A multi-state fragment charge difference approach for diabatic states in electron transfer: Extension and automation

NASA Astrophysics Data System (ADS)

Yang, Chou-Hsun; Hsu, Chao-Ping

2013-10-01

The electron transfer (ET) rate prediction requires the electronic coupling values. The Generalized Mulliken-Hush (GMH) and Fragment Charge Difference (FCD) schemes have been useful approaches to calculate ET coupling from an excited state calculation. In their typical form, both methods use two eigenstates in forming the target charge-localized diabatic states. For problems involve three or four states, a direct generalization is possible, but it is necessary to pick and assign the locally excited or charge-transfer states involved. In this work, we generalize the 3-state scheme for a multi-state FCD without the need of manual pick or assignment for the states. In this scheme, the diabatic states are obtained separately in the charge-transfer or neutral excited subspaces, defined by their eigenvalues in the fragment charge-difference matrix. In each subspace, the Hamiltonians are diagonalized, and there exist off-diagonal Hamiltonian matrix elements between different subspaces, particularly the charge-transfer and neutral excited diabatic states. The ET coupling values are obtained as the corresponding off-diagonal Hamiltonian matrix elements. A similar multi-state GMH scheme can also be developed. We test the new multi-state schemes for the performance in systems that have been studied using more than two states with FCD or GMH. We found that the multi-state approach yields much better charge-localized states in these systems. We further test for the dependence on the number of state included in the calculation of ET couplings. The final coupling values are converged when the number of state included is increased. In one system where experimental value is available, the multi-state FCD coupling value agrees better with the previous experimental result. We found that the multi-state GMH and FCD are useful when the original two-state approach fails.

MS-CASPT2 study of hole transfer in guanine-indole complexes using the generalized Mulliken-Hush method: effective two-state treatment.

PubMed

Butchosa, C; Simon, S; Blancafort, L; Voityuk, A

2012-07-12

Because hole transfer from nucleobases to amino acid residues in DNA-protein complexes can prevent oxidative damage of DNA in living cells, computational modeling of the process is of high interest. We performed MS-CASPT2 calculations of several model structures of π-stacked guanine and indole and derived electron-transfer (ET) parameters for these systems using the generalized Mulliken-Hush (GMH) method. We show that the two-state model commonly applied to treat thermal ET between adjacent donor and acceptor is of limited use for the considered systems because of the small gap between the ground and first excited states in the indole radical cation. The ET parameters obtained within the two-state GMH scheme can deviate significantly from the corresponding matrix elements of the two-state effective Hamiltonian based on the GMH treatment of three adiabatic states. The computed values of diabatic energies and electronic couplings provide benchmarks to assess the performance of less sophisticated computational methods.

Design of metal cofactors activated by a protein–protein electron transfer system

PubMed Central

Ueno, Takafumi; Yokoi, Norihiko; Unno, Masaki; Matsui, Toshitaka; Tokita, Yuichi; Yamada, Masako; Ikeda-Saito, Masao; Nakajima, Hiroshi; Watanabe, Yoshihito

2006-01-01

Protein-to-protein electron transfer (ET) is a critical process in biological chemistry for which fundamental understanding is expected to provide a wealth of applications in biotechnology. Investigations of protein–protein ET systems in reductive activation of artificial cofactors introduced into proteins remains particularly challenging because of the complexity of interactions between the cofactor and the system contributing to ET. In this work, we construct an artificial protein–protein ET system, using heme oxygenase (HO), which is known to catalyze the conversion of heme to biliverdin. HO uses electrons provided from NADPH/cytochrome P450 reductase (CPR) through protein–protein complex formation during the enzymatic reaction. We report that a FeIII(Schiff-base), in the place of the active-site heme prosthetic group of HO, can be reduced by NADPH/CPR. The crystal structure of the Fe(10-CH2CH2COOH-Schiff-base)·HO composite indicates the presence of a hydrogen bond between the propionic acid carboxyl group and Arg-177 of HO. Furthermore, the ET rate from NADPH/CPR to the composite is 3.5-fold faster than that of Fe(Schiff-base)·HO, although the redox potential of Fe(10-CH2CH2COOH-Schiff-base)·HO (−79 mV vs. NHE) is lower than that of Fe(Schiff-base)·HO (+15 mV vs. NHE), where NHE is normal hydrogen electrode. This work describes a synthetic metal complex activated by means of a protein–protein ET system, which has not previously been reported. Moreover, the result suggests the importance of the hydrogen bond for the ET reaction of HO. Our Fe(Schiff-base)·HO composite model system may provide insights with regard to design of ET biosystems for sensors, catalysts, and electronics devices. PMID:16769893

Single-molecule interfacial electron transfer dynamics in solar energy conversion

NASA Astrophysics Data System (ADS)

Dhital, Bharat

This dissertation work investigated the parameters affecting the interfacial electron transfer (ET) dynamics in dye-semiconductor nanoparticles (NPs) system by using single-molecule fluorescence spectroscopy and imaging combined with electrochemistry. The influence of the molecule-substrate electronic coupling, the molecular structure, binding geometry on the surface and the molecule-attachment surface chemistry on interfacial charge transfer processes was studied on zinc porphyrin-TiO2 NP systems. The fluorescence blinking measurement on TiO2 NP demonstrated that electronic coupling regulates dynamics of charge transfer processes at the interface depending on the conformation of molecule on the surface. Moreover, semiconductor surface charge induced electronic coupling of molecule which is electrostatically adsorbed on the semiconductor surface also predominantly alters the ET dynamics. Furthermore, interfacial electric field and electron accepting state density dependent ET dynamics has been dissected in zinc porphyrin-TiO2 NP system by observing the single-molecule fluorescence blinking dynamics and fluorescence lifetime with and without applied bias. The significant difference in fluorescence fluctuation and lifetime suggested the modulation of charge transfer dynamics at the interface with external electric field perturbation. Quasi-continuous distribution of fluorescence intensity with applied negative potential was attributed to the faster charge recombination due to reduced density of electron accepting states. The driving force and electron accepting state density ET dependent dynamics has also been probed in zinc porphyrin-TiO2 NP and zinc porphyrin-indium tin oxide (ITO) systems. Study of a molecule adsorbed on two different semiconductors (ITO and TiO2), with large difference in electron densities and distinct driving forces, allows us to observe the changes in rates of back electron transfer process reflected by the suppressed fluorescence blinking of molecule on ITO surface. Finally, the electric field effect on the interface properties has been probed by using surface-enhanced Raman spectroscopy and supported by density functional theory calculations in alizarin-TiO2 system. The perturbation, created by the external potential, has been observed to cause a shift and/or splitting interfacial bond vibrational mode, typical indicator of the coupling energy changes between alizarin and TiO2. Such splitting provides evidence for electric field-dependent electronic coupling changes that have a significant impact on the interfacial electron transfer dynamics.

