase turbulent kinetic energy transfer principle [Xu, Y. and Subramaniam, S., "Consistent modeling of interphase turbulent kinetic energy transfer in particle-laden turbulent flows," Phys. Fluids 19(8), 085101 (2007)], and this was subsequently verified by particle-resolved direct numerical simulation [Mehrabadi

  4. Two-electron transfer and ionization mechanism in 80-keV/u Ne8 + on He collisions

    Science.gov (United States)

    Zhang, R. T.; Feng, W. T.; Zhu, X. L.; Zhang, S. F.; Guo, D. L.; Gao, Y.; Qian, D. B.; Xu, S.; Yan, S. C.; Zhang, P.; Huang, Z. K.; Wang, H. B.; Hai, B.; Zhao, D. M.; Ma, X.

    2016-03-01

    Autoionization decay from doubly excited states of Ne6 +[1 s23 l n l (n =3 ,4 ,5 )] (symmetric configurations) as well as the Coster-Kronig transition from doubly excited states of Ne6 +[1 s22 p n l (n ⩾7 ) ] (asymmetric configurations) are observed in the transfer ionization reaction channel of 80 keV/u Ne8 +-He collisions. It has been predicted that the formation of symmetric configurations results from uncorrelated double-electron capture processes [Z. Chen and C. D. Lin, Phys. Rev. A 48, 1298 (1993), 10.1103/PhysRevA.48.1298], and the formation of asymmetric configurations probably results from correlated double-electron capture caused by the dynamical electron-correlation effects which are attributed to small internuclear distances. However, previous experimental measurements were not able to obtain information about the dependence on internuclear distance which can be reflected in the transversal recoil-ion momentum. In this work, we measure the recoil-ion momentum in coincidence with the ejected electron velocity and find that the observed transverse recoil-ion momentum is smaller for the formation of symmetric Ne6 +[1 s23 l n l (n =3 ,4 ,5 ) ] states than the formation of asymmetric Ne6 +[1 s22 p n l (n ⩾7 ) ] states. Since large momentum transfer occurs for small internuclear distances (strong electron-electron interactions) and small momentum transfer occurs for large internuclear distances (weak electron-electron interactions), the results indicate that dynamical electron correlation is important for the formation of the asymmetric states.

  5. Verifying Interlevel Relations within Multi-Agent Systems

    NARCIS (Netherlands)

    Sharpanskykh, A.; Treur, J.

    2006-01-01

    An approach to handle the complex dynamics of a multi-agent system is based on distinguishing aggregation levels by structuring the system into parts or components. The behavior of every aggregation level is specified by a set of dynamic properties for components and interactions at that level, expr

  6. Wind Distributions and Interlevel Correlations, Surface to 60 km

    Science.gov (United States)

    1980-08-19

    4 4 4 N 4 . -U. ~10 e- i U’. .3 ’m K ’ !n LN U, 1 ’ L ou j 0in 3. (’ 0 N ’..4.oW In U’ ’ 4’ U ’e .4 -9 4 n UU w’ 0 d -’. 5FU ’~-N MOO t’ 4 𔃺’’’ CD a. C

  7. The mechanism and theoretical basis of the management of intensity of the heat transfer control through periodic influences on the turbulent boundary layer

    Science.gov (United States)

    Kovalnogov, Vladislav N.; Fedorov, Ruslan V.; Khakhaleva, Larisa V.; Chukalin, Andrey V.; Bondarenko, Aleksandr A.; Kovrizhnykh, Evgeny N.

    2017-07-01

    Generalization of classical model of a displacement way on the transfer of heat exchange and mass exchange of a stream in the boundary layer, confirmed by the control action of the different nature, is undertaken. Here are given the results of numerical research which have allowed explaining the mechanism, to reveal efficiency and limits of various ways of management of intensity in exchange processes. The possibility of management of intensity in processes of a thermolysis and friction by use of the perforated surface with the damping cavities is analyzed.

  8. Lipid Exchange Mechanism of the Cholesteryl Ester Transfer Protein Clarified by Atomistic and Coarse-grained Simulations

    DEFF Research Database (Denmark)

    Koivuniemi, A.; Vuorela, T.; Kovanen, P. T.

    2012-01-01

    Cholesteryl ester transfer protein (CETP) transports cholesteryl esters, triglycerides, and phospholipids between different lipoprotein fractions in blood plasma. The inhibition of CETP has been shown to be a sound strategy to prevent and treat the development of coronary heart disease. We employed...... change of helix X of CETP to an open state, in which we found the accessibility of cholesteryl esters to the C-terminal tunnel opening of CETP to increase. Furthermore, in the absence of helix X, cholesteryl esters rapidly diffused into CETP through the C-terminal opening. The results provide compelling...

  9. Extracellular electron transfer mechanism in Shewanella loihica PV-4 biofilms formed at indium tin oxide and graphite electrodes

    Digital Repository Service at National Institute of Oceanography (India)

    Jain, A.; Connolly, J.O.; Woolley, R.; Krishnamurthy, S.; Marsili, E.

    % of its original level (Figure 8). Thus, SRM mediated electron transfer from the biofilm cells to the graphite electrode accounted for the 50 % of the total current. This could be explained by the fact that not all the cells in a multi-layered biofilm (2... and phylogenetically [2], and its metal reduction and biomineralization capabilities have also been reported [6]. When S. loihica PV-4 was grown under controlled laboratory conditions, they produced higher current than S. oneidensis MR-1 [17], thus they are relevant...

  10. One-and Two-Neutron Transfer Reactions in 11Be+208Pb and Mechanism of Lowering Fusion Barrier

    Institute of Scientific and Technical Information of China (English)

    WANG Ning; LI Zhu-Xia; WU Xi-Zhen; WANG Nan; SUN Xiu-Quan

    2000-01-01

    We study one-and two-neutron transfer reactions in 11Be+208Pb by using the quantum molecular dynamics model. We find that lowering about 1-2 MeV of the potential barrier of 208Pb for fusion is gained when two neutrons separated from 11Be enter into 208Pb. Whereas no significant change of potential barrier is found when only the halo neutron separated from 11Be enters into 208Pb. The dynamical interplay between suppression and enhancement effects on the fusion probability in reaction 11Be+208Pb stemming from the easy separation of halo neutron and the long extending of neutron distribution is discussed.

  11. Strategies for Balance maintenance in Different Support Surfaces - Mechanisms, Trainability and Transfer to Single-Leg Landing Performance

    DEFF Research Database (Denmark)

    Silva, Priscila de Brito

    2016-01-01

    that postural control strategies are affected by surface stability and optimized with training, but also that the adaptations to training are transferred to movement strategies of sports gestures not involved in the training. This thesis offers a new perspective on how balance training provides protective...... effects for potentially risky movements as they occur in sports practice. Altogether the results add information about the applicability of wobble boards when assessing for impairments of postural control, the effectiveness of such device to improve postural control on healthy people and the adaptations...

  12. Dark-state mechanism for the long-time transfer of excitations in a donor–acceptor system

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Jing [Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education, Department of Physics, Hunan Normal University, Changsha 410081 (China); Zhou, Lan, E-mail: zhoulan@hunnu.edu.cn [Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education, Department of Physics, Hunan Normal University, Changsha 410081 (China); Fu, H.C. [School of Physics Science and Technology, Shenzhen University, Shenzhen 518060 (China)

    2013-08-01

    The excitation energy transfer between a donor–acceptor pair with fixed distance apart through energy exchanging with environment is investigated. The total system is modeled as two two-level systems (TLSs) interacting with many harmonic oscillators. The pair behaves coherently or incoherently, depending on whether the dipolar coupling is stronger or weaker than the TLS–environment coupling. The environmental linear dispersion relation gives an analytical solution to the pair's probability involving all the retardation times. We found that the long-time trapping of energy within the pair is caused by the inhibiting dark-state radiative decay when two TLSs are at half a resonant wavelength.

  13. Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanethiol molecules connected to gold electrodes

    Science.gov (United States)

    Li, Yang; Tu, Xingchen; Wang, Minglang; Wang, Hao; Sanvito, Stefano; Hou, Shimin

    2014-11-01

    The atomic structure and the electron transfer properties of hydrogen bonds formed between two carboxylated alkanethiol molecules connected to gold electrodes are investigated by employing the non-equilibrium Green's function formalism combined with density functional theory. Three types of molecular junctions are constructed, in which one carboxyl alkanethiol molecule contains two methylene, -CH2, groups and the other one is composed of one, two, or three -CH2 groups. Our calculations show that, similarly to the cases of isolated carboxylic acid dimers, in these molecular junctions the two carboxyl, -COOH, groups form two H-bonds resulting in a cyclic structure. When self-interaction corrections are explicitly considered, the calculated transmission coefficients of these three H-bonded molecular junctions at the Fermi level are in good agreement with the experimental values. The analysis of the projected density of states confirms that the covalent Au-S bonds localized at the molecule-electrode interfaces and the electronic coupling between -COOH and S dominate the low-bias junction conductance. Following the increase of the number of the -CH2 groups, the coupling between -COOH and S decreases deeply. As a result, the junction conductance decays rapidly as the length of the H-bonded molecules increases. These findings not only provide an explanation to the observed distance dependence of the electron transfer properties of H-bonds, but also help the design of molecular devices constructed through H-bonds.

  14. Scenario-based modelling of mass transfer mechanisms at a petroleum contaminated field site-numerical implications.

    Science.gov (United States)

    Vasudevan, M; Nambi, Indumathi M; Suresh Kumar, G

    2016-06-15

    Knowledge about distribution of dissolved plumes and their influencing factors is essential for risk assessment and remediation of light non-aqueous phase liquid contamination in groundwater. Present study deals with the applicability of numerical model for simulating various hydro-geological scenarios considering non-uniform source distribution at a petroleum contaminated site in Chennai, India. The complexity associated with the hydrogeology of the site has limited scope for on-site quantification of petroleum pipeline spillage. The change in fuel composition under mass-transfer limited conditions was predicted by simultaneously comparing deviations in aqueous concentrations and activity coefficients (between Raoult's law and analytical approaches). The effects of source migration and weathering on the dissolution of major soluble fractions of petroleum fuel were also studied in relation to the apparent change in their activity coefficients and molar fractions. The model results were compared with field observations and found that field conditions were favourable for biodegradation, especially for the aromatic fraction (benzene and toluene (nearly 95% removal), polycyclic aromatic hydrocarbons (up to 65% removal) and xylene (nearly 45% removal). The results help to differentiate the effect of compositional non-ideality from rate-limited dissolution towards tailing of less soluble compounds (alkanes and trimethylbenzene). Although the effect of non-ideality decreased with distance from the source, the assumption of spatially varying residual saturation could effectively illustrate post-spill scenario by estimating the consequent decrease in mass transfer rate.

  15. Computational Fluid Dynamics–Discrete Element Method (CFD-DEM) Study of Mass-Transfer Mechanisms in Riser Flow

    Science.gov (United States)

    2017-01-01

    We report a computational fluid dynamics–discrete element method (CFD-DEM) simulation study on the interplay between mass transfer and a heterogeneous catalyzed chemical reaction in cocurrent gas-particle flows as encountered in risers. Slip velocity, axial gas dispersion, gas bypassing, and particle mixing phenomena have been evaluated under riser flow conditions to study the complex system behavior in detail. The most important factors are found to be directly related to particle cluster formation. Low air-to-solids flux ratios lead to more heterogeneous systems, where the cluster formation is more pronounced and mass transfer more influenced. Falling clusters can be partially circumvented by the gas phase, which therefore does not fully interact with the cluster particles, leading to poor gas–solid contact efficiencies. Cluster gas–solid contact efficiencies are quantified at several gas superficial velocities, reaction rates, and dilution factors in order to gain more insight regarding the influence of clustering phenomena on the performance of riser reactors. PMID:28553011

  16. Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanethiol molecules connected to gold electrodes

    KAUST Repository

    Li, Yang

    2014-11-07

    © 2014 AIP Publishing LLC. The atomic structure and the electron transfer properties of hydrogen bonds formed between two carboxylated alkanethiol molecules connected to gold electrodes are investigated by employing the non-equilibrium Green\\'s function formalism combined with density functional theory. Three types of molecular junctions are constructed, in which one carboxyl alkanethiol molecule contains two methylene, -CH2, groups and the other one is composed of one, two, or three -CH2 groups. Our calculations show that, similarly to the cases of isolated carboxylic acid dimers, in these molecular junctions the two carboxyl, -COOH, groups form two H-bonds resulting in a cyclic structure. When self-interaction corrections are explicitly considered, the calculated transmission coefficients of these three H-bonded molecular junctions at the Fermi level are in good agreement with the experimental values. The analysis of the projected density of states confirms that the covalent Au-S bonds localized at the molecule-electrode interfaces and the electronic coupling between -COOH and S dominate the low-bias junction conductance. Following the increase of the number of the -CH2 groups, the coupling between -COOH and S decreases deeply. As a result, the junction conductance decays rapidly as the length of the H-bonded molecules increases. These findings not only provide an explanation to the observed distance dependence of the electron transfer properties of H-bonds, but also help the design of molecular devices constructed through H-bonds.

  17. Electron transfer mechanism and the locality of the system-bath interaction: a comparison of local, semilocal, and pure dephasing models.

    Science.gov (United States)

    Weiss, Emily A; Katz, Gil; Goldsmith, Randall H; Wasielewski, Michael R; Ratner, Mark A; Kosloff, Ronnie; Nitzan, Abraham

    2006-02-21

    We simulate the effects of two types of dephasing processes, a nonlocal dephasing of system eigenstates and a dephasing of semilocal eigenstates, on the rate and mechanism of electron transfer (eT) through a series of donor-bridge-acceptor systems, D-B(N)-A, where N is the number of identical bridge units. Our analytical and numerical results show that pure dephasing, defined as the perturbation of system eigenstates through the system-bath interaction, does not disrupt coherent eT because it induces no localization; electron transfer may proceed through superexchange in a system undergoing only pure dephasing. A more physically reasonable description may be obtained via a system-bath interaction that reflects the perturbation of more local electronic structure by local nuclear distortions and dipole interactions. The degree of locality of this interaction is guided by the structure of the system Hamiltonian and by the nature of the measurement performed on the system (i.e., the nature of the environment). We compare our result from this "semilocal" model with an even more local phenomenological dephasing model. We calculate electron transfer rate by obtaining nonequilibrium steady-state solutions for the elements of a reduced density matrix; a semigroup formalism is used to write down the dissipative part of the equation of motion.

  18. Electron transfer reactions

    CERN Document Server

    Cannon, R D

    2013-01-01

    Electron Transfer Reactions deals with the mechanisms of electron transfer reactions between metal ions in solution, as well as the electron exchange between atoms or molecules in either the gaseous or solid state. The book is divided into three parts. Part 1 covers the electron transfer between atoms and molecules in the gas state. Part 2 tackles the reaction paths of oxidation states and binuclear intermediates, as well as the mechanisms of electron transfer. Part 3 discusses the theories and models of the electron transfer process; theories and experiments involving bridged electron transfe

  19. Ecological Compensation Mechanism on Inter-Basin Water Transfer%跨流域调水生态补偿机制探讨

    Institute of Scientific and Technical Information of China (English)

    李浩; 黄薇; 刘陶; 彭智敏

    2011-01-01

    跨流域调水工程已经成为解决我国缺水地区水问题的重要手段之一,而由跨流域调水引发的生态补偿问题是制约调水工程社会、经济效益发挥的关键因素。目前跨流域调水生态补偿机制设计主要是沿用流域内生态补偿的一般理论与方法,导致跨流域调水生态补偿主体缺失、补偿对象不全面、补偿标准不合理、补偿方式单一,极大地限制了跨流域生态补偿实践的开展。通过比较分析流域内生态调水与跨流域调水在受工程影响、水权转移形式、涉及的利益主体关系、生态补偿主导部门、生态补偿核算标准等方面的特征,提出了以区域水权为理论基础,以生态补偿客体、补偿标准、补偿形式以及补偿保障体系为主要内容的跨流域调水生态补偿机制框架。%The inter-basin water transfer is one of the most important methods of solving water problem in water shortage regions of our country.Nevertheless,the ecological compensation,which derived from the inter-basin water transfer,is the key factor that could restrict the economic and social benefit of the water transfer project.Nowadays,when we design the mechanism of ecological compensation in inter-basin water transfer,the main adoption of general theories and methods applied in the field of inner basin leads to series problems,such as: the absence of compensation subject,incompleteness of compensation objects,irrational compensation standards,and simplicity of compensation methods.These problems greatly limit the practice of ecological compensation in inter-basin water transfer.In this paper,we have compared the different features of ecological compensation between inner-basin water conservation and inter-basin water transfer in the aspects of impacts of projects,the forms of water rights transfer,relationship of stakeholders,management departments and evaluation standards.Then,from the perspective of regional water rights

  20. Spectroscopic investigation on kinetics, thermodynamics and mechanism for electron transfer reaction of iron(III) complex with sulphur centered radical in stimulated biological system.

    Science.gov (United States)

    Deepalakshmi, S; Sivalingam, A; Kannadasan, T; Subramaniam, P; Sivakumar, P; Brahadeesh, S T

    2014-04-24

    Electron transfer reactions of biological organic sulphides with several metal ions to generate sulphide radical cations are a great concern in biochemical process. To understand the mechanism, a stimulated biological system having model compounds, iron(III)-bipyridyl complex with thio-diglycolic acid (TDGA) was investigated. Spectroscopic study reveals the kinetics and thermodynamics of the reaction in aqueous perchloric acid medium. The reaction follows first and fractional order of 0.412 with respect to [Fe(bpy)3](3+) and TDGA, respectively. The oxidation is insensitive to variation in [H(+)] but slightly decreases with increase in ionic strength ([I]). Addition of acrylamide, a radical scavenger has no effect on the rate of the reaction. The high negative value of ΔS(#) (-74.3±1.09 J K(-1) mol(-1)) indicates the complex formed has a definite orientation higher than the reactants. Based on the above results, a suitable reaction mechanism for this reaction is proposed.

  1. Introduction to heat transfer

    CERN Document Server

    SUNDÉN, B

    2012-01-01

    Presenting the basic mechanisms for transfer of heat, Introduction to Heat Transfer gives a deeper and more comprehensive view than existing titles on the subject. Derivation and presentation of analytical and empirical methods are provided for calculation of heat transfer rates and temperature fields as well as pressure drop. The book covers thermal conduction, forced and natural laminar and turbulent convective heat transfer, thermal radiation including participating media, condensation, evaporation and heat exchangers.

  2. Electronic couplings and on-site energies for hole transfer in DNA: Systematic quantum mechanical/molecular dynamic study

    Science.gov (United States)

    Voityuk, Alexander A.

    2008-03-01

    The electron hole transfer (HT) properties of DNA are substantially affected by thermal fluctuations of the π stack structure. Depending on the mutual position of neighboring nucleobases, electronic coupling V may change by several orders of magnitude. In the present paper, we report the results of systematic QM/molecular dynamic (MD) calculations of the electronic couplings and on-site energies for the hole transfer. Based on 15ns MD trajectories for several DNA oligomers, we calculate the average coupling squares ⟨V2⟩ and the energies of basepair triplets XG +Y and XA +Y, where X, Y =G, A, T, and C. For each of the 32 systems, 15 000 conformations separated by 1ps are considered. The three-state generalized Mulliken-Hush method is used to derive electronic couplings for HT between neighboring basepairs. The adiabatic energies and dipole moment matrix elements are computed within the INDO/S method. We compare the rms values of V with the couplings estimated for the idealized B-DNA structure and show that in several important cases the couplings calculated for the idealized B-DNA structure are considerably underestimated. The rms values for intrastrand couplings G-G, A-A, G-A, and A-G are found to be similar, ˜0.07eV, while the interstrand couplings are quite different. The energies of hole states G+ and A+ in the stack depend on the nature of the neighboring pairs. The XG +Y are by 0.5eV more stable than XA +Y. The thermal fluctuations of the DNA structure facilitate the HT process from guanine to adenine. The tabulated couplings and on-site energies can be used as reference parameters in theoretical and computational studies of HT processes in DNA.