Ab initio quantum chemical study of electron transfer in carboranes

NASA Astrophysics Data System (ADS)

Pati, Ranjit; Pineda, Andrew C.; Pandey, Ravindra; Karna, Shashi P.

2005-05-01

The electron transfer (ET) properties of 10- and 12-vertex carboranes are investigated by the ab initio Hartree-Fock method within the Marcus-Hush (MH) two-state model and the Koopman theorem (KT) approach. The calculated value of the ET coupling matrix element, VAB, is consistently higher in the KT approach than in the MH two-state model. For the carborane molecules functionalized by -CH 2 groups at C-vertices, VAB strongly depends on the relative orientation of the planes containing the terminal -CH 2 groups. The predicted conformation dependence of VAB offers a molecular mechanism to control ET between two active centers in molecular systems.

The effects of spatial heterogeneity and subsurface lateral transfer on evapotranspiration estimates in large scale Earth system models

NASA Astrophysics Data System (ADS)

Rouholahnejad, E.; Fan, Y.; Kirchner, J. W.; Miralles, D. G.

2017-12-01

Most Earth system models (ESM) average over considerable sub-grid heterogeneity in land surface properties, and overlook subsurface lateral flow. This could potentially bias evapotranspiration (ET) estimates and has implications for future temperature predictions, since overestimations in ET imply greater latent heat fluxes and potential underestimation of dry and warm conditions in the context of climate change. Here we quantify the bias in evaporation estimates that may arise from the fact that ESMs average over considerable heterogeneity in surface properties, and also neglect lateral transfer of water across the heterogeneous landscapes at global scale. We use a Budyko framework to express ET as a function of P and PET to derive simple sub-grid closure relations that quantify how spatial heterogeneity and lateral transfer could affect average ET as seen from the atmosphere. We show that averaging over sub-grid heterogeneity in P and PET, as typical Earth system models do, leads to overestimation of average ET. Our analysis at global scale shows that the effects of sub-grid heterogeneity will be most pronounced in steep mountainous areas where the topographic gradient is high and where P is inversely correlated with PET across the landscape. In addition, we use the Total Water Storage (TWS) anomaly estimates from the Gravity Recovery and Climate Experiment (GRACE) remote sensing product and assimilate it into the Global Land Evaporation Amsterdam Model (GLEAM) to correct for existing free drainage lower boundary condition in GLEAM and quantify whether, and how much, accounting for changes in terrestrial storage can improve the simulation of soil moisture and regional ET fluxes at global scale.

Design of triads for probing the direct through space energy transfers in closely spaced assemblies.

PubMed

Camus, Jean-Michel; Aly, Shawkat M; Fortin, Daniel; Guilard, Roger; Harvey, Pierre D

2013-08-05

Using a selective stepwise Suzuki cross-coupling reaction, two trimers built on three different chromophores were prepared. These trimers exhibit a D(^)A1-A2 structure where the donor D (octa-β-alkyl zinc(II)porphyrin either as diethylhexamethyl, 10a, or tetraethyltetramethyl, 10b, derivatives) through space transfers the S1 energy to two different acceptors, di(4-ethylbenzene) zinc(II)porphyrin (A1; acceptor 1) placed cofacial with D, and the corresponding free base (A2; acceptor 2), which is meso-meso-linked with A1. This structure design allows for the possibility of comparing two series of assemblies, 9a,b (D(^)A1) with 10a,b (D(^)Â1-A2), for the evaluation of the S1 energy transfer for the global process D*→A2 in the trimers. From the comparison of the decays of the fluorescence of D, the rates for through space energy transfer, kET for 10a,b (kET ≈ 6.4 × 10(9) (10a), 5.9 × 10(9) s(-1) (10b)), and those for the corresponding cofacial D(^)A1 systems, 9a,b, (kET ≈ 5.0 × 10(9) (9a), 4.7 × 10(9) s(-1) (9b)), provide an estimate for kET for the direct through space D*→A2 process (i.e., kET(D(^)A1-A2) - kET(D(^)A1) = kET(D*→A2) ∼ 1 × 10(9) s(-1)). This channel of relaxation represents ∼15% of kET for D*→A1.

Distributed Wireless Power Transfer With Energy Feedback

NASA Astrophysics Data System (ADS)

Lee, Seunghyun; Zhang, Rui

2017-04-01

Energy beamforming (EB) is a key technique for achieving efficient radio-frequency (RF) transmission enabled wireless energy transfer (WET). By optimally designing the waveforms from multiple energy transmitters (ETs) over the wireless channels, they can be constructively combined at the energy receiver (ER) to achieve an EB gain that scales with the number of ETs. However, the optimal design of EB waveforms requires accurate channel state information (CSI) at the ETs, which is challenging to obtain practically, especially in a distributed system with ETs at separate locations. In this paper, we study practical and efficient channel training methods to achieve optimal EB in a distributed WET system. We propose two protocols with and without centralized coordination, respectively, where distributed ETs either sequentially or in parallel adapt their transmit phases based on a low-complexity energy feedback from the ER. The energy feedback only depends on the received power level at the ER, where each feedback indicates one particular transmit phase that results in the maximum harvested power over a set of previously used phases. Simulation results show that the two proposed training protocols converge very fast in practical WET systems even with a large number of distributed ETs, while the protocol with sequential ET phase adaptation is also analytically shown to converge to the optimal EB design with perfect CSI by increasing the training time. Numerical results are also provided to evaluate the performance of the proposed distributed EB and training designs as compared to other benchmark schemes.

The matrix effect in secondary ion mass spectrometry

NASA Astrophysics Data System (ADS)

Seah, M. P.; Shard, A. G.

2018-05-01

Matrix effects in the secondary ion mass spectrometry (SIMS) of selected elemental systems have been analyzed to investigate the applicability of a mathematical description of the matrix effect, called here the charge transfer (CT) model. This model was originally derived for proton exchange and organic positive secondary ions, to characterise the enhancement or suppression of intensities in organic binary systems. In the systems considered in this paper protons are specifically excluded, which enables an assessment of whether the model applies for electrons as well. The present importance is in organic systems but, here we analyse simpler inorganic systems. Matrix effects in elemental systems cannot involve proton transfer if there are no protons present but may be caused by electron transfer and so electron transfer may also be involved in the matrix effects for organic systems. There are general similarities in both the magnitudes of the ion intensities as well as the matrix effects for both positive and negative secondary ions in both systems and so the CT model may be more widely applicable. Published SIMS analyses of binary elemental mixtures are analyzed. The data of Kim et al., for the Pt/Co system, provide, with good precision, data for such a system. This gives evidence for the applicability of the CT model, where electron, rather than proton, transfer is the matrix enhancing and suppressing mechanism. The published data of Prudon et al., for the important Si/Ge system, provides further evidence for the effects for both positive and negative secondary ions and allows rudimentary rules to be developed for the enhancing and suppressing species.

Electric-field-driven electron-transfer in mixed-valence molecules.

PubMed

Blair, Enrique P; Corcelli, Steven A; Lent, Craig S

2016-07-07

Molecular quantum-dot cellular automata is a computing paradigm in which digital information is encoded by the charge configuration of a mixed-valence molecule. General-purpose computing can be achieved by arranging these compounds on a substrate and exploiting intermolecular Coulombic coupling. The operation of such a device relies on nonequilibrium electron transfer (ET), whereby the time-varying electric field of one molecule induces an ET event in a neighboring molecule. The magnitude of the electric fields can be quite large because of close spatial proximity, and the induced ET rate is a measure of the nonequilibrium response of the molecule. We calculate the electric-field-driven ET rate for a model mixed-valence compound. The mixed-valence molecule is regarded as a two-state electronic system coupled to a molecular vibrational mode, which is, in turn, coupled to a thermal environment. Both the electronic and vibrational degrees-of-freedom are treated quantum mechanically, and the dissipative vibrational-bath interaction is modeled with the Lindblad equation. This approach captures both tunneling and nonadiabatic dynamics. Relationships between microscopic molecular properties and the driven ET rate are explored for two time-dependent applied fields: an abruptly switched field and a linearly ramped field. In both cases, the driven ET rate is only weakly temperature dependent. When the model is applied using parameters appropriate to a specific mixed-valence molecule, diferrocenylacetylene, terahertz-range ET transfer rates are predicted.

Kinetics of conjugative gene transfer on surfaces in granular porous media

NASA Astrophysics Data System (ADS)

Massoudieh, A.; Crain, C.; Lambertini, E.; Nelson, K. E.; Barkouki, T.; L'Amoreaux, P.; Loge, F. J.; Ginn, T. R.

2010-03-01

The transfer of genetic material among bacteria in the environment can occur both in the planktonic and attached state. Given the propensity of organisms to exist in sessile microbial communities in oligotrophic subsurface conditions, and that such conditions typify the subsurface, this study focuses on exploratory modeling of horizontal gene transfer among surface-associated Escherichiacoli in the subsurface. The mathematics so far used to describe the kinetics of conjugation in biofilms are developed largely from experimental observations of planktonic gene transfer, and are absent of lags or plasmid stability that appear experimentally. We develop a model and experimental system to quantify bacterial filtration and gene transfer in the attached state, on granular porous media. We include attachment kinetics described in Nelson et al. (2007) using the filtration theory approach of Nelson and Ginn (2001, 2005) with motility of E. coli described according to Biondi et al. (1998).

Cryogenic Fluid Management Facility

NASA Technical Reports Server (NTRS)

Eberhardt, R. N.; Bailey, W. J.

1985-01-01

The Cryogenic Fluid Management Facility is a reusable test bed which is designed to be carried within the Shuttle cargo bay to investigate the systems and technologies associated with the efficient management of cryogens in space. Cryogenic fluid management consists of the systems and technologies for: (1) liquid storage and supply, including capillary acquisition/expulsion systems which provide single-phase liquid to the user system, (2) both passive and active thermal control systems, and (3) fluid transfer/resupply systems, including transfer lines and receiver tanks. The facility contains a storage and supply tank, a transfer line and a receiver tank, configured to provide low-g verification of fluid and thermal models of cryogenic storage and transfer processes. The facility will provide design data and criteria for future subcritical cryogenic storage and transfer system applications, such as Space Station life support, attitude control, power and fuel depot supply, resupply tankers, external tank (ET) propellant scavenging, and ground-based and space-based orbit transfer vehicles (OTV).

Protein control of true, gated, and coupled electron transfer reactions.

PubMed

Davidson, Victor L

2008-06-01

Electron transfer (ET) through and between proteins is a fundamental biological process. The rates of ET depend upon the thermodynamic driving force, the reorganization energy, and the degree of electronic coupling between the reactant and product states. The analysis of protein ET reactions is complicated by the fact that non-ET processes might influence the observed ET rate in kinetically complex biological systems. This Account describes studies of the methylamine dehydrogenase-amicyanin-cytochrome c-551i protein ET complex that have revealed the influence of several features of the protein structure on the magnitudes of the physical parameters for true ET reactions and how they dictate the kinetic mechanisms of non-ET processes that sometimes influence protein ET reactions. Kinetic and thermodynamic studies, coupled with structural information and biochemical data, are necessary to fully describe the ET reactions of proteins. Site-directed mutagenesis can be used to elucidate specific structure-function relationships. When mutations selectively alter the electronic coupling, reorganization energy, or driving force for the ET reaction, it becomes possible to use the parameters of the ET process to determine how specific amino acid residues and other features of the protein structure influence the ET rates. When mutations alter the kinetic mechanism for ET, one can determine the mechanisms by which non-ET processes, such as protein conformational changes or proton transfers, control the rates of ET reactions and how specific amino acid residues and certain features of the protein structure influence these non-ET reactions. A complete description of the mechanism of regulation of biological ET reactions enhances our understanding of metabolism, respiration, and photosynthesis at the molecular level. Such information has important medical relevance. Defective protein ET leads to production of the reactive oxygen species and free radicals that are associated with aging and many disease states. Defective ET within the respiratory chain also causes certain mitochondrial myopathies. An understanding of the mechanisms of regulation of protein ET is also of practical value because it provides a logical basis for the design of applications utilizing redox enzymes, such as enzyme-based electrode sensors and fuel cells.

Does the Presence of Blood in the Catheter or the Degree of Difficulty of Embryo Transfer Affect Live Birth?