  3. Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study.

    Science.gov (United States)

    Voityuk, Alexander A

    2008-03-21

    The electron hole transfer (HT) properties of DNA are substantially affected by thermal fluctuations of the pi stack structure. Depending on the mutual position of neighboring nucleobases, electronic coupling V may change by several orders of magnitude. In the present paper, we report the results of systematic QM/molecular dynamic (MD) calculations of the electronic couplings and on-site energies for the hole transfer. Based on 15 ns MD trajectories for several DNA oligomers, we calculate the average coupling squares V(2) and the energies of basepair triplets XG(+)Y and XA(+)Y, where X, Y=G, A, T, and C. For each of the 32 systems, 15,000 conformations separated by 1 ps are considered. The three-state generalized Mulliken-Hush method is used to derive electronic couplings for HT between neighboring basepairs. The adiabatic energies and dipole moment matrix elements are computed within the INDO/S method. We compare the rms values of V with the couplings estimated for the idealized B-DNA structure and show that in several important cases the couplings calculated for the idealized B-DNA structure are considerably underestimated. The rms values for intrastrand couplings G-G, A-A, G-A, and A-G are found to be similar, approximately 0.07 eV, while the interstrand couplings are quite different. The energies of hole states G(+) and A(+) in the stack depend on the nature of the neighboring pairs. The XG(+)Y are by 0.5 eV more stable than XA(+)Y. The thermal fluctuations of the DNA structure facilitate the HT process from guanine to adenine. The tabulated couplings and on-site energies can be used as reference parameters in theoretical and computational studies of HT processes in DNA.

  4. Facile fabrication of efficient AgBr-TiO{sub 2} nanoheterostructured photocatalyst for degrading pollutants and its photogenerated charge transfer mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Wenxin [Key Laboratory of Functional Inorganic Materials Chemistry (Heilongjiang University), Ministry of Education, School of Chemistry and Materials Science, Harbin 150080 (China); Jing, Liqiang, E-mail: Jinglq@hlju.edu.cn [Key Laboratory of Functional Inorganic Materials Chemistry (Heilongjiang University), Ministry of Education, School of Chemistry and Materials Science, Harbin 150080 (China); Qu, Yichun; Luan, Yunbo; Fu, Honggang; Xiao, Yuchen [Key Laboratory of Functional Inorganic Materials Chemistry (Heilongjiang University), Ministry of Education, School of Chemistry and Materials Science, Harbin 150080 (China)

    2012-12-15

    Highlights: Black-Right-Pointing-Pointer A microemulsion-like chemical precipitation is developed for AgBr-TiO{sub 2} composite. Black-Right-Pointing-Pointer The composite displays effective charge transfers between AgBr and TiO{sub 2.} Black-Right-Pointing-Pointer A charge transfer mechanism in the AgBr-TiO{sub 2} composite is suggested. Black-Right-Pointing-Pointer The suggested mechanism is responsible for the enhanced photocatalytic activity. - Abstract: A simple microemulsion-like chemical precipitation method has been successfully developed to construct effectively-contacted AgBr-TiO{sub 2} composite. The key of this method is the dual roles of Br{sup -} in the synthetic process, as linkers between cetyltrimethyl ammonium cation surfactants and nanocrystalline anatase TiO{sub 2} in the acidic condition, and as bromine sources to directly produce nanocrystalline AgBr on the surfaces of TiO{sub 2} by chemical precipitation. It is well demonstrated that the as-constructed AgBr-TiO{sub 2} nanoheterostructured composites display effective photogenerated charge transfer between AgBr and TiO{sub 2}, favorable to improve charge separation, by means of the surface photovoltage technique in different atmospheres at the aid of outer electric fields, especially for the transient surface photovoltage technique in air. And also, the Br{sup -} in crystal lattice of AgBr could effectively capture photogenerated holes under illumination. These factors are well responsible for the enhanced activity for photocatalytic degradation of liquid phase aqueous phenol solution and gas phase acetaldehyde under either UV-visible or visible irradiation, and the stability of AgBr in the photocatalytic processes.

  5. Dynamic allocation and transfer of non-structural carbohydrates, a possible mechanism for the explosive growth of Moso bamboo (Phyllostachys heterocycla)

    Science.gov (United States)

    Song, Xinzhang; Peng, Changhui; Zhou, Guomo; Gu, Honghao; Li, Quan; Zhang, Chao

    2016-05-01

    Moso bamboo can rapidly complete its growth in both height and diameter within only 35–40 days after shoot emergence. However, the underlying mechanism for this “explosive growth” remains poorly understood. We investigated the dynamics of non-structural carbohydrates (NSCs) in shoots and attached mature bamboos over a 20-month period. The results showed that Moso bamboos rapidly completed their height and diameter growth within 38 days. At the same time, attached mature bamboos transferred almost all the NSCs of their leaves, branches, and especially trunks and rhizomes to the “explosively growing” shoots via underground rhizomes for the structural growth and metabolism of shoots. Approximately 4 months after shoot emergence, this transfer stopped when the leaves of the young bamboos could independently provide enough photoassimilates to meet the carbon demands of the young bamboos. During this period, the NSC content of the leaves, branches, trunks and rhizomes of mature bamboos declined by 1.5, 23, 28 and 5 fold, respectively. The trunk contributed the most NSCs to the shoots. Our findings provide new insight and a possible rational mechanism explaining the “explosive growth” of Moso bamboo and shed new light on understanding the role of NSCs in the rapid growth of Moso bamboo.

  6. Energy transfer mechanisms in photobiological reactions. Final report, 1 April 1960--31 March 1979. [Photodynamic processes in selected biomolecules

    Energy Technology Data Exchange (ETDEWEB)

    Spikes, J.D.

    1979-03-31

    This project was concerned primarily with studies of the mechanisms of the sensitized photooxidation of selected biomolecules using a variety of phtosensitizers. Such reactions are often termed photodynamic processes. In particular we have carried out steady-state kinetic studies, flash photolysis and spectral studies, and product formation studies of the sensitized photooxidation of the five susceptible amino acids (cycteine, histidine, methonine, tryptophan, and tyrosine) and their derivatives, as well as purines and pyrimidines. A number of studies were also carried out on the mechanisms of the photodynamic inactivation of enzymes (trypsin, ribonuclease, lysozyme). Mechanism of photosensitization were studied using a variety of sensitizers including flavins, porphyrins, and a number of synthetic dyes (substituted fluoresceins, acridines, thyazines).

  7. A Mass Transfer Model Based on Individual Bubbles and an Unsteady State Film Mechanism%基于单气泡非稳膜机理的相际传质模型

    Institute of Scientific and Technical Information of China (English)

    赵斌; 王铁峰; 王金福

    2004-01-01

    A gas-liquid mass transfer model based on an unsteady state film mechanism applied to a single bubble is presented. The mathematical model was solved using Laplace transform to obtain an analytical solution of concentration profile in terms of the radial position r and time t. The dynamic mass transfer flux was deduced and the influence of the bubble size was also determined. A mathematical method for deducing the average mass transfer flux directly from the Laplace transformed concentration is presented. Its accuracy is verified by comparing the numerical results with those from the indirect method. The influences of the model parameters, namely, the bubble size R, liquid film thickness δ, and the surface renewal constant s on the average mass transfer flux were investigated. The proposed model is useful for a better understanding of the mass transfer mechanism and an optimum design of gas-liquid contact equipment.

  8. Coupling of a discrete ordinate 3-D radiant heat transfer model with the PHOENICS fluid mechanics software; Couplage d`un modele radiatif tridimensionnel aux ordonnees discretes au logiciel de mecanique des fluides phoenics

    Energy Technology Data Exchange (ETDEWEB)

    Muller, J. [IRSID, Institut de Recherches Siderurgie, 57 - Maizieres-les-Metz (France)

    1996-12-31

    Radiant heat transfer is the main solution retained in many iron and steel metallurgy installations (re-heating and annealing furnaces etc..). Today, it has become important to dispose of performing radiant heat transfer models in heat transfer and fluid mechanics simulation softwares, and well adapted to multidimensional industrial problems. This work presents the discrete ordinate radiant heat transfer model developed at the IRSID (the French institute of research in iron and steel metallurgy) and coupled with the PHOENICS heat transfer-fluid mechanics software. Three modeling approaches are presented concerning the radiative properties of gases (H{sub 2}O-CO{sub 2}). A ``weighted grey gases sum`` model gives satisfactory results for several 1-D validation cases. (J.S.) 20 refs.

  9. Peak broadening in paper chromatography and related techniques : IV. The mechanism of the mass transfer term in paper chromatography

    NARCIS (Netherlands)

    Ligny, C.L. de; Remijnse, A.G.

    1968-01-01

    The mechanism of peak broadening in paper chromatography is investigated by comparing the peak widths obtained in chromatography with those caused only by diffusion, for a set of amino acids of widely differing RF values and with eight kinds of Whatman paper. The results show that longitudinal diff

  10. Study of Mechanical Properties of Bone by Measuring Load Transfer via High-energy X-ray Diffraction

    Science.gov (United States)

    Singhal, Anjali

    Synchrotron high-energy X-ray scattering is used to investigate the in situ strains in hydroxyapatite (HAP) platelets and mineralized collagen fibrils in bovine cortical bone. Compressive load-unload tests at room temperature (27°C) and body temperature (37°C) show that the load transfer to the stiff nano-sized platelets from the surrounding compliant protein matrix does not vary significantly with temperature. This emphasizes that the stiffness of bone is controlled by the stiffness of the HAP phase, which remains unaffected by this change in temperature. Monotonic loading tests in compression and tension, conducted at 37°C, illustrate the spatial variation of properties within a single femur, which is correlated to the mineral content, porosity and microstructure of the samples. The average apparent modulus of HAP and fibrils (EappHAP and Eappfib, respectively), defined as the ratio of applied stress and phase strain, is obtained as 27.5 ± 6.6 and 18.5 ± 8.9 GPa, respectively, in compression. These values are significantly higher than the values of 20.0 ± 5.4 and 4.1 ± 2.6 GPa obtained for HAP and fibrils, respectively, in tension. The difference between the two types of loading is attributed to greater plastic deformation of collagen in tension, which results in greater strains in the collagen fibril, and concomitant greater load transfer to the HAP. Increasing synchrotron X-ray doses (5-3880 kGy) affect neither apparent HAP nor fibrillar modulus, up to stresses of -60 MPa (measured during in situ loading and unloading). However, the residual elastic strains in the HAP phase decrease markedly with increased irradiation, indicating damage at the HAP-collagen interface. Analysis of the X-ray diffraction peak widths shows that unit cells of HAP which are under the highest initial residual strains are most able to relax due to irradiation, resulting in a net decrease in the strain distribution (RMS strain). The constancy of apparent moduli is explained by

  11. Role of bonding mechanisms during transfer hydrogenation reaction on heterogeneous catalysts of platinum nanoparticles supported on zinc oxide nanorods

    Science.gov (United States)

    Al-Alawi, Reem A.; Laxman, Karthik; Dastgir, Sarim; Dutta, Joydeep

    2016-07-01

    For supported heterogeneous catalysis, the interface between a metal nanoparticle and the support plays an important role. In this work the dependency of the catalytic efficiency on the bonding chemistry of platinum nanoparticles supported on zinc oxide (ZnO) nanorods is studied. Platinum nanoparticles were deposited on ZnO nanorods (ZnO NR) using thermal and photochemical processes and the effects on the size, distribution, density and chemical state of the metal nanoparticles upon the catalytic activities are presented. The obtained results indicate that the bonding at Pt-ZnO interface depends on the deposition scheme which can be utilized to modulate the surface chemistry and thus the activity of the supported catalysts. Additionally, uniform distribution of metal on the catalyst support was observed to be more important than the loading density. It is also found that oxidized platinum Pt(IV) (platinum hydroxide) provided a more suitable surface for enhancing the transfer hydrogenation reaction of cyclohexanone with isopropanol compared to zero valent platinum. Photochemically synthesized ZnO supported nanocatalysts were efficient and potentially viable for upscaling to industrial applications.

  12. An Approach to Long-Range Electron Transfer Mechanisms in Metalloproteins: In situ Scanning Tunneling Microscopy with Submolecular Resolution

    Science.gov (United States)

    Friis, Esben P.; Andersen, Jens E. T.; Kharkats, Yu. I.; Kuznetsov, A. M.; Nichols, R. J.; Zhang, J.-D.; Ulstrup, Jens

    1999-02-01

    In situ scanning tunneling microscopy (STM) of redox molecules, in aqueous solution, shows interesting analogies and differences compared with interfacial electrochemical electron transfer (ET) and ET in homogeneous solution. This is because the redox level represents a deep indentation in the tunnel barrier, with possible temporary electronic population. Particular perspectives are that both the bias voltage and the overvoltage relative to a reference electrode can be controlled, reflected in spectroscopic features when the potential variation brings the redox level to cross the Fermi levels of the substrate and tip. The blue copper protein azurin adsorbs on gold(111) via a surface disulfide group. Well resolved in situ STM images show arrays of molecules on the triangular gold(111) terraces. This points to the feasibility of in situ STM of redox metalloproteins directly in their natural aqueous medium. Each structure also shows a central brighter contrast in the constant current mode, indicative of 2- to 4-fold current enhancement compared with the peripheral parts. This supports the notion of tunneling via the redox level of the copper atom and of in situ STM as a new approach to long-range electron tunneling in metalloproteins.

  13. Tungsten-based nanomaterials (WO3 & Bi2WO6): Modifications related to charge carrier transfer mechanisms and photocatalytic applications

    Science.gov (United States)

    Girish Kumar, S.; Koteswara Rao, K. S. R.

    2015-11-01

    Heterogeneous photocatalysis is an ideal green energy technology for the purification of wastewater. Although titania dominates as the reference photocatalyst, its wide band gap is a bottleneck for extended utility. Thus, search for non-TiO2 based nanomaterials has become an active area of research in recent years. In this regard, visible light absorbing polycrystalline WO3 (2.4-2.8 eV) and Bi2WO6 (2.8 eV) with versatile structure-electronic properties has gained considerable interest to promote the photocatalytic reactions. These materials are also explored in selective functional group transformation in organic reactions, because of low reduction and oxidation potential of WO3 CB and Bi2WO6 VB, respectively. In this focused review, various strategies such as foreign ion doping, noble metal deposition and heterostructuring with other semiconductors designed for efficient photocatalysis is discussed. These modifications not only extend the optical response to longer wavelengths, but also prolong the life-time of the charge carriers and strengthen the photocatalyst stability. The changes in the surface-bulk properties and the charge carrier transfer dynamics associated with each modification correlating to the high activity are emphasized. The presence of oxidizing agents, surface modification with Cu2+ ions and synthesis of exposed facets to promote the degradation rate is highlighted. In depth study on these nanomaterials is likely to sustain interest in wastewater remediation and envisaged to signify in various green energy applications.

  14. Backside nonconformity and locking restraints affect liner/shell load transfer mechanisms and relative motion in modular acetabular components for total hip replacement.

    Science.gov (United States)

    Kurtz, S M; Ochoa, J A; White, C V; Srivastav, S; Cournoyer, J

    1998-05-01

    Nonconformity between the polyethylene liner and the metal shell may exist in modular acetabular components by design, due to manufacturing tolerances, or from locking mechanisms that attach the polyethylene liner to the metal shell. Relative motion at the liner/shell interface has been associated with backside wear, which may contribute to osteolysis which has been clinically observed near screw holes. The purpose of this study was to investigate the effect of nonconformity and locking restraints on the liner/shell relative motion and load transfer mechanisms in a commercially available, metal-backed acetabular component with a polar fenestration. The finite element method was used to explore the hypothesis that backside nonconformity and locking restraints play important roles in long-term surface damage mechanisms that are unique to modular components, such as backside wear and liner extrusion through screw holes. The three-body quasi-static contact problem was solved using a commercially available explicit finite element code, which modeled contact between the femoral head, polyethylene liner, and the metal shell. Four sets of liner boundary conditions were investigated: no restraints, rim restraints, equatorial restraints, and both rim and equatorial restraints. The finite element model with a conforming shell predicted between 8.5 and 12.8 microm of incremental extrusion of the polyethylene through the polar fenestration, consistent with in vitro experiments of the same design under identical loading conditions. Furthermore, idealized rim and/or equatorial liner restraints were found to share up to 71% of the load across the liner/shell interface. Consequently, the results of this study demonstrate that backside nonconformity and locking restraints substantially influence backside relative motion as well as load transfer at the liner/shell interface.

  15. Ultrafast optical measurements of charge generation and transfer mechanisms of pi-conjugated polymers for solar cell applications

    Science.gov (United States)

    Holt, Joshua Michael

    Current developments in organic solar cells based on donor-acceptor blends require understanding and control of photoinduced charge transfer and electronic state dynamics. In this work the ultrafast dynamics of photoexcitations in pi-conjugated organic semiconductors were studied using a low-intensity, high-repetition rate laser system in the broad mid- to near-infrared (IR) spectral range from 0.25 to 1.1 eV, and a high-intensity, low-repetition rate laser system in the spectral range from 1.2 to 2.5 eV, in the time domain up to 1 ns with 150 fs resolution. We also applied CW photomodulation spectroscopy along with excitation spectrum, modulation frequency sweeps, photoluminescence and electroabsorption to study the excited states of pi-conjugated polymers and acceptor-donor blends. One current drawback to organic solar cell efficiency is negligible absorption in the near infrared spectral range of the solar spectrum. We provide and compare evidence that poly(2-methoxy-5(2'-ethyl)hexoxy-phenylenevinylene) (MEH-PPV) [electron donor] blended with 2,4,7-trinitrofluorenone (TNF) [strong electron acceptor] form a below-gap charge transfer complex (CTC) state that can extend absorption into the near infrared. The transient PA measurements also show that significant charge species are initially photogenerated, a majority of which geminately recombine within 8-10 ps, but the few that escape geminate recombination are subsequently captured in long-lived traps. In addition polarons could be also photogenerated with high efficiency at near-IR excitation, with similar fate. This demonstrates that a CTC state exists below the MEH-PPV polymer optical gap, but with low dissociation efficiency. We compare our results to those in blends of MEH-PPV/C60 where apparently a charge transport pathway to the electrodes is formed and the obtained CTC state has higher dissociation efficiency. The most efficient all-organic photovoltaic (OPV) cells to date (˜6% power conversion efficiency

  16. Theoretical insight into the excited-state intramolecular proton transfer mechanisms of three amino-type hydrogen-bonding molecules

    Science.gov (United States)

    An, Beibei; Yuan, Huijuan; Zhu, Qiuling; Li, Yuanyuan; Guo, Xugeng; Zhang, Jinglai

    2017-03-01

    Excited-state intramolecular proton transfer (ESIPT) dynamics of the amino-type hydrogen-bonding compound 2-(2‧-aminophenyl)benzothiazole (PBT-NH2) as well as its two derivatives 2-(5‧-cyano-2‧-aminophenyl)benzothiazole (CN-PBT-NH2) and 2-(5‧-cyano-2‧-tosylaminophenyl)benzothiazole (CN-PBT-NHTs) were studied by the time-dependent density functional theory (TD-DFT) approach with the B3LYP density functional, and their absorption and emission spectra were also explored at the same level of theory. A good agreement is observed between the theoretical simulations and experimental spectra, indicating that the present calculations are reasonably reliable. In addition, it is also found that the energy barriers of the first excited singlet state of the three targeted molecules along the ESIPT reaction are computed to be 0.38, 0.34 and 0.12 eV, respectively, showing the trend of gradual decrease, which implies that the introduction of the electron-withdrawing cyano or tosyl group can facilitate the occurrence of the ESIPT reaction of these amino-type H-bonding systems. Following the ESIPT, both CN-PBT-NH2 and CN-PBT-NHTs dye molecules can undergo the cis-trans isomerization reactions in the ground-state and excited-state potential energy curves along the C2-C3 bond between benzothiazole and phenyl moieties, where the energy barriers of the trans-tautomer → cis-tautomer isomerizations in the ground states are calculated to be 0.83 and 0.34 eV, respectively. According to our calculations, it is plausible that there may exist the long-lived trans-tautomer species in the ground states of CN-PBT-NH2 and CN-PBT-NHTs.