PubMed

Plowden, Torie C; Hill, Micah J; Miles, Shana M; Hoyt, Benjamin; Yauger, Belinda; Segars, James H; Csokmay, John M; Chason, Rebecca J

2017-05-01

The technique used for embryo transfer (ET) can affect implantation. Prior research that evaluated the effect of postprocedural blood of the transfer catheter tip have yielded mixed results, and it is unclear whether this is actually a marker of difficulty of the transfer. Our objective was to estimate the effect of blood at the time of ET and the difficulty of ET on live birth rates (LBR). This retrospective cohort study utilized generalized estimating equations (GEEs) with nesting for repeated cycles for all analyses. Univariate modeling was performed and a final multivariate (adjusted) GEE model accounted for all significant confounders. Embryo transfers were subjectively graded (easy, medium, or hard) by a physician at the time of transfer. The presence of blood at ET was associated with more difficult ETs, retained embryos, and presence of mucous in the catheter. In the univariate analysis, ET with blood was not associated with live birth, while the degree of difficulty for ET had a negative impact on LBR. In the final multivariate GEE model, which accounts for repeated cycles from a patient, the only factors associated with an increased LBR were the degree of difficulty of the ET, female age, and blastocyst transfer. After controlling for confounding variables, the presence of blood in the transfer catheter was not associated with the likelihood of pregnancy and thus was not an independent predictor of cycle outcome. This indicates that the difficulty of the transfer itself was a strong negative predictor of pregnancy.

Electric-field-driven electron-transfer in mixed-valence molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blair, Enrique P., E-mail: enrique-blair@baylor.edu; Corcelli, Steven A., E-mail: scorcell@nd.edu; Lent, Craig S., E-mail: lent@nd.edu

2016-07-07

Molecular quantum-dot cellular automata is a computing paradigm in which digital information is encoded by the charge configuration of a mixed-valence molecule. General-purpose computing can be achieved by arranging these compounds on a substrate and exploiting intermolecular Coulombic coupling. The operation of such a device relies on nonequilibrium electron transfer (ET), whereby the time-varying electric field of one molecule induces an ET event in a neighboring molecule. The magnitude of the electric fields can be quite large because of close spatial proximity, and the induced ET rate is a measure of the nonequilibrium response of the molecule. We calculate themore » electric-field-driven ET rate for a model mixed-valence compound. The mixed-valence molecule is regarded as a two-state electronic system coupled to a molecular vibrational mode, which is, in turn, coupled to a thermal environment. Both the electronic and vibrational degrees-of-freedom are treated quantum mechanically, and the dissipative vibrational-bath interaction is modeled with the Lindblad equation. This approach captures both tunneling and nonadiabatic dynamics. Relationships between microscopic molecular properties and the driven ET rate are explored for two time-dependent applied fields: an abruptly switched field and a linearly ramped field. In both cases, the driven ET rate is only weakly temperature dependent. When the model is applied using parameters appropriate to a specific mixed-valence molecule, diferrocenylacetylene, terahertz-range ET transfer rates are predicted.« less

A framework for stochastic simulations and visualization of biological electron-transfer dynamics

NASA Astrophysics Data System (ADS)

Nakano, C. Masato; Byun, Hye Suk; Ma, Heng; Wei, Tao; El-Naggar, Mohamed Y.

2015-08-01

Electron transfer (ET) dictates a wide variety of energy-conversion processes in biological systems. Visualizing ET dynamics could provide key insight into understanding and possibly controlling these processes. We present a computational framework named VizBET to visualize biological ET dynamics, using an outer-membrane Mtr-Omc cytochrome complex in Shewanella oneidensis MR-1 as an example. Starting from X-ray crystal structures of the constituent cytochromes, molecular dynamics simulations are combined with homology modeling, protein docking, and binding free energy computations to sample the configuration of the complex as well as the change of the free energy associated with ET. This information, along with quantum-mechanical calculations of the electronic coupling, provides inputs to kinetic Monte Carlo (KMC) simulations of ET dynamics in a network of heme groups within the complex. Visualization of the KMC simulation results has been implemented as a plugin to the Visual Molecular Dynamics (VMD) software. VizBET has been used to reveal the nature of ET dynamics associated with novel nonequilibrium phase transitions in a candidate configuration of the Mtr-Omc complex due to electron-electron interactions.

Estimates of electronic coupling for excess electron transfer in DNA

NASA Astrophysics Data System (ADS)

Voityuk, Alexander A.

2005-07-01

Electronic coupling Vda is one of the key parameters that determine the rate of charge transfer through DNA. While there have been several computational studies of Vda for hole transfer, estimates of electronic couplings for excess electron transfer (ET) in DNA remain unavailable. In the paper, an efficient strategy is established for calculating the ET matrix elements between base pairs in a π stack. Two approaches are considered. First, we employ the diabatic-state (DS) method in which donor and acceptor are represented with radical anions of the canonical base pairs adenine-thymine (AT) and guanine-cytosine (GC). In this approach, similar values of Vda are obtained with the standard 6-31G* and extended 6-31++G** basis sets. Second, the electronic couplings are derived from lowest unoccupied molecular orbitals (LUMOs) of neutral systems by using the generalized Mulliken-Hush or fragment charge methods. Because the radical-anion states of AT and GC are well reproduced by LUMOs of the neutral base pairs calculated without diffuse functions, the estimated values of Vda are in good agreement with the couplings obtained for radical-anion states using the DS method. However, when the calculation of a neutral stack is carried out with diffuse functions, LUMOs of the system exhibit the dipole-bound character and cannot be used for estimating electronic couplings. Our calculations suggest that the ET matrix elements Vda for models containing intrastrand thymine and cytosine bases are essentially larger than the couplings in complexes with interstrand pyrimidine bases. The matrix elements for excess electron transfer are found to be considerably smaller than the corresponding values for hole transfer and to be very responsive to structural changes in a DNA stack.

Characterization of the free energy dependence of an interprotein electron transfer reaction by variation of pH and site-directed mutagenesis.

PubMed

Dow, Brian A; Davidson, Victor L

2015-10-01

The interprotein electron transfer (ET) reactions of the cupredoxin amicyanin, which mediates ET from the tryptophan tryptophylquinone (TTQ) cofactor of methylamine dehydrogenase to cytochrome c-551i have been extensively studied. However, it was not possible to perform certain key experiments in that native system. This study examines the ET reaction from reduced amicyanin to an alternative electron acceptor, the diheme protein MauG. It was possible to vary the ΔG° for this ET reaction by simply changing pH to determine the dependence of kET on ΔG°. A P94A mutation of amicyanin significantly altered its oxidation-reduction midpoint potential value. It was not possible to study the ET from reduced P94A amicyanin to cytochrome c-551i in the native system because that reaction was kinetically coupled. However, the reaction from reduced P94A amicyanin to MauG was a true ET reaction and it was possible to determine values of reorganization energy (λ) and electronic coupling for the reactions of this variant as well as native amicyanin. Comparison of the λ values associated with the ET reactions between amicyanin and the TTQ of methylamine dehydrogenase, the diheme center of MauG and the single heme of cytochrome c-551i, provides insight into the factors that dictate the λ values for the respective reactions. These results demonstrate how study of ET reactions with alternative redox partner proteins can complement and enhance our understanding of the reactions with the natural redox partners, and further our understanding of mechanisms of protein ET reactions. Copyright © 2015 Elsevier B.V. All rights reserved.

Introducing Students to Inner Sphere Electron Transfer Concepts through Electrochemistry Studies in Diferrocene Mixed-Valence Systems

ERIC Educational Resources Information Center

Ventura, Karen; Smith, Mark B.; Prat, Jacob R.; Echegoyen, Lourdes E.; Villagran´, Dino

2017-01-01

We have designed a 4 h physical chemistry laboratory to introduce upper division students to electrochemistry concepts, including mixed valency and electron transfer (ET), using cyclic and differential pulse voltammetries. In this laboratory practice, students use a ferrocene dimer consisting of two ferrocene centers covalently bonded through a…

Carbon Burial at the Land Ocean Interface: Climate vs Human Drivers

NASA Astrophysics Data System (ADS)

Bianchi, T. S.; Smeaton, C.; Cui, X.; Howe, J. A.; Austin, W.

2017-12-01

Fjords are connectors between the terrestrial and marine systems and are known as globally significant hotspots for the burial (Smith et al., 2014) and long-term storage (Smeaton et al., 2016) of carbon (C). The glacial geomorphology of fjords and their catchment results in the terrestrial and marine environments being strongly coupled more so than other estuary types. The clearest example of this is the terrestrial C subsidy to these sediment, it is estimated that globally 55-62% of C held in fjord sediments are terrestrially derived (Cui et al., 2016). Yet it is largely unknown how climatic and human forcing drives the transfer of terrestrial C to marine sediments. Here we, examine the role of late Holocene climate and human activity on the transfer of C from the terrestrial to marine environment along the North Atlantic Margin. Loch Sunart a Scottish fjord sits at the land ocean interface of the North Atlantic. The catchment of the fjord has been shown to be sensitive to local and regional climatic change (Gillibrand et al., 2005) and the fjord sediments have been able to record these changes in Climate (Cage and Austin, 2010). Using a long (22 m) sedimentary record we discuss our understanding of mid to late Holocene regional climate and its impact on terrestrial C transfer to the coastal ocean. Alongside this we examine the role of humans on the landscape and their impact on the transfer of terrestrial C on the coastal ocean. The results from this study will further our understanding of the long-term drivers of terrestrial C transfer to the coastal ocean. Potentially this research provides insights on future C transfers under a changing future climate allowing the importance of fjords as a climate regulation service to be reassessed.

Embryo transfer simulation improves pregnancy rates and decreases time to proficiency in Reproductive Endocrinology and Infertility fellow embryo transfers.

PubMed

Heitmann, Ryan J; Hill, Micah J; Csokmay, John M; Pilgrim, Justin; DeCherney, Alan H; Deering, Shad

2017-05-01

To design and evaluate an ET simulator to train Reproductive Endocrinology and Infertility (REI) fellows' techniques of ET. Simulation model development and retrospective cohort analysis. Not applicable. Patients undergoing IVF. Simulation model evaluation and implementation of ET simulation training. Pregnancy rates. The REI fellow and faculty evaluation responses (n = 19/21 [90%]) of the model demonstrated realistic characteristics, with evaluators concluding the model was suitable for training in almost all evaluated areas. A total of 12 REI fellows who performed ET were analyzed: 6 before ET trainer and 6 after ET trainer. Pregnancy rates were 31% in the initial 10 ETs per fellow before simulator vs. 46% after simulator. One of six pre-ET trainer fellows (17%) had pregnancy rates ≥40% in their first 10 ETs; whereas four of six post-ET trainer fellows had pregnancy rates ≥40% in their first 10 ETs. The average number of ETs to obtain >40% pregnancy efficiency was 27 ETs before trainer vs. 15 ETs after trainer. Pregnancy rates were similar in the two groups after 20 ETs, and collective terminal pregnancy rates were >50% after 40 ETs. Embryo transfer simulation improved REI fellow pregnancy rates in their first 10 transfers and led to a more rapid ET proficiency. These data suggest potential value in adopting ET simulation, even in programs with a robust history of live ET in fellowship training. Published by Elsevier Inc.

Ag colloids and arrays for plasmonic non-radiative energy transfer from quantum dots to a quantum well

NASA Astrophysics Data System (ADS)

Murphy, Graham P.; Gough, John J.; Higgins, Luke J.; Karanikolas, Vasilios D.; Wilson, Keith M.; Garcia Coindreau, Jorge A.; Zubialevich, Vitaly Z.; Parbrook, Peter J.; Bradley, A. Louise

2017-03-01

Non-radiative energy transfer (NRET) can be an efficient process of benefit to many applications including photovoltaics, sensors, light emitting diodes and photodetectors. Combining the remarkable optical properties of quantum dots (QDs) with the electrical properties of quantum wells (QWs) allows for the formation of hybrid devices which can utilize NRET as a means of transferring absorbed optical energy from the QDs to the QW. Here we report on plasmon-enhanced NRET from semiconductor nanocrystal QDs to a QW. Ag nanoparticles in the form of colloids and ordered arrays are used to demonstrate plasmon-mediated NRET from QDs to QWs with varying top barrier thicknesses. Plasmon-mediated energy transfer (ET) efficiencies of up to ˜25% are observed with the Ag colloids. The distance dependence of the plasmon-mediated ET is found to follow the same d -4 dependence as the direct QD to QW ET. There is also evidence for an increase in the characteristic distance of the interaction, thus indicating that it follows a Förster-like model with the Ag nanoparticle-QD acting as an enhanced donor dipole. Ordered Ag nanoparticle arrays display plasmon-mediated ET efficiencies up to ˜21%. To explore the tunability of the array system, two arrays with different geometries are presented. It is demonstrated that changing the geometry of the array allows a transition from overall quenching of the acceptor QW emission to enhancement, as well as control of the competition between the QD donor quenching and ET rates.