  17. Fluid mechanics and mass transfer in melt crystal growth: Analysis of the floating zone and vertical Bridgman processes

    Science.gov (United States)

    Brown, R. A.

    1986-01-01

    This research program focuses on analysis of the transport mechanisms in solidification processes, especially one of interest to the Microgravity Sciences and Applications Program of NASA. Research during the last year has focused on analysis of the dynamics of the floating zone process for growth of small-scale crystals, on studies of the effect of applied magnetic fields on convection and solute segregation in directional solidification, and on the dynamics of microscopic cell formation in two-dimensional solidification of binary alloys. Significant findings are given.

  18. An insight into the mechanism of charge transfer properties of hybrid organic (MEH-PPV): Inorganic (TiO2) nanocomposites

    Science.gov (United States)

    Mittal, Tanu; Tiwari, Sangeeta; Mehta, Aarti; Sharma, Shailesh N.

    2016-04-01

    Now a days, inorganic nanoparticles are gaining importance and are potential candidate in different organic electronic device application like (LEDs, PVs) due to their novel properties and confinement in Nano-dimensions. cm 2] In the present work, we have compared the properties of titanium di oxide (TiO2) nanoparticles (NPs) synthesized by using two different chemical routes aqueous and ethanol respectively. These synthesized TiO2 nanoparticles have been characterized by X-ray diffraction spectroscopy (XRD) for phase confirmation. It was observed that synthesized nanoparticles are in anatase phase for both preparation routes. Morphological information was collected by scanning electron microscopy (SEM) which confirms that particles are almost spherical in shape and distributed uniformly which is further ensured by transmission electron microscopy (TEM). Dynamic light scattering (DLS) technique was also used for further confirmation of size distribution of as-synthesized nanoparticles. Optical properties were also investigated by photoluminescence and UV-Vis spectroscopy and calculated bandgap was found to be in the range of 3.3-3.5eV for TiO2 (aq/eth) nanoparticles. The increase in bandgap values with respect to bulk (3.2 eV) confirms that as- synthesized nanoparticles are confined in nanodimensions. As synthesized nanoparticles were interacted with MEHPPV polymer (donor) matrix to make their respective MEHPPV: TiO2 nanocomposites and to confirm the charge transfer mechanism from polymer to nanoparticles. It can be observed from photoluminescence (PL) quenching experiments that continuous quenching obtained for respective nanocomposites confirms better charge transfer from polymer to inorganic TiO2 nanoparticles respectively. Because of, better quenching and simultaneously enhanced charge transfer of respective nanocomposites, ensures that these nanocomposites are greatly applicable for photovoltaics (PVs) especially in Hybrid Solar cells (HSCs).

  19. A simulation tool to study high-frequency chest compression energy transfer mechanisms and waveforms for pulmonary disease applications.

    Science.gov (United States)

    O'Clock, George D; Lee, Yong Wan; Lee, Jongwon; Warwick, Warren J

    2010-07-01

    High-frequency chest compression (HFCC) can be used as a therapeutic intervention to assist in the transport and clearance of mucus and enhance water secretion for cystic fibrosis patients. An HFCC pump-vest and half chest-lung simulation, with 23 lung generations, has been developed using inertance, compliance, viscous friction relationships, and Newton's second law. The simulation has proven to be useful in studying the effects of parameter variations and nonlinear effects on HFCC system performance and pulmonary system response. The simulation also reveals HFCC waveform structure and intensity changes in various segments of the pulmonary system. The HFCC system simulation results agree with measurements, indicating that the HFCC energy transport mechanism involves a mechanically induced pulsation or vibration waveform with average velocities in the lung that are dependent upon small air displacements over large areas associated with the vest-chest interface. In combination with information from lung physiology, autopsies and a variety of other lung modeling efforts, the results of the simulation can reveal a number of therapeutic implications.

  20. (Box-filling-model)-based ONU schedule algorithm and bandwidth-requirement-based ONU transfer mechanism for multi-subsystem-based VPONs' management in metro-access optical network

    Science.gov (United States)

    Zhang, Yuchao; Gan, Chaoqin; Gou, Kaiyu; Hua, Jian

    2017-07-01

    ONU schedule algorithm and ONU transfer mechanism for multi-subsystem-based VPONs' management is proposed in this paper. To avoid frequent wavelength switch and realize high system stability, ONU schedule algorithm is presented for wavelength allocation by introducing box-filling model. At the same time, judgement mechanism is designed to filter wavelength-increased request caused by slight bandwidth fluctuation of VPON. To share remained bandwidth among VPONs, ONU transfer mechanism is put forward according to flexible wavelength routing. To manage wavelength resource of entire network and wavelength requirement from VPONs, information-managed matrix model is constructed. Finally, the effectiveness of the proposed scheme is demonstrated by simulation and analysis.

  1. Convective heat transfer

    CERN Document Server

    Kakac, Sadik; Pramuanjaroenkij, Anchasa

    2014-01-01

    Intended for readers who have taken a basic heat transfer course and have a basic knowledge of thermodynamics, heat transfer, fluid mechanics, and differential equations, Convective Heat Transfer, Third Edition provides an overview of phenomenological convective heat transfer. This book combines applications of engineering with the basic concepts of convection. It offers a clear and balanced presentation of essential topics using both traditional and numerical methods. The text addresses emerging science and technology matters, and highlights biomedical applications and energy technologies. What’s New in the Third Edition: Includes updated chapters and two new chapters on heat transfer in microchannels and heat transfer with nanofluids Expands problem sets and introduces new correlations and solved examples Provides more coverage of numerical/computer methods The third edition details the new research areas of heat transfer in microchannels and the enhancement of convective heat transfer with nanofluids....

  2. Adhesion and anti-adhesion of viscous fluids on solid surfaces--a study of ink transfer mechanism in waterless offset printing.

    Science.gov (United States)

    Shen, Wei; Mao, Yu; Murray, Gerard; Tian, Junfei

    2008-02-15

    The transfer of a liquid under dynamic conditions onto a solid surface relies on wetting/adhesion under transient external forces. We found the phenomena associated with forced wetting and dewetting could not be explained by thermodynamic approaches which are based on surface energy and work of adhesion. This is because these approaches do not take account of the dynamic nature of the forced wetting and dewetting. This study uses ink transfer in waterless offset printing as an example to present a new understanding of adhesion and anti-adhesion of a liquid to a solid surface under dynamic conditions. We focus on the adhesion strength, instead of work of adhesion, at the ink-plate interface and experimentally quantified ink adhesion forces on the image and non-image areas of the printing plate. Based on adhesion force measurements we proposed that the formation of a weak boundary layer and/or the softening the non-image area due to solvent swelling are likely to be the mechanisms that causes ink refusal on the non-image area. AFM images are presented to show changes of the non-image surface before and after contacting with ink.

  3. A Protocol for Using Förster Resonance Energy Transfer (FRET)-force Biosensors to Measure Mechanical Forces across the Nuclear LINC Complex.

    Science.gov (United States)

    Arsenovic, Paul T; Bathula, Kranthidhar; Conway, Daniel E

    2017-04-11

    The LINC complex has been hypothesized to be the critical structure that mediates the transfer of mechanical forces from the cytoskeleton to the nucleus. Nesprin-2G is a key component of the LINC complex that connects the actin cytoskeleton to membrane proteins (SUN domain proteins) in the perinuclear space. These membrane proteins connect to lamins inside the nucleus. Recently, a Förster Resonance Energy Transfer (FRET)-force probe was cloned into mini-Nesprin-2G (Nesprin-TS (tension sensor)) and used to measure tension across Nesprin-2G in live NIH3T3 fibroblasts. This paper describes the process of using Nesprin-TS to measure LINC complex forces in NIH3T3 fibroblasts. To extract FRET information from Nesprin-TS, an outline of how to spectrally unmix raw spectral images into acceptor and donor fluorescent channels is also presented. Using open-source software (ImageJ), images are pre-processed and transformed into ratiometric images. Finally, FRET data of Nesprin-TS is presented, along with strategies for how to compare data across different experimental groups.

  4. Mechanism of Action of Sulforaphane as a Superoxide Radical Anion and Hydrogen Peroxide Scavenger by Double Hydrogen Transfer: A Model for Iron Superoxide Dismutase.

    Science.gov (United States)

    Prasad, Ajit Kumar; Mishra, P C

    2015-06-25

    The mechanism of action of sulforaphane as a scavenger of superoxide radical anion (O2(•-)) and hydrogen peroxide (H2O2) was investigated using density functional theory (DFT) in both gas phase and aqueous media. Iron superoxide dismutase (Fe-SOD) involved in scavenging superoxide radical anion from biological media was modeled by a complex consisting of the ferric ion (Fe(3+)) attached to three histidine rings. Reactions related to scavenging of superoxide radical anion by sulforaphane were studied using DFT in the presence and absence of Fe-SOD represented by this model in both gas phase and aqueous media. The scavenging action of sulforaphane toward both superoxide radical anion and hydrogen peroxide was found to involve the unusual mechanism of double hydrogen transfer. It was found that sulforaphane alone, without Fe-SOD, cannot scavenge superoxide radical anion in gas phase or aqueous media efficiently as the corresponding reaction barriers are very high. However, in the presence of Fe-SOD represented by the above-mentioned model, the scavenging reactions become barrierless, and so sulforaphane scavenges superoxide radical anion by converting it to hydrogen peroxide efficiently. Further, sulforaphane was found to scavenge hydrogen peroxide also very efficiently by converting it into water. Thus, the mechanism of action of sulforaphane as an excellent antioxidant has been unravelled.

  5. Mechanism of phosphoryl transfer and protein-protein interaction in the PTS system-an NMR study

    Energy Technology Data Exchange (ETDEWEB)

    Rajagopal, P.; Klevit, R.E. [Univ. of Washington, Seattle, WA (United States)

    1994-12-01

    HPr and Enzyme IIA{sup Glc} are two of the components of the bacterial PTS (phosphoenolpyruvate: sugar phosphotranferase system) and are involved in the phosphorylation and concomitant translocation of sugars across the membrane. These PTS protein complexes also regulate sugar transport. HPr, phosphorylated at a histidine N1 site by Enzyme I and phosphoenol pyruvate, transfers the phosphoryl group to a histidine N3 position in Enzyme IIA{sup Glc}. HPrs from Gram-positive bacteria undergo regulatory phosphorylation at Ser{sup 46}, whereby phosphorylation of the histidine residue is inhibited. Conversely, histidine phosphorylation inhibits phosphorylation at Ser{sup 46}. HPrs from Gram-negative bacteria possess a serine residue at position 46, but do not undergo regulatory phosphorylation. HPr forms an open-faced sandwich structure with a four-strand S-sheet and 2 to 3 helices lying on top of the sheet. The active-site histidine and Ser{sup 46} occur in conformationally flexible regions. P-His-HPr from the Gram-positive bacterium Bacillus subtilus has been investigated by both homonuclear and heteronuclear two-dimensional and three-dimensional NMR experiments using an in-situ enzymatic regeneration system to maintain a constant level of P-His-HPr. The results show that localized conformational changes occur in the vicinity of the active-site histidine and also near Ser{sup 46}. HPr-Enzyme IIA{sup Glc} complexes from both Bacillus subtilis and Gram-negative Escherichia coli were also studied by a variety of {sup 15}N-edited two-dimensional NMR experiments, which were performed on uniformly {sup 15}N-labeled HPr complexed to unlabeled Enzyme IIA{sup Glc}. The complex is in fast exchange with a molecular weight of about 27 kDa. The focus of our work is to assess the changes undergone by HPr (the smaller of the two components), and so all the experiments were performed with excess Enzyme IIA present in the system.

  6. Cyanide anion sensing mechanism of 1,3,5,7-tetratolyl aza-BODIPY: Intramolecular charge transfer and partial configuration change

    Science.gov (United States)

    Bhat, Haamid R.; Jha, Prakash C.

    2017-02-01

    The cyanide anion sensing mechanism of 1,3,5,7-tetratolyl aza-BODIPY (1) has been rigorously investigated using density functional theory and time dependent-density functional theory methods. Mulliken charge distribution and Natural Bond Orbital analysis reveals that cyanide addition may occur at both electrophilic centers with equal probability. The molecular orbital analysis reveals that first excited state (S1) of 1 is a local excited state with π-π∗ transition, whereas for 2 (the cyano form of 1), S1 , a charge-separation state, is found to be responsible for the intramolecular charge transfer (ICT) process which in conjunction with partial configuration change induces fluorescence stimulation in 2.

  7. The Mechanism of Phosphoryl Transfer Reaction and the Role of Active Site Residues on the Basis of Ribokinase-Like Kinases

    Directory of Open Access Journals (Sweden)

    Edyta Dyguda

    2004-04-01

    Full Text Available The role of ribokinase-like carbohydrate kinases consists in ATP dependent phosphorylation of small molecules containing hydroxymethyl group. Although they differ substantially in structural terms and exhibit a broad substrate specificity, some family-wide conserved features can be distinguished suggesting the common mode of action. 4-methyl-5-β-hydroxyethylthiazole kinase (Thz kinase was chosen as a representative model and the mechanism proposed in X-ray crystal structure paper provided the basis for calculations. In particular, the possible role of several active site residues (Arg121 and Cys198 among others and of the two magnesium ions was examined. Static and dynamic catalytic fields for the reaction were generated revealing the most favourable environment for the preferential transition state stabilization. An attempt to model the phosphoryl transfer reaction as well as to investigate the influence of the cysteine residue on the reaction course at the semiempirical PM3 level of theory was undertaken.

  8. Time-resolved kinetic study of the electron-transfer reactions between ring-substituted cumyloxyl radicals and alkylferrocenes. Evidence for an inner-sphere mechanism.

    Science.gov (United States)

    Bietti, Massimo; DiLabio, Gino A; Lanzalunga, Osvaldo; Salamone, Michela

    2011-03-18

    A time-resolved kinetic study of the reactions of ring-substituted cumyloxyl radicals (4-X-CumO(•): X = OMe, t-Bu, Me, Cl, CF(3)) with methylferrocenes (Me(n)Fc: n = 2, 8, 10) has been carried out in acetonitrile solution. Evidence for an electron transfer (ET) process has been obtained for all radicals and an increase in reactivity has been observed on decreasing the oxidation potential of the ferrocene donor and on going from electron-releasing to electron-withdrawing ring substituents. Computations predict the formation of strongly bound π-stacked 4-X-CumO(•)/DcMFc complexes, characterized by intracomplex π-π distances around 4 Å. These findings point toward a (nonbonded) inner-sphere ET mechanism for the reactions of the 4-X-CumO(•)/Me(n)Fc couples.

  9. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    CERN Document Server

    Fujihashi, Yuta; Ishizaki, Akihito

    2015-01-01

    Recently, nuclear vibrational contribution signatures in 2D electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the e...

  10. 利用机械阻抗求取机械系统传递函数的方法%A simple method of solving transfer function of mechanical system by mechanical impedance

    Institute of Scientific and Technical Information of China (English)

    王泽南

    2001-01-01

    A simple method of so lving transfer function of mechanical system by mechanical impedance is proposed ,which is similar to the method of complex impedance in electrical system. Three basic elements of mechanical system are fixed into complex domain elements as t he spring, and the calculus of differential equations is reduced. Differing from electrical system, the structural diagrams of mechanical system need the chang e of series combinations of mass elements into parallel combinations, which is v ery simple.%文章提出了一种利用机械阻抗求取机械系统传递 函数的简便方法,它类似于电系统中的复阻抗方法。这种方法将机械系统3种基本元件固化 为类似弹簧的复域元件,使求取系统传递函数免去列写微分方程的环节。与电系统稍有不同 的是,这种方法需将机械系统结构图作适当的改形。改形也很简单,只要将串联形式的质量 元件改为并联即可。

  11. Mechanics

    CERN Document Server

    Hartog, J P Den

    1961-01-01

    First published over 40 years ago, this work has achieved the status of a classic among introductory texts on mechanics. Den Hartog is known for his lively, discursive and often witty presentations of all the fundamental material of both statics and dynamics (and considerable more advanced material) in new, original ways that provide students with insights into mechanical relationships that other books do not always succeed in conveying. On the other hand, the work is so replete with engineering applications and actual design problems that it is as valuable as a reference to the practicing e

  12. Heat transfer

    CERN Document Server

    Jorge, Kubie; Thomas, Grassie

    2012-01-01

    A core task of engineers is to analyse energy related problems. The analytical treatment is usually based on principles of thermodynamics, fluid mechanics and heat transfer, but is increasingly being handled computationally.This unique resource presents a practical textbook, written for both undergraduates and professionals, with a series of over 60 computer workbooks on an accompanying CD.The book emphasizes how complex problems can be deconstructed into a series of simple steps. All thermophysical property computations are illustrated using diagrams within text and on the compani

  13. 电场强化对流传热的热力学机理%Thermodynamic Mechanism of Convective Heat Transfer Enhanced by Electric Field

    Institute of Scientific and Technical Information of China (English)

    韩光泽; 陈佳佳

    2013-01-01

    Transfer processes can be effectively enhanced by external fields,and the heat transfer process enhanced by electric field is a research hotspot in nowadays.In order to reveal the thermodynamic mechanism of convective heat transfer enhanced by electric field,fundamental thermodynamic equations including the influence of electric field are put forward based on the energy postulate,enthalpy and Gibbs function are redefined with the effect of electric field,and the expressions of the partial derivatives of enthalpy and temperature with respect to electric fields are derived.The results indicate that,for most liquids in a valid temperature range,the enthalpy decreases in isothermal process and the temperature increases in adiabatic process with the increase of external electric field. When an external electric field is applied on the heat release stage,the decreased enthalpy of the liquid medium means that more heat can be released,while the increased temperature of it means that the heat release to lower reservoir tends to be more effective.Thus,it is concluded that the electric field effectively enhances the convective heat transfer.Based on the proposed thermodynamic mechanism,a principle diagram is finally presented to de-scribe the convective heat transfer enhanced by electric field.%外场作用能够有效地强化传递过程,电场强化传热便是其中的一个研究热点。为揭示电场强化对流传热过程的热力学机理,文中利用能量公理建立了电场作用下的基本热力学关系,定义了电场作用下的焓和吉布斯函数,导出了等温条件下焓随电场的变化以及绝热条件下温度随电场的变化关系。结果表明:对于常用的液体物质,在有效的工作温度范围内,焓在等温过程中随电场增加而减小,温度在绝热过程中随电场增加而上升;如果在系统放热过程中施加电场作用,焓减小意味着系统能够放出更多的热量,温度上升意味

  14. Adenoviral-mediated placental gene transfer of IGF-1 corrects placental insufficiency via enhanced placental glucose transport mechanisms.

    Directory of Open Access Journals (Sweden)

    Helen N Jones

    Full Text Available Previous work in our laboratory demonstrated that over-expression of human insulin-like growth factor -1 (hIGF-1 in the placenta corrects fetal weight deficits in mouse, rat, and rabbit models of intrauterine growth restriction without changes in placental weight. The underlying mechanisms of this effect have not been elucidated. To investigate the effect of intra-placental IGF-1 over-expression on placental function we examined glucose transporter expression and localization in both a mouse model of IUGR and a model of human trophoblast, the BeWo Choriocarcinoma cell line.At gestational day 18, animals were divided into four groups; sham-operated controls, uterine artery branch ligation (UABL, UABL+Ad-hIGF-1 (10(8 PFU, UABL+Ad-LacZ (10(8 PFU. At gestational day 20, pups and placentas were harvested by C-section. For human studies, BeWo choriocarcinoma cells were grown in F12 complete medium +10%FBS. Cells were incubated in serum-free control media ± Ad-IGF-1 or Ad-LacZ for 48 hours. MOIs of 10∶1 and 100∶1 were utilized. The RNA, protein expression and localization of glucose transporters GLUT1, 3, 8, and 9 were analyzed by RT-PCR, Western blot and immunohistochemistry.In both the mouse placenta and BeWo, GLUT1 regulation was linked to altered protein localization. GLUT3, localized to the mouse fetal endothelial cells, was reduced in placental insufficiency but maintained with Ad-I GF-1 treatment. Interestingly, GLUT8 expression was reduced in the UABL placenta but up-regulated following Ad-IGF-1 in both mouse and human systems. GLUT9 expression in the mouse was increased by Ad-IGF-1 but this was not reflected in the BeWo, where Ad-IGF-1 caused moderate membrane relocalization.Enhanced GLUT isoform transporter expression and relocalization to the membrane may be an important mechanism in Ad-hIGF-1mediated correction of placental insufficiency.