Spin and Magnetism: Two Transfer Matrix Formulations of a Classical Heisenberg Ring in a Magnetic Field.

DTIC Science & Technology

1998-06-01

determination of the partition function could be attempted. According to Gatteschi et al, however, [Ref. 15] when commenting on the quantum mechanical...1995 15. Gatteschi , D. et al, "Large Clusters of Metal Ions: The Transition from Molecular to Bulk Magnets" Science vol. 265, pp. 1054-1058, August... Gatteschi , D. et al, "Spin Dynamics in Mesoscopic Size Magnetic Systems... ", Phys. Rev. B, vol. 55, no. 21, 01 June, 1997 18. Tejeda, J. etal, "Quantum

Photoinduced electron transfer of oxazine 1/TiO2 nanoparticles at single molecule level by using confocal fluorescence microscopy.

PubMed

Chen, Yi-Ju; Tzeng, Hsin-Yu; Fan, Hsiu-Fang; Chen, Ming-Shiang; Huang, Jer-Shing; Lin, King-Chuen

2010-06-01

Kinetics of photoinduced electron transfer (ET) from oxazine 1 dye to TiO(2) nanoparticles (NPs) surface is studied at a single molecule level by using confocal fluorescence microscopy. Upon irradiation with a pulsed laser at 630 nm, the fluorescence lifetimes sampled among 100 different dye molecules are determined to yield an average lifetime of 2.9 +/- 0.3 ns, which is close to the value of 3.0 +/- 0.6 ns measured on the bare coverslip. The lifetime proximity suggests that most interfacial electron transfer (IFET) processes for the current system are inefficient, probably caused by physisorption between dye and the TiO(2) film. However, there might exist some molecules which are quenched before fluorescing and fail to be detected. With the aid of autocorrelation analysis under a three-level energy system, the IFET kinetics of single dye molecules in the conduction band of TiO(2) NPs is evaluated to be (1.0 +/- 0.1) x 10(4) s(-1) averaged over 100 single molecules and the back ET rate constant is 4.7 +/- 0.9 s(-1). When a thicker TiO(2) film is substituted, the resultant kinetic data do not make a significant difference. The trend of IFET efficacy agrees with the method of fluorescence lifetime measurements. The obtained forward ET rate constants are about ten times smaller than the photovoltage response measured in an assembled dye-sensitized solar cell. The discrepancy is discussed. The inhomogeneous and fluctuation characters for the IFET process are attributed to microenvironment variation for each single molecule. The obtained ET rates are much slower than the fluorescence relaxation. Such a small ET quantum yield is yet feasibly detectable at a single molecule level.

Gas flows in S-E binary systems of galaxies

NASA Technical Reports Server (NTRS)

Sotnikova, N. YA.

1990-01-01

Tidal interaction between the galaxies in binary systems leads to important consequences. Some peculiarities in galactic morphology as well as the transfer of matter from one galaxy to another may be due to this factor. In particular, gas flows in intergalactic space may be formed. Such flows enriching one component with gas from the other may play a substantial role in the evolution of mixed (S-E) pairs. One can mention several facts corroborating the possibility of the gas transfer from the spiral to the elliptical galaxy. High HI content (10(exp 7) to 10(exp 9) solar mass) is detected in nearly 40 E galaxies (Bottinelli and Gougenheim, 1979; Knapp et al., 1985). Such galaxies are often members of pairs or of multiple systems including an S galaxy, which may be the source of gas (Smirnov and Komberg, 1980). Moreover, the gas kinematics and its distribution also indicate an external origin for this gas (Knapp et al., 1985). In many cases there is an outer gaseous disk. The directions of the disk and of stellar rotation don't always coincide (van Gorkom et al., 1985; Varnas et al., 1987). The galaxy colors in S-E pairs are correlated (the Holmberg effect): bluer ellipticals have spiral components that are usually bluer (Demin et al., 1984). The fraction of E galaxies with emission lines (N sub em) in S-E pairs showing traces of tidal interaction is twice as large (N sub em approx. equals 0.24) as in pairs without interaction (N sub em approx. equals 0.12) (Sotnikova, 1988b). Since the presence of emission lines in a galaxy spectrum strongly depends on gas content, this fact also leads to the conclusion that ellipticals in interacting S-E pairs are enriched with gas. These facts may be considered as a serious indication of the existence of gas transfer. Hence, investigation of this process is of interest.

Reply to the comment by Wu et al. (2016) on "Behavior of Re and Os during contact between an aqueous solution and oil: Consequences for the application of the Re-Os geochronometer to petroleum" [Geochim. Cosmochim. Acta 158 (2015) 1-21

NASA Astrophysics Data System (ADS)

Reisberg, Laurie; Michels, Raymond; Mahdaoui, Fatima

2016-08-01

We reply here to the questions raised by Wu et al. concerning the results published by Mahdaoui et al. (2015). This paper describes experiments in which aqueous solutions containing ReO4- and OsCl62- were brought in contact with natural oils at various ranges of concentration, time and temperature. The main observation is that the transfer of Re and Os to oils is very efficient under all experimental conditions. Wu et al. argue that thermodynamic equilibrium was not achieved in these experiments as apparent partition coefficients are inconsistent. They conclude that the experiments were flawed by possible leaking of reactors and that the conclusions by Mahdaoui et al. (2015) were not justified. In the following reply we explain that Mahdaoui et al. (2015) never claimed that thermodynamic equilibrium was achieved. Any calculations or considerations in this context are therefore meaningless. We recall the objectives of our publication, which were to experimentally test the behavior of ReO4- and OsCl6- (two plausible chemical forms of Re and Os in deep aquifers of petroleum systems) in aqueous solution-oil systems. To our knowledge these are the first experiments of their kind. The parameters that could influence the precision and reproducibility of our results were discussed in detail in Mahdaoui et al. (2015). The essential point is that all 60 of the experiments provide evidence of substantial transfer of Re and Os from water to oil. In contrast to what was mistakenly understood by Wu et al., the paper does not challenge the use of Re-Os to date geological events affecting petroleum. Instead, by providing a mechanism that might allow Os isotopic homogenization on a basin-wide scale, a critical step missing from most current models, it offers a possible explanation of how Re-Os geochronology in oils could potentially work. More generally, our study suggests that transfer of Re and Os from waters to oil may be an important phenomenon that should not be overlooked.