  15. Heat Transfer Analysis of Two Kinds of Mechanically Jointed GBST1308/CuCrZr Plasma Facing Components of EAST

    Institute of Scientific and Technical Information of China (English)

    CHONG Fali; CHEN Junling; LI Jiangang; ZHENG Xuebin; EAST team

    2008-01-01

    Doped graphite GBST1308,mechanically jointed to CuCrZr alloys,will be applied on EAST superconducting as plasma facing material (PFM).Two joint structures called joint-1 and joint-2 were evaluated by means of thermal response tests using electron beam facility.The experimental results showed that the temperature differences of two joints were not significant,and the maximum surface temperature was about 1055℃ at a load of 4 MW/m2,which had a good agreement with the simulated results by ANSYS code.The results indicated that the doped graphite GBST1308/CuCrZr mock-up can withstand heat flux deposition of 4 MW/m2 except at the screw-fastened region,and joint-2 could be more suitable to higher heat flux region such as divertor target.But under the higher heat flux,both joints are unacceptable,an advanced PFM and its integration with the heat sink have to be developed,for example,vacuum plasma spraying tungsten coatings on the CuCrZr might be a good choice.

  16. Flavin redox bifurcation as a mechanism for controlling the direction of electron flow during extracellular electron transfer.

    Science.gov (United States)

    Okamoto, Akihiro; Hashimoto, Kazuhito; Nealson, Kenneth H

    2014-10-06

    The iron-reducing bacterium Shewanella oneidensis MR-1 has a dual directional electronic conduit involving 40 heme redox centers in flavin-binding outer-membrane c-type cytochromes (OM c-Cyts). While the mechanism for electron export from the OM c-Cyts to an anode is well understood, how the redox centers in OM c-Cyts take electrons from a cathode has not been elucidated at the molecular level. Electrochemical analysis of live cells during switching from anodic to cathodic conditions showed that altering the direction of electron flow does not require gene expression or protein synthesis, but simply redox potential shift about 300 mV for a flavin cofactor interacting with the OM c-Cyts. That is, the redox bifurcation of the riboflavin cofactor in OM c-Cyts switches the direction of electron conduction in the biological conduit at the cell-electrode interface to drive bacterial metabolism as either anode or cathode catalysts. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Measurement of mass transfer coefficients in a mechanically agitated, nondispersing contactor operating with a molten mixture of LiF--BeF/sub 2/--ThF/sub 4/ and molten bismuth

    Energy Technology Data Exchange (ETDEWEB)

    Brown, C.H. Jr.; Hightower, J.R. Jr.; Klein, J.A.

    1976-11-01

    A mechanically agitated, nondispersing contactor in which molten fluoride salt and molten bismuth phases were contacted has been built and operated. The mass transfer performance of the contactor was evaluated over a range of agitator speeds under conditions in which the major resistance to mass transfer was in the salt phase. The measured mass transfer rates were compared with rates predicted by literature correlations. The equipment necessary to contain the salt and bismuth at approximately 600/sup 0/C is described along with the complete set of experimental data obtained during operation. 11 figures, 12 tables.

  18. System-Level Heat Transfer Analysis, Thermal- Mechanical Cyclic Stress Analysis, and Environmental Fatigue Modeling of a Two-Loop Pressurized Water Reactor. A Preliminary Study

    Energy Technology Data Exchange (ETDEWEB)

    Mohanty, Subhasish [Argonne National Lab. (ANL), Argonne, IL (United States); Soppet, William [Argonne National Lab. (ANL), Argonne, IL (United States); Majumdar, Saurin [Argonne National Lab. (ANL), Argonne, IL (United States); Natesan, Ken [Argonne National Lab. (ANL), Argonne, IL (United States)

    2015-01-03

    This report provides an update on an assessment of environmentally assisted fatigue for light water reactor components under extended service conditions. This report is a deliverable in April 2015 under the work package for environmentally assisted fatigue under DOE's Light Water Reactor Sustainability program. In this report, updates are discussed related to a system level preliminary finite element model of a two-loop pressurized water reactor (PWR). Based on this model, system-level heat transfer analysis and subsequent thermal-mechanical stress analysis were performed for typical design-basis thermal-mechanical fatigue cycles. The in-air fatigue lives of components, such as the hot and cold legs, were estimated on the basis of stress analysis results, ASME in-air fatigue life estimation criteria, and fatigue design curves. Furthermore, environmental correction factors and associated PWR environment fatigue lives for the hot and cold legs were estimated by using estimated stress and strain histories and the approach described in NUREG-6909. The discussed models and results are very preliminary. Further advancement of the discussed model is required for more accurate life prediction of reactor components. This report only presents the work related to finite element modelling activities. However, in between multiple tensile and fatigue tests were conducted. The related experimental results will be presented in the year-end report.

  19. Practice-related optimization and transfer of executive functions: a general review and a specific realization of their mechanisms in dual tasks.

    Science.gov (United States)

    Strobach, Tilo; Salminen, Tiina; Karbach, Julia; Schubert, Torsten

    2014-11-01

    Improvements in performing demanding and complex task situations are typically related to the optimization of executive functions and efficient behavioral control. The present study systematizes and reviews the optimization of different executive function types: Shifting, Inhibition, Updating, and Dual tasking. In particular, we focus on optimisations of these functions with training and on transfer effects of related training skills to non-trained situations. The aim of the study's empirical part (see also Appendix) was to investigate the specific mechanisms of executive functions in the context of Dual tasking, leading to improved dual-task performance after practice. More specifically, we tested the Efficient Task Instantiation (ETI) model that includes specific assumptions regarding practice-related improvements of executive task coordination skills: Dual-task performance is improved with practice because of an efficient and conjoint instantiation of sets of relevant task information in working memory at the onset of a dual task. According to our knowledge, the ETI model is one of the first that allows illustrating the contribution of cognitive mechanisms underlying practice-related improvements in performing dual tasks and the impact of task coordination skills on this performance.

  20. Exploring the molecular mechanism of cross-resistance to HIV-1 integrase strand transfer inhibitors by molecular dynamics simulation and residue interaction network analysis.

    Science.gov (United States)

    Xue, Weiwei; Jin, Xiaojie; Ning, Lulu; Wang, Meixia; Liu, Huanxiang; Yao, Xiaojun

    2013-01-28

    The rapid emergence of cross-resistance to the integrase strand transfer inhibitors (INSTIs) has become a serious problem in the therapy of human immunodeficiency virus type 1 (HIV-1) infection. Understanding the detailed molecular mechanism of INSTIs cross-resistance is therefore critical for the development of new effective therapy against cross-resistance. On the basis of the homology modeling constructed structure of tetrameric HIV-1 intasome, the detailed molecular mechanism of the cross-resistance mutation E138K/Q148K to three important INSTIs (Raltegravir (RAL, FDA approved in 2007), Elvitegravir (EVG, FDA approved in 2012), and Dolutegravir (DTG, phase III clinical trials)) was investigated by using molecular dynamics (MD) simulation and residue interaction network (RIN) analysis. The results from conformation analysis and binding free energy calculation can provide some useful information about the detailed binding mode and cross-resistance mechanism for the three INSTIs to HIV-1 intasome. Binding free energy decomposition analysis revealed that Pro145 residue in the 140s 1oop (Gly140 to Gly149) of the HIV-1 intasome had strong hydrophobic interactions with INSTIs and played an important role in the binding of INSTIs to HIV-1 intasome active site. A systematic comparison and analysis of the RIN proves that the communications between the residues in the resistance mutant is increased when compared with that of the wild-type HIV-1 intasome. Further analysis indicates that residue Pro145 may play an important role and is relevant to the structure rearrangement in HIV-1 intasome active site. In addition, the chelating ability of the oxygen atoms in INSTIs (e.g., RAL and EVG) to Mg(2+) in the active site of the mutated intasome was reduced due to this conformational change and is also responsible for the cross-resistance mechanism. Notably, the cross-resistance mechanism we proposed could give some important information for the future rational design of novel

  1. 中国跨国公司逆向知识转移组织机制的实证研究%Empirical study on the organization mechanism of reverse knowledge transfers in mncs of china

    Institute of Scientific and Technical Information of China (English)

    刘明霞; 于飞

    2013-01-01

    Base on knowledge management theory and the sample of MNCs of China,this paper studies the effect of organization mechanism on reverse knowledge transfers from subsidiaries to MNC parents in China by survey and interviews.It is found that cooperation mechanism,communication mechanism and control mechanism affect positively reverse knowledge transfer.But the effect of knowledge management mechanism on reverse knowledge transfer is not significant.This study goes beyond the traditional focus on knowledge characteristics in the past research of knowledge transfer about MNCs,and pay more attention to organization design and mechanism in MNCs' knowledge transfer.This paper enriches the perspectives for research on knowledge transfer in MNCs.%运用知识管理相关理论,以中国跨国公司为研究对象,通过问卷调查和企业访谈,探析了组织机制对中国跨国公司逆向知识转移的影响.研究发现合作式运作结构、沟通机制、控制机制(层级命令、子公司自主权)对逆向知识转移有显著的促进作用,而知识管理机制对逆向知识转移的作用与预期相反且不显著.本文突破了以往跨国公司知识转移研究中只关注知识特性的局限,侧重于知识转移的组织设计和组织机制,丰富了跨国公司知识转移领域的研究视角.

  2. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    Energy Technology Data Exchange (ETDEWEB)

    Fujihashi, Yuta; Ishizaki, Akihito, E-mail: ishizaki@ims.ac.jp [Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki 444-8585 (Japan); Fleming, Graham R. [Department of Chemistry, University of California, Berkeley and Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-06-07

    Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.

  3. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra.

    Science.gov (United States)

    Fujihashi, Yuta; Fleming, Graham R; Ishizaki, Akihito

    2015-06-07

    Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.

  4. Mechanisms of Cell Killing Response from Low Linear Energy Transfer (LET Radiation Originating from 177Lu Radioimmunotherapy Targeting Disseminated Intraperitoneal Tumor Xenografts

    Directory of Open Access Journals (Sweden)

    Kwon Joong Yong

    2016-05-01

    Full Text Available Radiolabeled antibodies (mAbs provide efficient tools for cancer therapy. The combination of low energy β−-emissions (500 keVmax; 130 keVave along with a γ-emission for imaging makes 177Lu (T1/2 = 6.7 day a suitable radionuclide for radioimmunotherapy (RIT of tumor burdens possibly too large to treat with α-particle radiation. RIT with 177Lu-trastuzumab has proven to be effective for treatment of disseminated HER2 positive peritoneal disease in a pre-clinical model. To elucidate mechanisms originating from this RIT therapy at the molecular level, tumor bearing mice (LS-174T intraperitoneal xenografts were treated with 177Lu-trastuzumab comparatively to animals treated with a non-specific control, 177Lu-HuIgG, and then to prior published results obtained using 212Pb-trastuzumab, an α-particle RIT agent. 177Lu-trastuzumab induced cell death via DNA double strand breaks (DSB, caspase-3 apoptosis, and interfered with DNA-PK expression, which is associated with the repair of DNA non-homologous end joining damage. This contrasts to prior results, wherein 212Pb-trastuzumab was found to down-regulate RAD51, which is involved with homologous recombination DNA damage repair. 177Lu-trastuzumab therapy was associated with significant chromosomal disruption and up-regulation of genes in the apoptotic process. These results suggest an inhibition of the repair mechanism specific to the type of radiation damage being inflicted by either high or low linear energy transfer radiation. Understanding the mechanisms of action of β−- and α-particle RIT comparatively through an in vivo tumor environment offers real information suitable to enhance combination therapy regimens involving α- and β−-particle RIT for the management of intraperitoneal disease.

  5. Investigation of the Mechanism of Electron Capture and Electron Transfer Dissociation of Peptides with a Covalently Attached Free Radical Hydrogen Atom Scavenger.

    Science.gov (United States)

    Sohn, Chang Ho; Yin, Sheng; Peng, Ivory; Loo, Joseph A; Beauchamp, J L

    2015-11-15

    The mechanisms of electron capture and electron transfer dissociation (ECD and ETD) are investigated by covalently attaching a free-radical hydrogen atom scavenger to a peptide. The 2,2,6,6-tetramethylpiperidin-l-oxyl (TEMPO) radical was chosen as the scavenger due to its high hydrogen atom affinity (ca. 280 kJ/mol) and low electron affinity (ca. 0.45 ev), and was derivatized to the model peptide, FQX(TEMPO)EEQQQTEDELQDK. The X(TEMPO) residue represents a cysteinyl residue derivatized with an acetamido-TEMPO group. The acetamide group without TEMPO was also examined as a control. The gas phase proton affinity (882 kJ/mol) of TEMPO is similar to backbone amide carbonyls (889 kJ/mol), minimizing perturbation to internal solvation and sites of protonation of the derivatized peptides. Collision induced dissociation (CID) of the TEMPO tagged peptide dication generated stable odd-electron b and y type ions without indication of any TEMPO radical induced fragmentation initiated by hydrogen abstraction. The type and abundance of fragment ions observed in the CID spectra of the TEMPO and acetamide tagged peptides are very similar. However, ECD of the TEMPO labeled peptide dication yielded no backbone cleavage. We propose that a labile hydrogen atom in the charge reduced radical ions is scavenged by the TEMPO radical moiety, resulting in inhibition of N-Cα backbone cleavage processes. Supplemental activation after electron attachment (ETcaD) and CID of the charge-reduced precursor ion generated by electron transfer of the TEMPO tagged peptide dication produced a series of b + H (b(H)) and y + H (y(H)) ions along with some c ions having suppressed intensities, consistent with stable O-H bond formation at the TEMPO group. In summary, the results indicate that ECD and ETD backbone cleavage processes are inhibited by scavenging of a labile hydrogen atom by the localized TEMPO radical moiety. This observation supports the conjecture that ECD and ETD processes involve long

  6. Research on transferring mechanism of pharmaceutically active compounds in urban sewage%PhACs在城市污水中迁移机理的研究

    Institute of Scientific and Technical Information of China (English)

    周海东; 王奉飞; 李涵

    2011-01-01

    以4种药理活性化合物(PhACs)为目标物,运用UPLC/MS为检测方法,针对其在城市污水处理厂工艺流程中的分布迁移进行了研究,并进一步实验研究了其迁移机理.所有PhACs在城市污水厂进出水中均被检出,进水中浓度为0.11μg/L(氯贝酸)-0.46μg/L(卡马西平),出水中50μg/L((氯贝酸)-0.45μg/L(卡马西平).卡马西平几乎不能被去除,除此之外,在生物处理阶段可较有效去除其它PhACs,其迁移机理主要是生物降解,生物降解速率与化合物种类及污泥类型有关.%Distribution and transportation of four pharmaceutically active compounds (PhACs) detected by upper performance liquid chromatography -mass spectrometry (UPLC/MS) was investigated in every unit of sewage treatment plants (STPs). Meanwhile, the mechanisms of transference of PhACs in the sewage were further experimented. All the target compounds were present in the influent and effluent sewages. The concentrations ranged from 0. 11 μg/L (clofibric acid) -0.46 μg/L (carbamazepine) in the influent sewages, and from 50 μg/L (clofibric acid) -0.45 μg/L (carbamazepine) in the effluent sewages. Except carbamazepine could be hardly removed in STPs, biological treatment stage seemed to be more effective to remove other PhACs from aqueous phase than primary treatment stage in STPs. The mechanism for their transference in the sewage was basically biodegradation, the rate of which was rerated to activated sludge type as well as compound property.

  7. The nature of tryptophan radicals involved in the long-range electron transfer of lignin peroxidase and lignin peroxidase-like systems: Insights from quantum mechanical/molecular mechanics simulations.

    Science.gov (United States)

    Bernini, Caterina; Pogni, Rebecca; Basosi, Riccardo; Sinicropi, Adalgisa

    2012-05-01

    A catalytically active tryptophan radical has been demonstrated to be involved in the long-range electron transfer to the heme cofactor of lignin peroxidase (LiP) from Phanerochaete chrysosporium although no direct detection by EPR spectroscopy of the tryptophan radical intermediate has been reported to date. An engineering-based approach has been used to manipulate the microenvironment of the redox-active tryptophan site in LiP and Coprinus cinereus Peroxidase (CiP), allowing the direct evidence of the tryptophan radical species. In light of the newly available EPR experimental data, we performed a quantum mechanical/molecular mechanics computational study to characterize the tryptophan radicals in the above protein matrices as well as in pristine LiP. The nature of the tryptophan radicals is discussed together with the analysis of their environment with the aim of understanding the different behavior of pristine LiP in comparison with that of LiP and CiP variants.

  8. Mechanics

    CERN Document Server

    Chester, W

    1979-01-01

    When I began to write this book, I originally had in mind the needs of university students in their first year. May aim was to keep the mathematics simple. No advanced techniques are used and there are no complicated applications. The emphasis is on an understanding of the basic ideas and problems which require expertise but do not contribute to this understanding are not discussed. How­ ever, the presentation is more sophisticated than might be considered appropri­ ate for someone with no previous knowledge of the subject so that, although it is developed from the beginning, some previous acquaintance with the elements of the subject would be an advantage. In addition, some familiarity with element­ ary calculus is assumed but not with the elementary theory of differential equations, although knowledge of the latter would again be an advantage. It is my opinion that mechanics is best introduced through the motion of a particle, with rigid body problems left until the subject is more fully developed. Howev...

  9. Research on the Mechanism and Strategy of Knowledge Transfer in Project Environment%项目环境下知识转移机理与策略研究

    Institute of Scientific and Technical Information of China (English)

    程敏; 余艳

    2011-01-01

    The complex mechanism of knowledge transfer is analyzed from different angles. The model of knowledge transfer based on project circumstances is built. In order to develop the method to improve the project management level and promote knowledge transfer, concrete measures are put forward from the perspectives of technology, culture, mechanism and system.%从多维角度分析项目环境下知识转移的复杂机理,建立项目环境下知识转移模型,并从技术层面、文化层面、机制与制度层面、组织层面提出项目环境下知识转移的策略,以探寻促进项目环境下知识转移的途径和提高项目管理水平的方法.

  10. Charge-transfer interaction of drug quinidine with quinol, picric acid and DDQ:Spectroscopic characterization and biological activity studies towards understanding the drug-receptor mechanism

    Institute of Scientific and Technical Information of China (English)

    Hala H. Eldaroti; Suad A. Gadir; Moamen S. Refat; Abdel Majid A. Adam

    2014-01-01

    Investigation of charge-transfer (CT) complexes of drugs has been recognized as an important phenomenon in understanding of the drug-receptor binding mechanism. Structural, thermal, morpholo-gical and biological behavior of CT complexes formed between drug quinidine (Qui) as a donor and quinol (QL), picric acid (PA) or dichlorodicyanobenzoquinone (DDQ) as acceptors were reported. The newly synthesized CT complexes have been spectroscopically characterized via elemental analysis;infrared (IR), Raman, 1H NMR and electronic absorption spectroscopy; powder X-ray diffraction (PXRD);thermogravimetric (TG) analysis and scanning electron microscopy (SEM). It was found that the obtained complexes are nanoscale, semi-crystalline particles, thermally stable and spontaneous. The molecular composition of the obtained complexes was determined using spectrophotometric titration method and was found to be 1:1 ratios (donor:acceptor). Finally, the biological activities of the obtained CT complexes were tested for their antibacterial activities. The results obtained herein are satisfactory for estimation of drug Qui in the pharmaceutical form.

  11. Changes in physical and chemical characteristics of fermented cocoa (Theobroma cacao beans with manual and semi-mechanized transfer, between fermentation boxes

    Directory of Open Access Journals (Sweden)

    Pedro. P. Peláez

    2016-06-01

    Full Text Available The aim of this study was to evaluate variation in the physical and chemical properties of fermented cocoa beans with cocoa beans transfer between wooden fermentation boxes manually (M and semi-mechanized (SM way. Mass temperature, moisture, pH, and total acidity of the cotyledon and pulp; the total polyphenol, anthocyanin, reducing sugar, theobromine, and caffeine content in fresh, fermented, and dried beans; and percentage of fermented beans and time required to move beans during fermentation were determined. The cocoa used grew in the Pachiza district of the San Martin region of Peru. Cocoa sampling was each 0, 48, 72, 96, 120, 144, and 168 h of fermentation. The cocoa mass temperature was highest with both removal systems after 96 h of fermentation. M cotyledon and pulp samples had the highest moisture content and titratable acidity, while cotyledon and pulp pH with both systems were statistically equal. In contrast, fermented beans had a higher polyphenol, anthocyanin, reducing sugar, theobromine, and caffeine content with SM. SM produced the greatest amount of fermentation (91.67% and required the shortest amount of time to move beans (78.56 min. In conclusion, the system of fermentation of cocoa beans with SM was faster and produced fermented grains with high chemical quality.

  12. Changes in physical and chemical characteristics of fermented cocoa(Theobroma cacaobeans with manual and semi-mechanized transfer, between fermentation boxes

    Directory of Open Access Journals (Sweden)

    Pedro. P. Peláez

    2016-01-01

    Full Text Available The aim of this study was to evaluate variation in the physical and chemical properties of fermented cocoa beans with cocoa beans transfer between wooden fermentation boxes manually (M and semi - mechanized (SM way. Mass temperature, moisture, pH, and total acidity of the cotyledon and pulp; the total polyphenol, anthocyanin, reducing sugar, theobromine, and caffeine content in fresh, fermented, and dried beans; and percentage of fermented beans and time required to move beans during fermentation were determined. The cocoa used grew in the Pachiza district of the San Martin region of Peru. Cocoa sampling w as each 0, 48, 72, 96, 120, 144, and 168 h of fermentation. The cocoa mass temperature was highest with both removal systems after 96 h of fermentation. M cotyledon and pulp samples had the highest moisture content and titratable acidity, while cotyledon a nd pulp pH with both systems were statistically equal. In contrast, fermented beans had a higher polyphenol, anthocyanin, reducing sugar, theobromine, and caffeine content with SM. SM produced the greatest amount of fermentation (91.67% and required the s hortest amount of time to move beans (78.56 min. In conclusion, the system of fermentation of cocoa beans with SM was faster and produced fermented grains with high chemical quality.

  13. 2-D numerical modeling and experimental investigation of electrochemical mechanisms coupled with heat and mass transfer in a planar direct carbon fuel cell

    Science.gov (United States)

    Elleuch, Amal; Sahraoui, Melik; Boussetta, Ahlem; Halouani, Kamel; Li, Yongdan

    2014-02-01

    A two-dimensional modeling of a lab-scale planar Direct Carbon Fuel Cell (DCFC) of 20 mm in diameter is developed by taking into account of the electrochemical mechanisms and mass and heat transfer phenomena in all regions of the cell simultaneously. The electrodes and the electrolyte of the DCFC are both considered as distinct regions with different local properties such as permeability, conductivity and diffusivity. An improved packed bed anodic structure with a finite thickness is also adopted. General boundary conditions are implemented by taking into consideration the species concentrations at the DCFC inlet such as oxygen concentration which is a very important parameter to determine the cell efficiency. The effects of the main operating parameters such as temperature, inlet gas flow velocity and porosity of the electrolyte matrix on the DCFC efficiency are investigated. A sensitivity analysis based on numerical simulations of the effects of cathode kinetic parameters and the anode specific surface area is also performed. Good agreement is obtained between numerical results and experimental data with an absolute average deviation of about 9%.

  14. Theoretical studies on the influence of molecular interactions on the mechanism of electron transfer in photosynthetic reaction center of Rps. viridis

    Institute of Scientific and Technical Information of China (English)

    徐红; 张汝波; 屈正旺; 张兴康; 张启元

    2002-01-01

    Based on the QM/MM optimized X-ray crystal structure of the photosynthetic reaction center (PRC) of purple bacteria Rhodopseudomonas (Rps.) viridis, quantum chemistry density functional method (DFT, B3LYP/6-31G) has been performed to study the interactions between the pigment molecules and either the surrounded amino acid residues or water molecules that are either axially coordinated or hydrogen bonded with the pigment molecules, leading to an explanation of the mechanism of the primary electron-transfer (ET) reactions in the PRC. Results show that the axial coordination of amino acid residues greatly raises the ELUMO of pigment molecules and it is important for the possibility of ET to take place. Different hydrogen bonds between amino acid residues, water molecules and pigment molecules decrease the ELUMO of the pigment molecules to different extents. It is crucial for the ET taking place from excited P along L branch and sustains that the ET is a one-step reaction without through accessory bacteriochlorophyll (ABChl b). It is insufficient to treat the whole protein surrounding as a homogeneous dielectric medium.

  15. Influence of Plasma Transferred Arc Process Parameters on Structure and Mechanical Properties of Wear Resistive NiCrBSi-WC/Co Coatings

    Directory of Open Access Journals (Sweden)

    Eitvydas GRUZDYS

    2011-07-01

    Full Text Available Self-fluxing NiCrBSi and related coatings received considerable interest due to their good wear as well as corrosion resistance at moderate and elevated temperatures. Hard tungsten carbide (WC particles can be included in NiCrBSi for further increase of the coating hardness and abrasive wear resistance. Flame spray technique is widely used for fabrication of NiCrBSi films. However, in such a case, subsequent remelting of the deposited coatings by flame, arc discharge or high power laser beam is necessary. In present study NiCrBSi-WC/Co coatings were formed using plasma transferred arc process. By adjusting plasma parameters, such as current, plasma gas flow, shielding gas flow, a number of coatings were formed on steel substrates. Structure of the coatings was investigated using X-ray diffractometry. Microstructure of cross-sectioned coatings was examined using scanning electron microscopy. Hardness of the coating was evaluated by means of the Vickers hardness tests. Wear tests were also performed on specimens to determine resistance to abrasive wear. Acquired results allowed estimating the influence of the deposition process parameters on structure and mechanical properties of the coatings.http://dx.doi.org/10.5755/j01.ms.17.2.482

  16. Excited state proton transfer dynamics of thioacetamide in S2(ππ*) state: resonance Raman spectroscopic and quantum mechanical calculations study.

    Science.gov (United States)

    Chen, Xiao; Zhao, Yanying; Zhang, Haibo; Xue, Jiadan; Zheng, Xuming

    2015-02-05

    The photophysics and photochemistry of thioacetamide (CH3CSNH2) after excitation to the S2 electronic state were investigated by using resonance Raman spectroscopy in conjunction with the complete active space self-consistent field (CASSCF) method and density functional theory (DFT) calculations. The A-band resonance Raman spectra in acetonitrile, methanol, and water were obtained at 299.1, 282.4, 266.0, 252.7, and 245.9 nm excitation wavelengths to probe the structural dynamics of thioacetamide in the S2 state. CASSCF calculations were done to determine the transition energies and structures of the lower-lying excited states, the conical intersection points CI(S2/S1) and CI(S1/S0), and intersystem crossing points. The structural dynamics of thioacetamide in the S2 state was revealed to be along eight Franck-Condon active vibrational modes ν15, ν11, ν14, ν10, ν8, ν12, ν18, and ν19, mostly in the CC/CS/CN stretches and the CNH8,9/CCH5,6,7/CCN/CCS in-plane bends as indicated by the corresponding normal mode descriptions. The S2 → S1 decay process via the S2/S1 conical intersection point as the major channel were excluded. The thione-thiol photoisomerization reaction mechanism of thioacetamide via the S2,FC → S'1,min excited state proton transfer (ESPT) reaction channel was proposed.

  17. 科技成果转化的知识转移机制及促进效应解析%Research on Knowledge Transfer Mechanism and Promotion Effect in Scientific and Technological Achievements Transfer

    Institute of Scientific and Technical Information of China (English)

    刘一君; 许龙; 张同建

    2015-01-01

    This study analyzes the characteristics of knowledge transfer in scientific and technological achievements transfer and knowledge transfer path,and proposes the promoting strategy of knowledge transfer,which provides a realistic theory reference to deepen and extend scientific and technological achievements transformation in the theory and practice.%分析科技成果转化中知识转移的特征,解析知识转移的路径,提出知识转移的促进策略,在理论和实践上为科技成果转化的深化和扩展提供现实性的理论借鉴。

  18. Software engineering technology transfer: Understanding the process

    Science.gov (United States)

    Zelkowitz, Marvin V.

    1993-01-01

    Technology transfer is of crucial concern to both government and industry today. In this report, the mechanisms developed by NASA to transfer technology are explored and the actual mechanisms used to transfer software development technologies are investigated. Time, cost, and effectiveness of software engineering technology transfer is reported.

  19. Numerical heat transfer during partially-confined, confined, and free liquid jet impingement with rotation and chemical mechanical planarization process modeling

    Science.gov (United States)

    Lallave Cortes, Jorge C.

    This work presents the use of numerical modeling for the analysis of transient and steady state liquid jet impingement for cooling application of electronics, and energy dissipation during a CMP process under the influence of a series of parameters that controls the transport phenomena mechanism. Seven thorough studies were done to explore how the flow structure and conjugated heat transfer in both the solid and fluid regions was affected by adding a secondary rotational flow during the jet impingement process. Axis-symmetrical numerical models of round jets with a spinning or static nozzle were developed using the following configurations: confined, partially-confined, and free liquid jet impingement on a rotating or stationary uniformly heated disk of finite thickness and radius. Calculations were done for various materials, namely copper, silver, Constantan, and silicon with a solid to fluid thermal conductivity ratio covering a range of 36.91.2222, at different laminar Reynolds numbers ranging from 220 to 2,000, under a broad rotational rate range of 0 to 1,000 RPM (Ekman number=infinity--3.31x10--5), nozzle-to-plate spacing (beta=0.25.5.0), dimensionless disk thicknesses (b/dn=0.167.1.67), confinement ratio (rp/rd=0.2.0.75), and Prandtl number (1.29.124.44) using NH3, H2O, FC.77 and MIL.7808 as working fluids. An engineering correlation relating the average Nusselt number with the above parameters was developed for the prediction of system performance. The simulation results compared reasonably well with previous experimental studies. The second major contribution of this research was the development of a three dimensional CMP model that shows the temperature distributions profile as an index of energy dissipation at the wafer and pad surfaces, and slurry interface. A finite element analysis was done with FIDAP 8.7.4 package under the influence of physical parameters, such as slurry flow rates (0.5.1.42 cc/s), polishing pressures (17.24.41.37 kPa), pad

  20. Radionuclide transfer. Radionuklid Transfer

    Energy Technology Data Exchange (ETDEWEB)

    Gerber, G.B.

    1993-01-01

    The research project described here had the aim to obtain further information on the transfer of nuclides during pregnancy and lactation. The tests were carried out in mini-pigs and rats receiving unchanging doses of radionuclides with the food. The following findings were revealed for the elements examined: Fe, Se, Cs and Zn were characterized by very high transfer levels in the mother, infant and foetus. A substantial uptake by the mother alone was observed for Co, Ag and Mn. The uptake by the foetus and infant here was 1 to 10 times lower. A preferential concentration in certain tissues was seen for Sr and Tc; the thyroid levels of Tc were about equally high in mothers and infants, while Sr showed less accumulation in the maternal bone. The lanthanide group of substances (Ce, Eu and Gd as well as Y and Ru) were only taken up to a very limited extent. The uptake of the examined radionuclides (Fe, Co, Ag, Ce) with the food ingested was found here to be ten times greater in rats as compared to mini-pigs. This showed that great caution must be observed, if the behaviour of radionuclides in man is extrapolated from relevant data obtained in rodents. (orig./MG)

  1. Construction of Management System Base on Mechanism and Characteristics of University Technology Transfer%基于大学技术转移机理及特征的管理体系构建

    Institute of Scientific and Technical Information of China (English)

    张娟; 吴志功

    2012-01-01

    大学技术转移管理体系处于技术转移体系的核心位置,是对技术、人员、信息、资金等因素及转移过程中各个活动的相互联系加以有效控制的一整套组织机制和运行流程.基于大学技术转移的运作机理以及涉及面广、专业性强和风险性高的特征,构建了由组织体系、流程体系、风险管理体系和支持体系四个子体系组成的大学技术转移管理体系.%University technology transfer management system is located in the cores of technology transfer system. It is a whole set of organizational mechanism and operating process which is used to control such factors as technology, staff, mas-sage and fund, and the interrelation among the activities in the course of technology transfer effectively. Based on the opera-tional mechanism and principal characters of university technology transfer, the paper constructs the university technology transfer management system, which includes organizational, flow, risk management and support system.

  2. Empirical Study on Relationship among Knowledge Transfer Mechanism and Innovation Performance%知识转移机制与创新绩效关系的实证研究

    Institute of Scientific and Technical Information of China (English)

    王斌

    2012-01-01

    从知识网络理论、知识转移理论和创新绩效理论的研究视角,构建了基于知识网络伙伴关系与知识转移机制的企业创新绩效模型。运用结构方程和逐步回归进行实证研究发现,知识转移过程机制在伙伴关系与创新绩效之间有中介作用。同时,在网络界面治理的干涉作用下,网络伙伴关系与知识转移机制对企业创新绩效的提升产生影响。%On the viewpoints of knowledge network theory, knowledge transfer theory and innovation performance theory, the thesis establishes the model of innovation performance influenced by knowledge network partnerships and knowledge transfer mechanism. It is concluded by SEM and gradual regression empirical study that there are relationships between knowledge network partnerships and innovation performance combined by knowledge transfer mechanism as mediation. Innovation performance is achieved by knowledge network partnerships and knowledge transfer mechanism under the interference of network interface governance.

  3. Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters

    KAUST Repository

    Hong, Miao

    2016-01-18

    This contribution presents a full account of experimental and theoretical/computational investigations into the N-heterocyclic carbene (NHC)-catalyzed proton-transfer polymerization (HTP) that converts common dimethacrylates (DMAs) containing no protic groups into unsaturated polyesters. This new HTP proceeds through the step-growth propagation cycles via enamine intermediates, consisting of the proposed conjugate addition–proton transfer–NHC release fundamental steps. This study examines the monomer and catalyst scopes as well as the fundamental steps involved in the overall HTP mechanism. DMAs having six different types of linkages connecting the two methacrylates have been polymerized into the corresponding unsaturated polyesters. The most intriguing unsaturated polyester of the series is that based on the biomass-derived furfuryl dimethacrylate, which showed a unique self-curing ability Four MeO– and Cl–substituted TPT (1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-ylidene) derivatives as methanol insertion products, RxTPT(MeO/H) (R = MeO, Cl; x = 2, 3), and two free carbenes (catalysts), OMe2TPT and OMe3TPT, have been synthesized, while OMe2TPT(MeO/H) and OMe2TPT have also been structurally characterized. The structure/reactivity relationship study revealed that OMe2TPT, being both a strong nucleophile and a good leaving group, exhibits the highest HTP activity and also produced the polyester with the highest Mn, while the Cl–substituted TPT derivatives are least active and efficient. Computational studies have provided mechanistic insights into the tail-to-tail dimerization coupling step as a suitable model for the propagation cycle of the HTP. The extensive energy profile was mapped out and the experimentally observed unicity of the TPT-based catalysts was satisfactorily explained with the thermodynamic formation of key spirocyclic species.

  4. A novel mechanism of sulfur transfer catalyzed by O-acetylhomoserine sulfhydrylase in the methionine-biosynthetic pathway of Wolinella succinogenes

    Energy Technology Data Exchange (ETDEWEB)

    Tran, Timothy H. [Cornell University, Ithaca, New York 14853-1301 (United States); Krishnamoorthy, Kalyanaraman; Begley, Tadhg P., E-mail: begley@tamu.edu [Texas A& M University, College Station, TX 77842 (United States); Ealick, Steven E., E-mail: begley@tamu.edu [Cornell University, Ithaca, New York 14853-1301 (United States)

    2011-10-01

    MetY is the first reported structure of an O-acetylhomoserine sulfhydrylase that utilizes a protein thiocarboxylate intermediate as the sulfur source in a novel methionine-biosynthetic pathway instead of catalyzing a direct sulfhydrylation reaction. O-Acetylhomoserine sulfhydrylase (OAHS) is a pyridoxal 5′-phosphate (PLP) dependent sulfide-utilizing enzyme in the l-cysteine and l-methionine biosynthetic pathways of various enteric bacteria and fungi. OAHS catalyzes the conversion of O-acetylhomoserine to homocysteine using sulfide in a process known as direct sulfhydrylation. However, the source of the sulfur has not been identified and no structures of OAHS have been reported in the literature. Here, the crystal structure of Wolinella succinogenes OAHS (MetY) determined at 2.2 Å resolution is reported. MetY crystallized in space group C2 with two monomers in the asymmetric unit. Size-exclusion chromatography, dynamic light scattering and crystal packing indicate that the biological unit is a tetramer in solution. This is further supported by the crystal structure, in which a tetramer is formed using a combination of noncrystallographic and crystallographic twofold axes. A search for structurally homologous proteins revealed that MetY has the same fold as cystathionine γ-lyase and methionine γ-lyase. The active sites of these enzymes, which are also PLP-dependent, share a high degree of structural similarity, suggesting that MetY belongs to the γ-elimination subclass of the Cys/Met metabolism PLP-dependent family of enzymes. The structure of MetY, together with biochemical data, provides insight into the mechanism of sulfur transfer to a small molecule via a protein thiocarboxylate intermediate.

  5. The Enzymatic Paradox of Yeast Arginyl-tRNA Synthetase: Exclusive Arginine Transfer Controlled by a Flexible Mechanism of tRNA Recognition.

    Science.gov (United States)

    McShane, Ariel; Hok, Eveline; Tomberlin, Jensen; Eriani, Gilbert; Geslain, Renaud

    2016-01-01

    Identity determinants are essential for the accurate recognition of transfer RNAs by aminoacyl-tRNA synthetases. To date, arginine determinants in the yeast Saccharomyces cerevisiae have been identified exclusively in vitro and only on a limited number of tRNA Arginine isoacceptors. In the current study, we favor a full cellular approach and expand the investigation of arginine determinants to all four tRNA Arg isoacceptors. More precisely, this work scrutinizes the relevance of the tRNA nucleotides at position 20, 35 and 36 in the yeast arginylation reaction. We built 21 mutants by site-directed mutagenesis and tested their functionality in YAL5, a previously engineered yeast knockout deficient for the expression of tRNA Arg CCG. Arginylation levels were also monitored using Northern blot. Our data collected in vivo correlate with previous observations. C35 is the prominent arginine determinant followed by G36 or U36 (G/U36). In addition, although there is no major arginine determinant in the D loop, the recognition of tRNA Arg ICG relies to some extent on the nucleotide at position 20. This work refines the existing model for tRNA Arg recognition. Our observations indicate that yeast Arginyl-tRNA synthetase (yArgRS) relies on distinct mechanisms to aminoacylate the four isoacceptors. Finally, according to our refined model, yArgRS is able to accommodate tRNA Arg scaffolds presenting N34, C/G35 and G/A/U36 anticodons while maintaining specificity. We discuss the mechanistic and potential physiological implications of these findings.