Golden rule kinetics of transfer reactions in condensed phase: The microscopic model of electron transfer reactions in disordered solid matrices

NASA Astrophysics Data System (ADS)

Basilevsky, M. V.; Odinokov, A. V.; Titov, S. V.; Mitina, E. A.

2013-12-01

The algorithm for a theoretical calculation of transfer reaction rates for light quantum particles (i.e., the electron and H-atom transfers) in non-polar solid matrices is formulated and justified. The mechanism postulated involves a local mode (an either intra- or inter-molecular one) serving as a mediator which accomplishes the energy exchange between the reacting high-frequency quantum mode and the phonon modes belonging to the environment. This approach uses as a background the Fermi golden rule beyond the usually applied spin-boson approximation. The dynamical treatment rests on the one-dimensional version of the standard quantum relaxation equation for the reduced density matrix, which describes the frequency fluctuation spectrum for the local mode under consideration. The temperature dependence of a reaction rate is controlled by the dimensionless parameter ξ0 = ℏω0/kBT where ω0 is the frequency of the local mode and T is the temperature. The realization of the computational scheme is different for the high/intermediate (ξ0 < 1 - 3) and for low (ξ0 ≫ 1) temperature ranges. For the first (quasi-classical) kinetic regime, the Redfield approximation to the solution of the relaxation equation proved to be sufficient and efficient in practical applications. The study of the essentially quantum-mechanical low-temperature kinetic regime in its asymptotic limit requires the implementation of the exact relaxation equation. The coherent mechanism providing a non-vanishing reaction rate has been revealed when T → 0. An accurate computational methodology for the cross-over kinetic regime needs a further elaboration. The original model of the hopping mechanism for electronic conduction in photosensitive organic materials is considered, based on the above techniques. The electron transfer (ET) in active centers of such systems proceeds via local intra- and intermolecular modes. The active modes, as a rule, operate beyond the kinetic regimes, which are usually postulated in the existing theories of the ET. Our alternative dynamic ET model for local modes immersed in the continuum harmonic medium is formulated for both classical and quantum regimes, and accounts explicitly for the mode/medium interaction. The kinetics of the energy exchange between the local ET subsystem and the surrounding environment essentially determine the total ET rate. The efficient computer code for rate computations is elaborated on. The computations are available for a wide range of system parameters, such as the temperature, external field, local mode frequency, and characteristics of mode/medium interaction. The relation of the present approach to the Marcus ET theory and to the quantum-statistical reaction rate theory [V. G. Levich and R. R. Dogonadze, Dokl. Akad. Nauk SSSR, Ser. Fiz. Khim. 124, 213 (1959); J. Ulstrup, Charge Transfer in Condensed Media (Springer, Berlin, 1979); M. Bixon and J. Jortner, Adv. Chem. Phys. 106, 35 (1999)] underlying it is discussed and illustrated by the results of computations for practically important target systems.

Golden rule kinetics of transfer reactions in condensed phase: the microscopic model of electron transfer reactions in disordered solid matrices.

PubMed

Basilevsky, M V; Odinokov, A V; Titov, S V; Mitina, E A

2013-12-21

The algorithm for a theoretical calculation of transfer reaction rates for light quantum particles (i.e., the electron and H-atom transfers) in non-polar solid matrices is formulated and justified. The mechanism postulated involves a local mode (an either intra- or inter-molecular one) serving as a mediator which accomplishes the energy exchange between the reacting high-frequency quantum mode and the phonon modes belonging to the environment. This approach uses as a background the Fermi golden rule beyond the usually applied spin-boson approximation. The dynamical treatment rests on the one-dimensional version of the standard quantum relaxation equation for the reduced density matrix, which describes the frequency fluctuation spectrum for the local mode under consideration. The temperature dependence of a reaction rate is controlled by the dimensionless parameter ξ0 = ℏω0/k(B)T where ω0 is the frequency of the local mode and T is the temperature. The realization of the computational scheme is different for the high/intermediate (ξ0 < 1 - 3) and for low (ξ0 ≫ 1) temperature ranges. For the first (quasi-classical) kinetic regime, the Redfield approximation to the solution of the relaxation equation proved to be sufficient and efficient in practical applications. The study of the essentially quantum-mechanical low-temperature kinetic regime in its asymptotic limit requires the implementation of the exact relaxation equation. The coherent mechanism providing a non-vanishing reaction rate has been revealed when T → 0. An accurate computational methodology for the cross-over kinetic regime needs a further elaboration. The original model of the hopping mechanism for electronic conduction in photosensitive organic materials is considered, based on the above techniques. The electron transfer (ET) in active centers of such systems proceeds via local intra- and intermolecular modes. The active modes, as a rule, operate beyond the kinetic regimes, which are usually postulated in the existing theories of the ET. Our alternative dynamic ET model for local modes immersed in the continuum harmonic medium is formulated for both classical and quantum regimes, and accounts explicitly for the mode∕medium interaction. The kinetics of the energy exchange between the local ET subsystem and the surrounding environment essentially determine the total ET rate. The efficient computer code for rate computations is elaborated on. The computations are available for a wide range of system parameters, such as the temperature, external field, local mode frequency, and characteristics of mode/medium interaction. The relation of the present approach to the Marcus ET theory and to the quantum-statistical reaction rate theory [V. G. Levich and R. R. Dogonadze, Dokl. Akad. Nauk SSSR, Ser. Fiz. Khim. 124, 213 (1959); J. Ulstrup, Charge Transfer in Condensed Media (Springer, Berlin, 1979); M. Bixon and J. Jortner, Adv. Chem. Phys. 106, 35 (1999)] underlying it is discussed and illustrated by the results of computations for practically important target systems.

Space Transportation System (STS) propellant scavenging system study. Volume 1: Technical report

NASA Technical Reports Server (NTRS)

1985-01-01

The objectives are to define the most efficient and cost effective methods for scavenging cryogenic and storable propellants and then define the requirements for these scavenging systems. For cryogenic propellants, scavenging is the transfer of propellants from the Shuttle orbiter external tank (ET) and/or main propulsion subsystems (MPS) propellant lines into storage tanks located in the orbiter payload bay for delivery to the user station by a space based transfer stage or the Space Transportation System (STS) by direct insertion. For storable propellants, scavenging is the direct transfer from the orbital maneuvering subsystem (OMS) and/or tankage in the payload bay to users in LEO as well as users in the vicinity of the Space Station.

Community Radiative Transfer Model for Satellite Radiance Simulation

NASA Astrophysics Data System (ADS)

Liu, Q.; Han, Y.; Chen, Y.; van Delst, P.; Weng, F.