  6. Dissimilar mechanism of executing hole transfer by WO{sub 3} and MoO{sub 3} nanoparticles in organic solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Park, Eung-Kyu; Kim, Jae-Hyoung; Kim, Ji-Hwan; Park, Min-Ho; Lee, Dong-Hoon; Kim, Yong-Sang, E-mail: yongsang@skku.edu

    2015-07-31

    We investigated the effect of metal oxide nanoparticles (NPs) in poly (3,4 ethylenedioxythiophence):poly (styrene-sulfonate) layer for the light harvestation in poly (3-hexylthiophene):[6,6]-pheny-C{sub 61}-butyric acid methyl ester organic solar cells. The role of tungsten trioxide nanoparticles (WO{sub 3}) and molybdenum trioxide nanoparticles (MoO{sub 3}) in enhancing the efficiency of solar cells was compared. Due to the difference in the energy band structure of the two nanoparticles, the WO{sub 3} NPs acted as a hole blocking layer, whereas MoO{sub 3} NPs helped in the hole transfer. The solar cell with WO{sub 3} NPs at 1.5 wt% concentration showed a power conversion efficiency of 4.22% under AM 1.5G illumination and the device blended with 2 wt% of MoO{sub 3} NPs showed a power conversion efficiency of 4.40%. We measured various electrical properties including, electrochemical impedance spectroscopy and recombination mechanisms using the light intensity dependent current–voltage measurement of organic solar cell. - Highlights: • An organic solar cell was fabricated with WO{sub 3} or MoO{sub 3} NPs mixed PEDOT:PSS layer. • The effects of metallic NPs in PEDOT:PSS light harvesting system was investigated. • WO{sub 3} NPs acted as a hole blocking layer and MoO{sub 3} NPs helped in hole transporting. • The MoO{sub 3} NPs gave higher performance, reduced charge recombination and low resistance.

  7. Scope and mechanism of carbohydrase action. Stereocomplementary hydrolytic and glucosyl-transferring actions of glucoamylase and glucodextranase with alpha- and beta-D-glucosyl fluoride.

    Science.gov (United States)

    Kitahata, S; Brewer, C F; Genghof, D S; Sawai, T; Hehre, E J

    1981-06-25

    Rhizopus niveus glucoamylase and Arthrobacter globiformis glucodextranase, which catalyze the hydrolysis of starch and dextrans, respectively, to form D-glucose of inverted (beta) configuration, were found to convert both alpha- and beta-D-glucosyl fluoride to beta-D-glucose and hydrogen fluoride. Each enzyme directly hydrolyzes alpha-D-glucosyl fluoride but utilizes th beta-anomer in reactions that require 2 molecules of substrate and yield glucosyl transfer products which are then rapidly hydrolyzed to form beta-D-glucose. Various D-glucopyranosyl compounds serve as acceptors for such reactions. Mixtures of beta-D-glucosyl fluoride and methyl-alpha-D-glucopyranoside[14C], incubated with either enzyme, yielded both methyl-alpha-D-glucopyranosyl-(1 leads to 4)-alpha-D-[14C]glucopyranoside and methyl-alpha-D-glucopyranosyl-(1 leads to 6)-alpha-D-[14C]glucopyranoside. Glucoamylase produced more of the alpha-maltoside; glucodextranase produced more of the alpha-isomaltoside. Thus, both "exo-alpha-glucan hydrolases" emerge as glucosylases that catalyze stereospecifically complementary hydrolytic and transglucosylative reactions with glucosyl donors of opposite configuration. These reactions not only provide a new view of the catalytic capabilities of these supposedly strict hydrolases; they also furnish a basis for defining a detailed mechanism for catalysis. Present results, together with those of several recent studies from this laboratory (especially similar findings obtained with beta-amylase acting on alpha- and beta-maltosyl fluoride (Hehre, E. J., Brewer, C. F., and Genghof, D. S. (1979) J. Biol. Chem. 254, 5942-5950), provide strong new evidence for the functional flexibility of the catalytic groups of carbohydrases.

  8. Electron transfer in peptides.

    Science.gov (United States)

    Shah, Afzal; Adhikari, Bimalendu; Martic, Sanela; Munir, Azeema; Shahzad, Suniya; Ahmad, Khurshid; Kraatz, Heinz-Bernhard

    2015-02-21

    In this review, we discuss the factors that influence electron transfer in peptides. We summarize experimental results from solution and surface studies and highlight the ongoing debate on the mechanistic aspects of this fundamental reaction. Here, we provide a balanced approach that remains unbiased and does not favor one mechanistic view over another. Support for a putative hopping mechanism in which an electron transfers in a stepwise manner is contrasted with experimental results that support electron tunneling or even some form of ballistic transfer or a pathway transfer for an electron between donor and acceptor sites. In some cases, experimental evidence suggests that a change in the electron transfer mechanism occurs as a result of donor-acceptor separation. However, this common understanding of the switch between tunneling and hopping as a function of chain length is not sufficient for explaining electron transfer in peptides. Apart from chain length, several other factors such as the extent of the secondary structure, backbone conformation, dipole orientation, the presence of special amino acids, hydrogen bonding, and the dynamic properties of a peptide also influence the rate and mode of electron transfer in peptides. Electron transfer plays a key role in physical, chemical and biological systems, so its control is a fundamental task in bioelectrochemical systems, the design of peptide based sensors and molecular junctions. Therefore, this topic is at the heart of a number of biological and technological processes and thus remains of vital interest.

  9. Transfer Pricing

    DEFF Research Database (Denmark)

    Nielsen, Søren Bo

    2014-01-01

    Against a background of rather mixed evidence about transfer pricing practices in multinational enterprises (MNEs) and varying attitudes on the part of tax authorities, this paper explores how multiple aims in transfer pricing can be pursued across four different transfer pricing regimes. A MNE h...

  10. Pragmatic Transfer.

    Science.gov (United States)

    Kasper, Gabriele

    1992-01-01

    Attempting to clarify the concept of pragmatic transfer, this article proposes as a basic distinction Leech/Thomas' dichotomy of sociopragmatics versus pragmalinguistics, presenting evidence for transfer at both levels. Issues discussed include pragmatic universals in speech act realization, conditions for pragmatic transfer, communicative…

  11. Electron transfer reduction of nitriles using SmI2-Et3N-H2O: synthetic utility and mechanism.

    Science.gov (United States)

    Szostak, Michal; Sautier, Brice; Spain, Malcolm; Procter, David J

    2014-02-21

    The first general reduction of nitriles to primary amines under single electron transfer conditions is demonstrated using SmI2 (Kagan's reagent) activated with Lewis bases. The reaction features excellent functional group tolerance and represents an attractive alternative to the use of pyrophoric alkali metal hydrides. Notably, the electron transfer from Sm(II) to CN functional groups generates imidoyl-type radicals from bench stable nitrile precursors.

  12. Development of a Power Receiving Pickup for the Scalable Inductive Power Transfer Platform(Asia-Pacific Symposium on Applied Electromagnetics and Mechanics(APSAEM10))

    OpenAIRE

    N. L., Mohd Kamal; D., Kacprzak; Department of Electrical and Computer Engineering, The University of Auckland

    2011-01-01

    This publication presents an outline of the strategies and steps involved in designing a pickup for 2D inductive power transfer platform with selectively powered hexagonal coils. The design of the pickup coil takes advantage of the horizontal component of the magnetic field produced by the platform and is intended to transfer power from the poorly uniform magnetic field produced by the single layer platform. 3D simulations of pickup coils are made and verified using the finite element method ...

  13. Functional compensative mechanism of upper limb with root avulsion of C5-C6 of brachial plexus after ipsilateral C7 transfer

    Institute of Scientific and Technical Information of China (English)

    SONG Jie; CHEN Liang; GU Yu-dong

    2008-01-01

    Objective: To investigate the compensative mechanism of no further impairment of the upper limb after ipsilateral C7 transfer for treatment of root avuision of C5-C6 of the bra- chial plexus. Methods: Sixty Sprague Dawley SD rats were randomly divided into a CT-transection group and a control group, 30 rats each. In the C7-transection group, the left forelimbs of the animals underwent transection of ipsilat- eral C7 nerve root while C5 and C6 nerve roots were avulsed. In the control group, the left forelimbs only underwent C5 and C6 root avulsion. The representative muscles of C7 innervated mainly by C7 including latissimus dorsi, triceps, extensor carpi radialis brevis and extensor digitorum com- munis were evaluated with neurophysiological investigation, muscular histology and motor end plate histomorphometry 3, 6 and 12 weeks after operation. The right forelimbs of all rats were taken as the control sides. Results: Three weeks after operation, the recovery rates of amplitudes of compound muscle action potential CMAP and CMAP latency, muscular wet weight and cross-sec-tional area of muscle fibers, and area of postsynaptic membranes of those four representative muscles in the C7transection group were significantly lower than those of the control group P <0.05 or P <0.01. Six weeks postoperatively, the recovery rates of CMAP amplitude and latency of the triceps showed no significant difference between the C7transection group and the control group P0.05. For the extensor carpi radialis brevis and the extensor digitorum communis, the recovery rates of the cross-sectional area of muscle fibers, the amplitude and latency of CMAP and the area of postsynaptic membranes showed no significant difference between the two groups P 0.05, while the rest parameters were still significantly different between the two group P <0.05 or P <0.01. As far as the ultramicrostructure was concerned in the C7-transection group, more motor end plates of four representative muscles were

  14. Hangman Catalysis for Photo–and Photoelectro–Chemical Activation of Water Proton-Coupled Electron Transfer Mechanisms of Small Molecule Activation

    Energy Technology Data Exchange (ETDEWEB)

    Nocera, Daniel G. [Harvard Univ., Cambridge, MA (United States)

    2013-03-15

    The weakest link for the large-scale deployment of solar energy and for that matter, any renewable energy source, is its storage. The energy needs of future society demands are so large that storage must be in the form of fuels owing to their high energy density. Indeed, society has intuitively understood this disparity in energy density as it has developed over the last century as all large-scale energy storage in our society is in the form of fuels. But these fuels are carbon-based. The imperative for the discipline of chemistry, and more generally science, is to develop fuel storage methods that are easily scalable, carbon-neutral and sustainable. These methods demand the creation of catalysts to manage the multi-electron, multi-proton transformations of the conversion of small molecules into fuels. The splitting of water using solar light is a fuel-forming reaction that meets the imperative of large scale energy storage. As light does not directly act on water to engender its splitting into its elemental components, we have designed “hangman” catalysts to effect the energy conversion processes needed for the fuel forming reactions. The hangman construct utilizes a pendant acid/base functionality within the secondary coordination sphere that is “hung” above the redox platform onto which substrate binds. In this way, we can precisely control the delivery of a proton to the substrate, thus ensuring efficient coupling between the proton and electron. An emphasis was on the coupling of electron and proton in the hydrogen evolution reaction (HER) on Ni, Co and Fe porphyrin platforms. Electrokinetic rate laws were developed to define the proton-coupled electron transfer (PCET) mechanism. The HER of Co and Fe porphyrins was metal-centered. Surprisingly, HER this was not the case for Ni porphyrins. In this system, the PCET occurred at the porphyrin platform to give rise to a phlorin. This is one of the first examples of an HER occurring via ligand non

  15. Process Mechanism and Approach for Knowledge Transfer within R&D Unit%企业研发团队内部技术知识转移的过程机理与途径研究

    Institute of Scientific and Technical Information of China (English)

    疏礼兵

    2012-01-01

    在有关知识转移过程机制的国内外研究基础上,着重从团队层面揭示了企业研发团队内部技术知识转移的一般过程和内在机理,进而借用NONAKA等的模型思想,设计了研发团队内部技术知识转移的途径框架,解析知识转移的具体途径和方式,从研发团队内部技术知识转移视角为我国企业自主性技术创新绩效提升提供了几点思路.%The transfer of knowledge has become the key foundation to build competitive advantage for many organizations. Based on related literature review, this paper reveals the general process and inherent mechanism of technological knowledge transfer from the dimension of R&D unit. Then the framework of transfer ways within R&D unit is designed through using the model of Nonaka and Takeuchi to explain the specific approaches and means of technological knowledge transfer. Finally some ideas are provided for improvement of Chinese enterprises' independent innovation from the perspective of internal knowledge transfer performance of R&D unit.

  16. Advances in heat transfer

    CERN Document Server

    Hartnett, James P; Cho, Young I; Greene, George A

    2001-01-01

    Heat transfer is the exchange of heat energy between a system and its surrounding environment, which results from a temperature difference and takes place by means of a process of thermal conduction, mechanical convection, or electromagnetic radiation. Advances in Heat Transfer is designed to fill the information gap between regularly scheduled journals and university-level textbooks by providing in-depth review articles over a broader scope than is allowable in either journals or texts.

  17. Heat transfer equipment design

    Science.gov (United States)

    Shah, R. K.; Subbarao, Eleswarapu Chinna; Mashelkar, R. A.

    A comprehensive presentation is made of state-of-the-art configurations and design methodologies for heat transfer devices applicable to industrial processes, automotive systems, air conditioning/refrigeration, cryogenics, and petrochemicals refining. Attention is given to topics in heat exchanger mechanical design, single-phase convection processes, thermal design, two-phase exchanger thermal design, heat-transfer augmentation, and rheological effects. Computerized analysis and design methodologies are presented for the range of heat transfer systems, as well as advanced methods for optimization and performance projection.

  18. Electron Transfer Chain Catalysis

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    @@ Electron-transfer chain (ETC) catalysis belongs to the family of chain reactions where the electron is the catalyst. The ETC mechanism could be initiated by chemical activation, electrochemistry, or photolysis. If this pathway is applied to the preparation of organometallic complexes, it utilizes the greatly enhanced reactivity of organometallic 17e and 19e radicals. The chemical propagation is followed by the cross electron-transfer while the electron-transfer step is also followed by the chemical propagation, creating a loop in which reactants are facilely transformed into products. Interestingly the overall reaction is without any net redox change.

  19. Electron Transfer Chain Catalysis

    Institute of Scientific and Technical Information of China (English)

    LIU; LingKang

    2001-01-01

    Electron-transfer chain (ETC) catalysis belongs to the family of chain reactions where the electron is the catalyst. The ETC mechanism could be initiated by chemical activation, electrochemistry, or photolysis. If this pathway is applied to the preparation of organometallic complexes, it utilizes the greatly enhanced reactivity of organometallic 17e and 19e radicals. The chemical propagation is followed by the cross electron-transfer while the electron-transfer step is also followed by the chemical propagation, creating a loop in which reactants are facilely transformed into products. Interestingly the overall reaction is without any net redox change.  ……

  20. Mass transfer kinetic mechanism in monolithic columns and application to the characterization of new research monolithic samples with different average pore sizes.

    Science.gov (United States)

    Gritti, Fabrice; Guiochon, Georges

    2009-06-01

    A general reduced HETP (height equivalent to a theoretical plate) equation is proposed that accounts for the mass transfer of a wide range of molecular weight compounds in monolithic columns. The detailed derivatization of each one of the individual and independent mass transfer contributions (longitudinal diffusion, eddy dispersion, film mass transfer resistance, and trans-skeleton mass transfer resistance) is discussed. The reduced HETPs of a series of small molecules (phenol, toluene, acenaphthene, and amylbenzene) and of a larger molecule, insulin, were measured on three research grade monolithic columns (M150, M225, M350) having different average pore size (approximately 150, 225, and 350 A, respectively) but the same dimension (100 mm x 4.6 mm). The first and second central moments of 2 muL samples were measured and corrected for the extra-column contributions. The h data were fitted to the new HETP equation in order to identify which contribution controls the band broadening in monolithic columns. The contribution of the B-term was found to be negligible compared to that of the A-term, even at very low reduced velocities (numass transfer across the column. Experimental chromatograms exhibited variable degrees of systematic peak fronting, depending on the column studied. The heterogeneity of the distribution of eluent velocities from the column center to its wall (average 5%) is the source of this peak fronting. At high reduced velocities (nu>5), the C-term of the monolithic columns is controlled by film mass transfer resistance between the eluent circulating in the large throughpores and the eluent stagnant inside the thin porous skeleton. The experimental Sherwood number measured on the monolith columns increases from 0.05 to 0.22 while the adsorption energy increases by nearly 6 kJ/mol. Stronger adsorption leads to an increase in the value of the estimated film mass transfer coefficient when a first order film mass transfer rate is assumed (j proportional

  1. 创新驱动发展战略下的高校技术转移机制探析%Research on the Technology Transfer Mechanism in University Based on the Strategy of Innovation-Driven Development

    Institute of Scientific and Technical Information of China (English)

    孙熠

    2015-01-01

    《中共中央国务院关于深化体制机制改革加快实施创新驱动发展战略的若干意见》明确提出应建立高校技术转移机制.高校是我国科技创新的生力军,是推动技术转移、社会发展的重要力量.基于创新驱动发展战略的内涵,文章介绍了技术转移的动力机制及主要影响因素,阐述了高校技术转移存在的问题及对策建议.%Opinions on the the reform of institutional mechanisms and the strategy of innovation-driven development put forward that the technology transfer mechanism in university should be established.As the main force of science and technology innovation,universities play an important role to promote technology transfer and social development. Based on the connotation of strategy of innovation-driven development ,this paper introduces the driving mechanism and influence factors,discusses the developing status of technology transfer in university.Finally,it provides suggestions and solutions.

  2. Catalytic mechanisms of direct pyrrole synthesis via dehydrogenative coupling mediated by PNP-Ir or PNN-Ru pincer complexes: Crucial role of proton-transfer shuttles in the PNP-Ir system

    KAUST Repository

    Qu, Shuanglin

    2014-04-02

    Kempe et al. and Milstein et al. have recently advanced the dehydrogenative coupling methodology to synthesize pyrroles from secondary alcohols (e.g., 3) and β-amino alcohols (e.g., 4), using PNP-Ir (1) and PNN-Ru (2) pincer complexes, respectively. We herein present a DFT study to characterize the catalytic mechanism of these reactions. After precatalyst activation to give active 1A/2A, the transformation proceeds via four stages: 1A/2A-catalyzed alcohol (3) dehydrogenation to give ketone (11), base-facilitated C-N coupling of 11 and 4 to form an imine-alcohol intermediate (18), base-promoted cyclization of 18, and catalyst regeneration via H2 release from 1R/2R. For alcohol dehydrogenations, the bifunctional double hydrogen-transfer pathway is more favorable than that via β-hydride elimination. Generally, proton-transfer (H-transfer) shuttles facilitate various H-transfer processes in both systems. Notwithstanding, H-transfer shuttles play a much more crucial role in the PNP-Ir system than in the PNN-Ru system. Without H-transfer shuttles, the key barriers up to 45.9 kcal/mol in PNP-Ir system are too high to be accessible, while the corresponding barriers (<32.0 kcal/mol) in PNN-Ru system are not unreachable. Another significant difference between the two systems is that the addition of alcohol to 1A giving an alkoxo complex is endergonic by 8.1 kcal/mol, whereas the addition to 2A is exergonic by 8.9 kcal/mol. The thermodynamic difference could be the main reason for PNP-Ir system requiring lower catalyst loading than the PNN-Ru system. We discuss how the differences are resulted in terms of electronic and geometric structures of the catalysts and how to use the features in catalyst development. © 2014 American Chemical Society.

  3. Advances in heat transfer volume 21

    CERN Document Server

    Hartnett †, James P; Cho, Young I

    1991-01-01

    This volume in a series on heat transfer covers the modelling of the dynamics of turbulent transport processes, supercritical pressures, hydrodynamics, mass transfer near rotating surfaces, lost heat in entropy and the mechanics of heat transfer in a multifluid bubbling pool. Other related titles are "Advances in Heat Transfer", volumes 18, 19 and 20.

  4. An empirical case study of the transfer of GHG mitigation technologies from Annex 1 countries to Malaysia under the Kyoto Protocol’s Clean Development Mechanism (CDM)

    DEFF Research Database (Denmark)

    Hansen, Ulrich Elmer

    2011-01-01

    This study assesses what role the CDM currently plays in relation to the transfer of GHG mitigation technologies from Annex 1 countries to non-Annex 1 countries. The study relies on multiple sources of qualitative data and is conducted as a case study of 13 CDM projects implemented in Malaysia. I...

  5. Clarification of the Hall effect as an energy transfer mechanism in a theory of the Earth’s magnetic field and sunspots

    Directory of Open Access Journals (Sweden)

    A. de Paor

    2003-01-01

    Full Text Available Clarification is offered of the energy transfer role played by the Hall effect in a recent paper: de Paor, A., A theory of the Earth's magnetic field and of sunspots, based on a self-excited dynamo incorporating the Hall effect, Nonlinear Processes in Geophysics, 8, 265-279, 2001.

  6. Transfer Pricing

    DEFF Research Database (Denmark)

    Rohde, Carsten; Rossing, Christian Plesner

    trade internally as the units have to decide what prices should be paid for such inter-unit transfers. One important challenge is to uncover the consequences that different transfer prices have on the willingness in the organizational units to coordinate activities and trade internally. At the same time...

  7. Mechanisms and kinetics of noncatalytic ether reaction in supercritical water. 2. Proton-transferred fragmentation of dimethyl ether to formaldehyde in competition with hydrolysis.

    Science.gov (United States)

    Nagai, Yasuharu; Matubayasi, Nobuyuki; Nakahara, Masaru

    2005-04-28

    Noncatalytic reaction pathways and rates of dimethyl ether (DME) in supercritical water are determined in a tube reactor made of quartz according to liquid- and gas-phase 1H and 13C NMR observations. The reaction is studied at two concentrations (0.1 and 0.5 M) in supercritical water at 400 degrees C and over a water-density range of 0.1-0.6 g/cm3. The supercritical water reaction is compared with the neat one (in the absence of solvent) at 0.1 M and 400 degrees C. DME is found to decompose through (i) the proton-transferred fragmentation to methane and formaldehyde and (ii) the hydrolysis to methanol. Formaldehyde from reaction (i) is consecutively subjected to four types of redox reactions. Two of them proceed even without solvent: (iii) the unimolecular proton-transferred decarbonylation forming hydrogen and carbon monoxide and (iv) the bimolecular self-disproportionation generating methanol and carbon monoxide. When the solvent water is present, two additional paths are open: (v) the bimolecular self-disproportionation of formaldehyde with reactant water, producing methanol and formic acid, and (vi) the bimolecular cross-disproportionation between formaldehyde and formic acid, yielding methanol and carbonic acid. Methanol is produced through the three types of disproportionations (iv)-(vi) as well as the hydrolysis (ii). The presence of solvent water decelerates the proton-transferred fragmentation of DME; the rate constant is reduced by 40% at 0.5 g/cm3. This is caused by the suppression of low-frequency concerted motion corresponding to the reaction coordinate for the simultaneous C-O bond scission and proton transfer from one methyl carbon to the other. In contrast to the proton-transferred fragmentation, the hydrolysis of DME is markedly accelerated by increasing the water density. The latter becomes more important than the former in supercritical water at densities greater than 0.5 g/cm3.

  8. Dexter energy transfer pathways.

    Science.gov (United States)

    Skourtis, Spiros S; Liu, Chaoren; Antoniou, Panayiotis; Virshup, Aaron M; Beratan, David N

    2016-07-19

    Energy transfer with an associated spin change of the donor and acceptor, Dexter energy transfer, is critically important in solar energy harvesting assemblies, damage protection schemes of photobiology, and organometallic opto-electronic materials. Dexter transfer between chemically linked donors and acceptors is bridge mediated, presenting an enticing analogy with bridge-mediated electron and hole transfer. However, Dexter coupling pathways must convey both an electron and a hole from donor to acceptor, and this adds considerable richness to the mediation process. We dissect the bridge-mediated Dexter coupling mechanisms and formulate a theory for triplet energy transfer coupling pathways. Virtual donor-acceptor charge-transfer exciton intermediates dominate at shorter distances or higher tunneling energy gaps, whereas virtual intermediates with an electron and a hole both on the bridge (virtual bridge excitons) dominate for longer distances or lower energy gaps. The effects of virtual bridge excitons were neglected in earlier treatments. The two-particle pathway framework developed here shows how Dexter energy-transfer rates depend on donor, bridge, and acceptor energetics, as well as on orbital symmetry and quantum interference among pathways.

  9. Wide-band excited Y6(WMo)(0.5)O12:Eu red phosphor for white light emitting diode: structure evolution, photoluminescence properties, and energy transfer mechanisms involved.

    Science.gov (United States)

    Li, Huaiyong; Noh, Hyeon Mi; Moon, Byung Kee; Choi, Byung Chun; Jeong, Jung Hyun; Jang, Kiwan; Lee, Ho Sueb; Yi, Soung Soo

    2013-10-07

    Y6(WMo)(0.5)O12 activated with Eu(3+) ions was investigated as a red-emitting conversion phosphor for white light emitting diodes (WLEDs). The phosphors were synthesized by calcining a citrate-complexation precursor at different temperatures. The photoluminescence properties of the phosphors and the energy transfer mechanisms involved were studied as a function of structure evolution. It was found that the host lattices were crystallized in a cubic or a hexagonal phase depending on the synthesis conditions. Although all the phosphors showed intensive red emission under an excitation of near-UV or blue light due to energy transfer from the host lattices to Eu(3+) ions, the photoluminescence spectra and temporal decay features were found to vary significantly with the structure and crystallinity of the host lattice. The mechanisms of the energy transfer from the host lattices to Eu(3+) ions and energy quenching among Eu(3+) ions were discussed on the basis of structure evolution of the host lattice. Phosphors calcined at 800 and 1300 °C were suggested to be promising candidates for blue and near-UV light excited WLEDs, respectively.

  10. Principles of tendon transfers.

    Science.gov (United States)

    Coulet, B

    2016-04-01

    Tendon transfers are carried out to restore functional deficits by rerouting the remaining intact muscles. Transfers are highly attractive in the context of hand surgery because of the possibility of restoring the patient's ability to grip. In palsy cases, tendon transfers are only used when a neurological procedure is contraindicated or has failed. The strategy used to restore function follows a common set of principles, no matter the nature of the deficit. The first step is to clearly distinguish between deficient muscles and muscles that could be transferred. Next, the type of palsy will dictate the scope of the program and the complexity of the gripping movements that can be restored. Based on this reasoning, a surgical strategy that matches the means (transferable muscles) with the objectives (functions to restore) will be established and clearly explained to the patient. Every paralyzed hand can be described using three parameters. 1) Deficient segments: wrist, thumb and long fingers; 2) mechanical performance of muscles groups being revived: high energy-wrist extension and finger flexion that require strong transfers with long excursion; low energy-wrist flexion and finger extension movements that are less demanding mechanically, because they can be accomplished through gravity alone in some cases; 3) condition of the two primary motors in the hand: extrinsics (flexors and extensors) and intrinsics (facilitator). No matter the type of palsy, the transfer surgery follows the same technical principles: exposure, release, fixation, tensioning and rehabilitation. By performing an in-depth analysis of each case and by following strict technical principles, tendon transfer surgery leads to reproducible results; this allows the surgeon to establish clear objectives for the patient preoperatively.

  11. "Transfer Shock" or "Transfer Ecstasy?"

    Science.gov (United States)

    Nickens, John M.

    The alleged characteristic drop in grade point average (GPA) of transfer students and the subsequent rise in GPA was investigated in this study. No statistically significant difference was found in first term junior year GPA between junior college transfers and native Florida State University students after the variance accounted for by the…

  12. 载人登月转移轨道偏差传播机理分析与稳健性设计%Analysis of transfer orbit deviation propagation mechanism and robust design for manned lunar landing

    Institute of Scientific and Technical Information of China (English)

    贺波勇; 李海阳; 张波

    2013-01-01

    载人登月转移轨道具有飞行时间长,动力学模型复杂,非线性强且变系数的特点,而载人登月工程对转移轨道可靠性要求极高,研究地月转移轨道偏差传播机理和轨道稳健性设计不仅具有工程意义,更具有探索地月空间复杂引力场对轨道偏差作用的科学意义。本文首先分析了日地月中心引力和地球J2项摄动等主要作用力对转移轨道偏差的作用范围与影响大小,其次提出了一种基于标称轨道数据的变系数非线性动力学系统偏差传播机理解析分析方法,最后构建了基于偏差传播矩阵的转移轨道稳健性评价指标,并基于NSGA-II (Nondominated Sorting Genetic Algorithms)算法求解了载人登月转移轨道稳健性优化设计问题。仿真结果表明,本文提出的偏差传播机理分析方法能快速准确地求解出载人登月转移轨道偏差传播矩阵,利用偏差传播矩阵进行协方差分析和中途修正脉冲计算是简单准确的,考虑稳健性的转移轨道优化设计可以提高标称轨道品质。%Earth-moon transfer orbit for manned lunar landing needs a long flight time, complex, nonlinear and variable coefficient dynamics model, and asks for a high reliability. Analysis of deviation propagation mechanism and robust design of transfer orbit are investigated in this paper. It is not only practical for projecting, but also significant for exploring the role of earth-moon space gravitational field upon transfer orbit deviation. This paper analyses firstly the boundary and the amplitude of the sun, earth, and moon central gravitation, the earth J2 perturbation that affect the transfer orbit deviation transmission. And then a method to analyse the deviation propagation mechanism based on nominal orbital data is obtained analytically. A robust indicator of transfer orbit based on deviation transition matrix is proposed,and a robust optimization design method that employs NSGA

  13. Prospects for Money Transfer Models

    CERN Document Server

    Wang, Y; Xi, N; Wang, Yougui; Ding, Ning; Xi, Ning

    2005-01-01

    Recently, in order to explore the mechanism behind wealth or income distribution, several models have been proposed by applying principles of statistical mechanics. These models share some characteristics, such as consisting of a group of individual agents, a pile of money and a specific trading rule. Whatever the trading rule is, the most noteworthy fact is that money is always transferred from one agent to another in the transferring process. So we call them money transfer models. Besides explaining income and wealth distributions, money transfer models can also be applied to other disciplines. In this paper we summarize these areas as statistical distribution, economic mobility, transfer rate and money creation. First, money distribution (or income distribution) can be exhibited by recording the money stock (flow). Second, the economic mobility can be shown by tracing the change in wealth or income over time for each agent. Third, the transfer rate of money and its determinants can be analyzed by tracing t...

  14. Some observations on the development of superior photocatalytic systems for application to water purification by the "adsorb and shuttle" or the interphase charge transfer mechanisms.

    Science.gov (United States)

    Langford, Cooper; Izadifard, Maryam; Radwan, Emad; Achari, Gopal

    2014-11-26

    Adsorb and shuttle (A/S) and interfacial charge transfer are the two major strategies for overcoming recombination in photocatalysis in this era of nanoparticle composites. Their relationships are considered here. A review of key literature is accompanied by a presentation of three new experiments within the overall aim of assessing the relation of these strategies. The cases presented include: A/S by a high silica zeolite/TiO2 composite, charge transfer (CT) between phases in a TiO2/WO3 composite and both A/S and CT by composites of TiO2 with powered activated carbon (AC) and single-walled carbon nanotubes (SWCNT). The opportunities presented by the two strategies for moving toward photocatalysts that could support applications for the removal of contaminants from drinking water or that lead to a practical adsorbent for organics that could be regenerated photocatalytically link this discussion to ongoing research here.

  15. Some Observations on the Development of Superior Photocatalytic Systems for Application to Water Purification by the “Adsorb and Shuttle” or the Interphase Charge Transfer Mechanisms

    Directory of Open Access Journals (Sweden)

    Cooper Langford

    2014-11-01

    Full Text Available Adsorb and shuttle (A/S and interfacial charge transfer are the two major strategies for overcoming recombination in photocatalysis in this era of nanoparticle composites. Their relationships are considered here. A review of key literature is accompanied by a presentation of three new experiments within the overall aim of assessing the relation of these strategies. The cases presented include: A/S by a high silica zeolite/TiO2 composite, charge transfer (CT between phases in a TiO2/WO3 composite and both A/S and CT by composites of TiO2 with powered activated carbon (AC and single-walled carbon nanotubes (SWCNT. The opportunities presented by the two strategies for moving toward photocatalysts that could support applications for the removal of contaminants from drinking water or that lead to a practical adsorbent for organics that could be regenerated photocatalytically link this discussion to ongoing research here.

  16. Charge transfer mechanism for the formation of metallic states at the KTaO3/SrTiO3 interface

    KAUST Repository

    Nazir, Safdar

    2011-03-29

    The electronic and optical properties of the KTaO3/SrTiO3 heterointerface are analyzed by the full-potential linearized augmented plane-wave approach of density functional theory. Optimization of the atomic positions points at subordinate changes in the crystal structure and chemical bonding near the interface, which is due to a minimal lattice mismatch. The creation of metallic interface states thus is not affected by structural relaxation but can be explained by charge transfer between transition metal and oxygen atoms. It is to be expected that a charge transfer is likewise important for related interfaces such as LaAlO3/SrTiO3. The KTaO3/SrTiO3 system is ideal for disentangling the complex behavior of metallic interface states, since almost no structural relaxation takes place.

  17. Electronic structures of TiO2-TCNE, -TCNQ, and -2,6-TCNAQ surface complexes studied by ionization potential measurements and DFT calculations: Mechanism of the shift of interfacial charge-transfer bands

    Science.gov (United States)

    Fujisawa, Jun-ichi; Hanaya, Minoru

    2016-06-01

    Interfacial charge-transfer (ICT) transitions between inorganic semiconductors and π-conjugated molecules allow direct charge separation without loss of energy. This feature is potentially useful for efficient photovoltaic conversions. Charge-transferred complexes of TiO2 nanoparticles with 7,7,8,8-tetracyanoquinodimethane (TCNQ) and its analogues (TCNX) show strong ICT absorption in the visible region. The ICT band was reported to be significantly red-shifted with extension of the π-conjugated system of TCNX. In order to clarify the mechanism of the red-shift, in this work, we systematically study electronic structures of the TiO2-TCNX surface complexes (TCNX; TCNE, TCNQ, 2,6-TCNAQ) by ionization potential measurements and density functional theory (DFT) calculations.

  18. Influence of fluid-mechanical characteristics of the system on the volumetric mass transfer coefficient and gas dispersion in three-phase system

    Directory of Open Access Journals (Sweden)

    Knežević Milena M.

    2014-01-01

    Full Text Available Distribution of gas bubbles and volumetric mass transfer coefficient, Kla, in a three phase system, with different types of solid particles at different operation conditions were studied in this paper. The ranges of superficial gas and liquid velocities used in this study were 0,03-0,09 m/s and 0-0,1 m/s, respectively. The three different types of solid particles were used as a bed in the column (glass dp=3 mm, dp=6 mm; ceramic dp=6 mm. The experiments were carried out in a 2D plexiglas column, 278 x 20,4 x 500 mm and in a cylindrical plexiglas column, with a diameter of 64 mm and a hight of 2000 mm. The Kla coefficient increased with gas and liquid velocities. Results showed that the volumetric mass transfer coefficient has a higher values in three phase system, with solid particles, compared with two phase system. The particles properties (diameter and density have a major impact on oxygen mass transfer in three phase systems.

  19. Misdiagnosis of spider bites: bacterial associates, mechanical pathogen transfer, and hemolytic potential of venom from the hobo spider, Tegenaria agrestis (Araneae: Agelenidae).

    Science.gov (United States)

    Gaver-Wainwright, Melissa M; Zack, Richard S; Foradori, Matthew J; Lavine, Laura Corley

    2011-03-01

    The European spider Tegenaria agrestis (Walckenaer) (hobo spider) has been implicated as a spider of medical importance in the Pacific Northwest since its introduction in the late 1980s. Studies have indicated that the hobo spider causes necrotic tissue lesions through hemolytic venom or through the transfer of pathogenic bacteria introduced by its bite. Bacterial infections are often diagnosed as spider bites, in particular the pathogenic bacteria methicillin-resistant Staphylococcus aureus (MRSA). This study examines three aspects of the potential medical importance of hobo spiders in part of its introduced range, Washington State. First, the bacterial diversity of the spider was surveyed using a polymerase chain reaction-based assay to determine whether the spider carries any pathogenic bacteria. Second, an experiment was conducted to determine the ability of the spiders to transfer MRSA. Third, the venom was evaluated to assess the hemolytic activity. We found 10 genera of ubiquitous bacteria on the exterior surface of the spiders. In addition, none of the spiders exposed to MRSA transferred this pathogen. Finally, the hemolytic venom assay corroborates previous studies that found hobo spider venom was not deleterious to vertebrate red blood cells.

  20. Energetic Mechanism of Cytochrome c-Cytochrome c Oxidase Electron Transfer Complex Formation under Turnover Conditions Revealed by Mutational Effects and Docking Simulation.

    Science.gov (United States)

    Sato, Wataru; Hitaoka, Seiji; Inoue, Kaoru; Imai, Mizue; Saio, Tomohide; Uchida, Takeshi; Shinzawa-Itoh, Kyoko; Yoshikawa, Shinya; Yoshizawa, Kazunari; Ishimori, Koichiro

    2016-07-15

    Based on the mutational effects on the steady-state kinetics of the electron transfer reaction and our NMR analysis of the interaction site (Sakamoto, K., Kamiya, M., Imai, M., Shinzawa-Itoh, K., Uchida, T., Kawano, K., Yoshikawa, S., and Ishimori, K. (2011) Proc. Natl. Acad. Sci. U.S.A. 108, 12271-12276), we determined the structure of the electron transfer complex between cytochrome c (Cyt c) and cytochrome c oxidase (CcO) under turnover conditions and energetically characterized the interactions essential for complex formation. The complex structures predicted by the protein docking simulation were computationally selected and validated by the experimental kinetic data for mutant Cyt c in the electron transfer reaction to CcO. The interaction analysis using the selected Cyt c-CcO complex structure revealed the electrostatic and hydrophobic contributions of each amino acid residue to the free energy required for complex formation. Several charged residues showed large unfavorable (desolvation) electrostatic interactions that were almost cancelled out by large favorable (Columbic) electrostatic interactions but resulted in the destabilization of the complex. The residual destabilizing free energy is compensated by the van der Waals interactions mediated by hydrophobic amino acid residues to give the stabilized complex. Thus, hydrophobic interactions are the primary factors that promote complex formation between Cyt c and CcO under turnover conditions, whereas the change in the electrostatic destabilization free energy provides the variance of the binding free energy in the mutants. The distribution of favorable and unfavorable electrostatic interactions in the interaction site determines the orientation of the binding of Cyt c on CcO.

  1. Radiative electronic energy transfer-time studies of naphthalene-biacetyl system by one and two-photon excitation, and optical antenna mechanism.

    Science.gov (United States)

    Bayrakceken, Fuat

    2005-04-01

    In principle, the optical energy absorbed by a complex molecule raises that molecule to one of its excited states, and afterwards this excitation energy decays through the relaxation channels. Initially, electronically excited naphthalene emits photons and these emitted photons are absorbed by the acceptor molecule biacetyl, then excited biacetyl fluoresces. In this investigation radiative energy transfer-time is measured in cyclohexane by one and two-photon excitations. The UV-vis spectrum of biacetyl vapor at room temperature conditions was broad and structureless.

  2. Burden Transfer to Social Security and its Self-enforcing Mechanism%社会保障成本转嫁及其自我强化机制

    Institute of Scientific and Technical Information of China (English)

    赵曼

    2011-01-01

    在我国经济体制转轨过程中,社会保障一直承担着国有企业改革的成本转嫁。近年来,某些重大公共工程和公共政策,诸如三峡工程、南水北调工程等,也向社会保障进行成本转嫁,加重了社会保障的负担。本文认为,为了防止把社会保障变成转嫁成本的"公地",应建立社会保障评估制度,对重大工程和公共政策实行事先的社会保障评估。%During the opening up and reform,social security has been shouldering the transfer burden caused by the reform of state-owned enterprises.The major public projects such as three Georges Project and South-to-North Water Diversion Project are transferring cost burden to social security.Even some public policies ran counter to the reality;harm the interests of the disadvantaged and worsening the burden of social security.All these decision-makings always neglect the social costs caused by the distribution effect,such as employment,disability,poverty and unhealthiness.The social costs ultimately turned into the costs of social security through various channels,which in turn will weaken the incentives of relevant parties to reduce the probabilities of employment and disability.Therefore,in social security,burden transfer will cause greater burden transfer and become a vicious cycle in the end.To prevent the social security from turning into the "common resources",we should draw lessons from environmental protection and adopt ex ante social security evaluation on the major projects and public policies.

  3. Federal Technology Transfer Act (FTTA)

    Science.gov (United States)

    EPA's Federal Technology Transfer Act (FTTA) is a mechanism with which EPA can patent its inventions and license them to companies, through which innovative technologies can enter the marketplace to improve the environment and human health.

  4. Morphology and Mechanism of Gaussian Distributed Laser Induced Forward Transfer Cu Film%高斯分布激光前向转印Cu薄膜形貌及机理

    Institute of Scientific and Technical Information of China (English)

    刘威; 窦广彬; 王春青; 田艳红; 叶交托

    2013-01-01

    激光诱发前向转印技术,作为一种微加工手段,具有制备微小结构的能力,目前已经成为微细加工领域的研究热点.通过改变高斯分布激光脉冲功率密度,进行了Cu薄膜在石英玻璃表面的转印实验,并对转印沉积薄膜进行了光学显微镜、扫描电子显微镜(SEM)和X射线光电子能谱(XPS)表面氧化状态分析,探讨了激光脉冲功率密度与沉积薄膜的尺寸、特殊形貌以及薄膜厚度均匀性的关系,并在此基础上研究了激光转印Cu薄膜的机理.结果表明,当激光平均脉冲功率密度达到1×105 W/cm2时,Cu薄膜的转印才可以发生.随着激光脉冲功率密度的增加,转印Cu薄膜尺寸增加,并由薄膜转变为圆环形,最终尺寸达到一定值.激光转印薄膜表层10 nm以下,基本上没有氧化发生.薄膜附着在基板上,连接紧密,并未观察到明显的扩散迹象.%As a method of micro fabrication, laser induced forward transfer (LIFT) technology can be used to make microstructures. Presently, the fabrication process has become a popular issue in the field of micro-machining. A Cu thin film is transferred from one quartz substrate to another quartz substrate by regulating the pulse power density of Gaussian distributed laser beam. The transferred Cu thin film is characterized by optical microscopy, scanning electron microscopy (SEM), and X-ray photoelectron microscopy (XPS) analysis. The relationship between pulse power density of laser beam and size, special morphology and uniformity of transferred Cu film is discussed, and the oxidation condition of the transferred Cu film is also studied. Moreover, the mechanism of the transferred process is analyzed based on the results. It is found that the Cu film transfer process can be realized when the average pulse power density of laser beam reaches 1×105 W/cm2. With the increase of pulse power density of laser beam, the size of transferred Cu film is also enlarged, and reaches a

  5. Knowledge Transfers following Acquisition

    DEFF Research Database (Denmark)

    Gammelgaard, Jens

    2001-01-01

    Prior relations between the acquiring firm and the target company pave the way for knowledge transfers subsequent to the acquisitions. One major reason is that through the market-based relations the two actors build up mutual trust and simultaneously they learn how to communicate. An empirical...... study of 54 Danish acquisitions taking place abroad from 1994 to 1998 demonstrated that when there was a high level of trust between the acquiring firm and the target firm before the take-over, then medium and strong tie-binding knowledge transfer mechanisms, such as project groups and job rotation...

  6. Beyond unidirectional knowledge transfer

    DEFF Research Database (Denmark)

    Ulhøi, John Parm; Neergaard, Helle; Bjerregaard, Toke

    2012-01-01

    Using theory on technology transfer and on trust and an indepth study of nine university departments and nineteen science-based small and medium-sized enterprises (SMEs), the authors explore the nature and direction of knowledge flows during university-industry R&D collaboration. More specifically......, they examine the nature and direction of R&D technological knowledge transfer in collaborations between universities and science-based SMEs and the primary mechanisms regulating such collaborations. The findings suggest that these collaborations are highly recursive processes of technological knowledge...

  7. Investigation of heat transfer in zirconium potassium perchlorate at low temperature: A study of the failure mechanism of the NASA standard initiator

    Science.gov (United States)

    Varghese, Philip L.

    1989-01-01

    The objective of this work was to study the reasons for the failure of pyrotechnic initiators at very low temperatures (10 to 100 K). A two-dimensional model of the NASA standard initiator was constructed to model heat transfer from the electrically heated stainless steel bridgewire to the zirconium potassium perchlorate explosive charge and the alumina charge cup. Temperature dependent properties were used in the model to simulate initiator performance over a wide range of initial temperatures (10 to 500 K). A search of the thermophysical property data base showed that pure alumina has a very high thermal conductivity at low temperatures. It had been assumed to act as a thermal insulator in all previous analyses. Rapid heat transfer from the bridgewire to the alumina at low initial temperatures was shown to cause failure of the initiators if the wire did not also make good contact with the zirconium potassium perchlorate charge. The mode is able to reproduce the results of the tests that had been conducted to investigate the cause for failure. It also provides an explanation for previously puzzling results and suggests simple design changes that will increase reliability at very low initial temperatures.

  8. Review on modified TiO2 photocatalysis under UV/visible light: selected results and related mechanisms on interfacial charge carrier transfer dynamics.

    Science.gov (United States)

    Kumar, S Girish; Devi, L Gomathi

    2011-11-24

    Titania is one of the most widely used benchmark standard photocatalysts in the field of environmental applications. However, the large band gap of titania and massive recombination of photogenerated charge carriers limit its overall photocatalytic efficiency. The former can be overcome by modifying the electronic band structure of titania including various strategies like coupling with a narrow band gap semiconductor, metal ion/nonmetal ion doping, codoping with two or more foreign ions, surface sensitization by organic dyes or metal complexes, and noble metal deposition. The latter can be corrected by changing the surface properties of titania by fluorination or sulfation or by the addition of suitable electron acceptors besides molecular oxygen in the reaction medium. This review encompasses several advancements made in these aspects, and also some of the new physical insights related to the charge transfer events like charge carrier generation, trapping, detrapping, and their transfer to surface are discussed for each strategy of the modified titania to support the conclusions derived. The synergistic effects in the mixed polymorphs of titania and also the theories proposed for their enhanced activity are reported. A recent venture on the synthesis and applications of anatase titania with a large percentage of reactive {001} facets and their band gap extension to the visible region via nonmetal ion doping which is a current hot topic is briefly outlined.

  9. Impact of the nature and composition of the mobile phase on the mass transfer mechanism in chiral reversed phase liquid chromatography. Application to the minimization of the solvent cost in chiral separations.

    Science.gov (United States)

    Gritti, Fabrice; Guiochon, Georges

    2014-01-31

    The mechanism of mass transfer was studied on a cellulose-based chiral stationary phase (CSP, Lux Cellulose-1) using aqueous mixtures of acetonitrile (50/50-90/10, v/v) or methanol (90/10 and 100/0, v/v) as the mobile phase. An experimental protocol validated in RPLC and HILIC chromatography and recently extended to chiral RPLC was applied. The five mass-transfer contributions (longitudinal diffusion, short-range and long-range eddy dispersion, solid-liquid mass transfer resistances due to finite intra-particle diffusivity and slow adsorption-desorption) to the reduced height equivalent to a theoretical plate (HETP) were measured. The experimental results show that the adsorption rate constants kads of trans-stilbene enantiomers onto the CSP are three times larger with acetonitrile than with methanol as the organic modifier. This is correlated to the decrease of enantioselectivity from 1.4 (in methanol) to only 1.1 (in acetonitrile). The amount of solvent needed to achieve a separation factor of exactly 2.0 was determined. This showed that analysis cost could be reduced seven times by selecting pure methanol as the eluent for a 5cm long column rather than an acetonitrile-water mixture for a longer (20-45cm) column.

  10. Intra-firm Horizontal Knowledge Transfer Management

    Institute of Scientific and Technical Information of China (English)

    WANG Yaowu; WANG Yanhang

    2009-01-01

    Knowledge transfer is widely emphasized as a strategic issue for firm competition. A model for intra-firm horizontal knowledge transfer is proposed to model horizontal knowledge transfer to solve some demerits in current knowledge transfer researches. The concept model of intra-firm horizontal knowledge transfer was described and a framework was provided to define the main components of thetransfer process. Horizontal knowledge transfer is that knowledge is transferred from the source to the same hierarchical level recipients as the target. Horizontal knowledge transfer constitutes a strategic area of knowledge management research. However, little is known about the circumstances under which one particular mechanism is the most appropriate. To address these issues, some significant conclusions are drawn concerning knowledge transfer mechanisms in a real-world setting.

  11. Investigation on heat transfer mechanism of impinging jet with cross-flow%横流对冲击射流换热特性的影响

    Institute of Scientific and Technical Information of China (English)

    张传杰; 孙纪宁; 李浩; 毛宏霞

    2011-01-01

    用实验和数值计算的方法研究了横流对单孔短距冲击换热特性的影响规律.结果表明:①在实验研究范围内,冲击靶面平均努塞尔数Nuav,is随横流的增大而增大;②冲击靶面前区努塞尔数Nufia随横流的增大而减小,这是因为壁面附近x负向流动的气流流速绝对值变小,换热削弱;③靶面冲击点附近及冲击靶面后区努塞尔数Nubia随横流的增大而增大,原因是在冲击点上游出现的马蹄涡的旋涡方向和冲击射流自身形成的卷吸涡拉伸涡对方向相同,这两种涡的叠加使该区域冲击靶面的换热得到增强.%Experimental and numerical investigations were made to simulate heat transfer characteristics of a single impinging hole and short impinging distance with cross-flow.The results show that:(1)in the experiment,the average Nusselt number of the impingement surface increases with the increase of cross-flow;(2)the Nusselt number in the front impact area decreases with the increase of cross-flow,because the flow velocity near the wall decreases,weakening the heat transfer effect;(3)the Nusselt number behind impact area near the impact point increases with the increase of cross-flow,because the vortexes directions between the horseshoe vortex in the upstream near the impact point and the stretching vortex produced by impinging jet are the same,and these two vortexes enhance the heat transfer in the impact surface.

  12. Ultrafast spectroscopy studies on the mechanism of electron transfer and energy conversion in the isolated pseudo ginseng, water hyacinth and spinach chloroplasts

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The spectroscopy characteristics and the fluorescence lifetime for the chloroplasts isolated from the pseudo ginseng, water hyacinth and spinach plant leaves have been studied by absorption spectra, low temperature steady-state fluorescence spectroscopy and single photon counting measurement under the same conditions and by the same methods. The similarity of the absorption spectra for the chloroplasts at room temperature suggests that different plants can efficiently absorb light of the same wavelength. The fluorescence decays in PS II measured at the natural QA state for the chloroplasts have been fitted by a three-exponential kinetic model. The three fluorescence lifetimes are 30, 274 and 805 ps for the pseudo ginseng chloroplast; 138, 521 and 1494 ps for the water hyacinth chloroplast; 197, 465 and 1459 ps for the spinach chloroplast, respectively. The slow lifetime fluorescence component is assigned to a collection of associated light harvesting Chl a/b proteins, the fast lifetime component to the reaction center of PS II and the middle lifetime component to the delay fluorescence of recombination of and Pheo-. The excitation energy conversion efficiency (η) in PS II RC is defined and calculated on the basis of the 20 ps electron transfer time constant model, 60%, 87% and 91% for the pseudo ginseng, water hyacinth and spinach chloroplasts, respectively. This interesting result is in unconformity with what is assumed to be 100% efficiency in PS II RC. Our result in this work stands in line with the 20 ps electron transfer time constant in PS II rather sound and the water hyacinth plant grows slower than the spinach plant does as envisaged on the efficiency. But, our results predict that those plants can perform highly efficient transfer of photo-excitation energy from the light-harvesting pigment system to the reaction center (closely to 100%). The conclusion contained in this paper reveals the plant growth characteristics expressed in the primary processes of

  13. Technology Transfer

    Science.gov (United States)

    Smith, Nanette R.

    1995-01-01

    The objective of this summer's work was to attempt to enhance Technology Application Group (TAG) ability to measure the outcomes of its efforts to transfer NASA technology. By reviewing existing literature, by explaining the economic principles involved in evaluating the economic impact of technology transfer, and by investigating the LaRC processes our William & Mary team has been able to lead this important discussion. In reviewing the existing literature, we identified many of the metrics that are currently being used in the area of technology transfer. Learning about the LaRC technology transfer processes and the metrics currently used to track the transfer process enabled us to compare other R&D facilities to LaRC. We discuss and diagram impacts of technology transfer in the short run and the long run. Significantly, it serves as the basis for analysis and provides guidance in thinking about what the measurement objectives ought to be. By focusing on the SBIR Program, valuable information regarding the strengths and weaknesses of this LaRC program are to be gained. A survey was developed to ask probing questions regarding SBIR contractors' experience with the program. Specifically we are interested in finding out whether the SBIR Program is accomplishing its mission, if the SBIR companies are providing the needed innovations specified by NASA and to what extent those innovations have led to commercial success. We also developed a survey to ask COTR's, who are NASA employees acting as technical advisors to the SBIR contractors, the same type of questions, evaluating the successes and problems with the SBIR Program as they see it. This survey was developed to be implemented interactively on computer. It is our hope that the statistical and econometric studies that can be done on the data collected from all of these sources will provide insight regarding the direction to take in developing systematic evaluations of programs like the SBIR Program so that they can

  14. 能量自治无线电能传输微网及其簇群机制%Cluster mechanism of wireless power transfer microgrid under energy autonomy

    Institute of Scientific and Technical Information of China (English)

    赵志浩; 孙跃; 呼爱国; 戴欣

    2016-01-01

    An uneven cluster mechanism and its algorithm were proposed for the wireless power trans-fer microgrid under energy autonomy without external energy input.Different nodes were selected as the cluster head nodes in turns with the consideration of the energy storage for the energy load bal-ance.An uneven cluster mechanism was developed to help establish an energy buffer area that is bene-ficial to enhance the power supply stability of this microgrid.The cluster gate nodes were introduced to reduce the energy consumption during the power transfer process,and an energy consumption mod-el was established for the wireless power transfer microgrid.Finally,the simulation results show that the cluster mechanism proposed in this paper has significantly improved the energy load balance,and thus increases the maximum steady state operation period of the wireless power transfer microgrid.%针对无线电能传输微网无外部能量注入的能量自治情况,提出一种不均匀簇群机制及其相关算法。节点群周期性进行簇群选举,簇首由节点轮流担当,并考虑候选节点能量特性,以保证网络能量负荷均衡,同时通过簇群的不均匀结构在负载节点附近建立能量缓冲带以提升能量供应的稳定性,引入簇间节点减少簇群间能量传输损耗。具体分析了簇群机制的能量损耗并建立了相关网络能量损耗模型。仿真结果表明:相对普通簇群机制,提出的无线电能传输微网簇群机制有效地改善了能量负荷均衡特性,从而提升了网络最大稳态期。

  15. Blastocyst Transfer

    OpenAIRE

    sprotocols

    2014-01-01

    ### Method: Blastocyst transfer is usually performed 24 hours after aggregation when the morulae have become expanded blastocysts and on the same day as injection. A little time is given between injection and transfer to allow blastocysts to re-expand. **The Recipient** Careful selection of the recipient is most important as the pups are the end result of a lot of hard work. Two strains of mice are used:RB Swiss and (CBA*C57BL6/J)f1. RB Swiss are quiet and make excellent mothers ...

  16. Heat transfer

    CERN Document Server

    Holman, J P

    2010-01-01

    As one of the most popular heat transfer texts, Jack Holman's "Heat Transfer" is noted for its clarity, accessible approach, and inclusion of many examples and problem sets. The new tenth edition retains the straight-forward, to-the-point writing style while covering both analytical and empirical approaches to the subject. Throughout the book, emphasis is placed on physical understanding while, at the same time, relying on meaningful experimental data in those situations that do not permit a simple analytical solution. New examples and templates provide students with updated resources for computer-numerical solutions.

  17. Surveillance-based Mechanisms in MUVEs (MultiUser Virtual Environments used for Monitoring, Data Gathering and Evaluation of Knowledge Transfer in VirtuReality

    Directory of Open Access Journals (Sweden)

    Jakub Štogr

    2011-04-01

    Full Text Available Multiuser virtual environments (MUVEs generate a large amount of data but most of them are not accessible even to users who triggered them. What’s more, most datasets are not even stored for further use; they have only temporary character and very short "halftime of decay" limited f.e. to onesecondlong screen display. Such a huge loss of data makes evaluation of knowledge transfer in MUVEs almost impossible. There is a need to both improve monitoring capabilities of MUVEs to be able to make completion assessment and use MUVEs that enable simulation (reexperience using complete datasets gathered from environment itself. Future research in the field of simulation methodology is suggested.

  18. Investigation of electronic band structure and charge transfer mechanism of oxidized three-dimensional graphene as metal-free anodes material for dye sensitized solar cell application

    Science.gov (United States)

    Loeblein, Manuela; Bruno, Annalisa; Loh, G. C.; Bolker, Asaf; Saguy, Cecile; Antila, Liisa; Tsang, Siu Hon; Teo, Edwin Hang Tong

    2017-10-01

    Dye-sensitized solar cells (DSSCs) offer an optimal trade-off between conversion-efficiency and low-cost fabrication. However, since all its electrodes need to fulfill stringent work-function requirements, its materials have remained unchanged since DSSC's first report early-90s. Here we describe a new material, oxidized-three-dimensional-graphene (o-3D-C), with a band gap of 0.2 eV and suitable electronic band-structure as alternative metal-free material for DSSCs-anodes. o-3D-C/dye-complex has a strong chemical bonding via carboxylic-group chemisorption with full saturation after 12 sec at capacity of ∼450 mg/g (600x faster and 7x higher than optimized metal surfaces). Furthermore, fluorescence quenching of life-time by 28-35% was measured demonstrating charge-transfer from dye to o-3D-C.

  19. Driving Mechanism Study on Rural Labour Force's Transference Under the City and Countryside Overall Plan%城乡统筹视角下农村劳动力转移驱动机理研究

    Institute of Scientific and Technical Information of China (English)

    石永明; 邱道持; 骆东奇

    2011-01-01

    农村劳动力转移对促进社会主义新农村建设、解决“三农”问题意义重大.本文以重庆市璧山县为例,在对2个街办3个乡镇150余农户抽样调查基础上分析了该地区农村劳动力转移的经济学、土地流转、心理学和社会学方面的驱动机理,并提出加快农村劳动力转移需完善保障机制、发展现代农业、加快城镇建设等一系列建议.%Rural Labour Force's Transference has big sense in promoting the socialistic new rural construction and resolving the "countryside-agriculture-farmer" problems. On the census data from more than 150 rural families (mainly is egress work) and more than 150 peasant laborer being out of 3 towns and 2 sub-district offices in the Chongqing Municipality's Bishan County, this paper has analyzed its economic, psychological and land circulation and sociological driving mechanism, and proposed to consummate the safeguard mechanism, to develop modern agriculture, to develop the town construction and so on a series of suggestions for speeding up the Rural Labour Force's Transference.

  20. Neutron signal transfer analysis

    CERN Document Server

    Pleinert, H; Lehmann, E

    1999-01-01

    A new method called neutron signal transfer analysis has been developed for quantitative determination of hydrogenous distributions from neutron radiographic measurements. The technique is based on a model which describes the detector signal obtained in the measurement as a result of the action of three different mechanisms expressed by signal transfer functions. The explicit forms of the signal transfer functions are determined by Monte Carlo computer simulations and contain only the distribution as a variable. Therefore an unknown distribution can be determined from the detector signal by recursive iteration. This technique provides a simple and efficient tool for analysis of this type while also taking into account complex effects due to the energy dependency of neutron interaction and single and multiple scattering. Therefore this method provides an efficient tool for precise quantitative analysis using neutron radiography, as for example quantitative determination of moisture distributions in porous buil...