2007-12-01

The Community Radiative Transfer Model (CRTM) [Weng et al., 2005], developed at U.S. Joint Center for Satellite Data Assimilation (JCSDA), has been used for the satellite radiance simulation and the radiance derivatives to the surface/atmospheric parameters in the physical retrieval [Boukabara et al., 2007], data assimilation [Le Marshall et al., 2006] and many others [Han et al., 2006; Liu and Weng, 2006]. CRTM has been become a key component in U.S. data assimilation at the National Center for Environmental Prediction (NCEP) [Okamoto and. Derber, 2006]. It is a core engine for NOAA/NESDIS Microwave Integrated Retrieval System (MIRS) [Boukabara et al., 2007]. The CRTM has also been implemented into Weather Research Forecasting (WRF) model. The CRTM is known as modular program development [van Delst et al., 2006], which breaks down the radiative transfer model into components, each of which is encapsulated in one or several program modules and can be developed independently of the others. The key components of the CRTM are the advanced surface emissivity and reflectivity models [van Delst and Wu, 2000; English 1999; Weng et al. 2001] including a polarimetric surface emissivity model [Liu and Weng, 2003], the fast Optical Path Transmittance (OPTRAN) model [Xiong et al., 2006], the cloud absorption/scattering look-up tables [Yang et al., 2000], and the advanced radiative solver [Liu and Weng, 2006]. The CRTM can also compute aerosol radiance. The CRTM can deal with Zeeman splitting effect, the energy received in the channels for the stratosphere and mesosphere depends strongly on the geomagnetic field and its orientation with respect to the direction of observation [Han et al., 2007]. We will also present the applications of the CRTM in hurricane detection and forecasting, in the determination of stratospheric temperature, a key contributing factor to photochemical ozone depletion, and in reanalysis and climate studies.

Electron Transfer Dissociation: Effects of Cation Charge State on Product Partitioning in Ion/Ion Electron Transfer to Multiply Protonated Polypeptides

PubMed Central

Liu, Jian; McLuckey, Scott A.

2012-01-01

The effect of cation charge state on product partitioning in the gas-phase ion/ion electron transfer reactions of multiply protonated tryptic peptides, model peptides, and relatively large peptides with singly charged radical anions has been examined. In particular, partitioning into various competing channels, such as proton transfer (PT) versus electron transfer (ET), electron transfer with subsequent dissociation (ETD) versus electron transfer with no dissociation (ET,noD), and fragmentation of backbone bonds versus fragmentation of side chains, was measured quantitatively as a function of peptide charge state to allow insights to be drawn about the fundamental aspects of ion/ion reactions that lead to ETD. The ET channel increases relative to the PT channel, ETD increases relative to ET,noD, and fragmentation at backbone bonds increases relative to side-chain cleavages as cation charge state increases. The increase in ET versus PT with charge state is consistent with a Landau-Zener based curve-crossing model. An optimum charge state for ET is predicted by the model for the ground state-to-ground state reaction. However, when the population of excited product ion states is considered, it is possible that a decrease in ET efficiency as charge state increases will not be observed due to the possibility of the population of excited electronic states of the products. Several factors can contribute to the increase in ETD versus ET,noD and backbone cleavage versus side-chain losses. These factors include an increase in reaction exothermicity and charge state dependent differences in precursor and product ion structures, stabilities, and sites of protonation. PMID:23264749

Single-Molecule Interfacial Electron Transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ho, Wilson

Interfacial electron transfer (ET) plays an important role in many chemical and biological processes. Specifically, interfacial ET in TiO 2-based systems is important to solar energy technology, catalysis, and environmental remediation technology. However, the microscopic mechanism of interfacial ET is not well understood with regard to atomic surface structure, molecular structure, bonding, orientation, and motion. In this project, we used two complementary methodologies; single-molecule fluorescence spectroscopy, and scanning-tunneling microscopy and spectroscopy (STM and STS) to address this scientific need. The goal of this project was to integrate these techniques and measure the molecular dependence of ET between adsorbed molecules andmore » TiO 2 semiconductor surfaces and the ET induced reactions such as the splitting of water. The scanning probe techniques, STM and STS, are capable of providing the highest spatial resolution but not easily time-resolved data. Single-molecule fluorescence spectroscopy is capable of good time resolution but requires further development to match the spatial resolution of the STM. The integrated approach involving Peter Lu at Bowling Green State University (BGSU) and Wilson Ho at the University of California, Irvine (UC Irvine) produced methods for time and spatially resolved chemical imaging of interfacial electron transfer dynamics and photocatalytic reactions. An integral aspect of the joint research was a significant exchange of graduate students to work at the two institutions. This project bridged complementary approaches to investigate a set of common problems by working with the same molecules on a variety of solid surfaces, but using appropriate techniques to probe under ambient (BGSU) and ultrahigh vacuum (UCI) conditions. The molecular level understanding of the fundamental interfacial electron transfer processes obtained in this joint project will be important for developing efficient light harvesting, solar energy conversion, and broadly applicable to problems in interface chemistry and surface physics.« less

Non-conjugated, phenyl assisted coupling in through bond electron transfer in a perylenemonoimide-triphenylamine system.

PubMed

Bell, Toby D M; Stefan, Alina; Lemaur, Vincent; Bernhardt, Stefan; Müllen, Klaus; Cornil, Jérôme; Beljonne, David; Hofkens, Johan; Van der Auweraer, Mark; De Schryver, Frans C

2007-04-01

Two donor-bridge-acceptor compounds containing triphenylamine (TPA) donors and perylenemonoimide (PMI) acceptors have been studied by spectroscopic techniques and quantum chemical computation. Both systems have been observed to emit prompt and delayed fluorescence under certain conditions indicating that forward and reverse electron transfer (ET) processes can occur between the locally excited and the charge separated states. The experimental and computational results show that the TPA and PMI chromophores are better coupled by almost 50% in the meta isomers which undergo ET more readily than the para isomers. Quantum chemical calculations indicate that this unexpected situation is the result of a phenyl group on the side of the bridge being advantageously positioned in the meta isomers. This leads to more extensive delocalisation of the TPA HOMO into the bridge enhancing the total through bond electronic coupling between the TPA and PMI chromophores. The calculations also indicate a strong angle dependence of the total coupling in both isomers. The experimental results are discussed in the context of the high temperature limit of Marcus's theory of non-adiabatic ET.

Effects of mass transfer between Martian satellites on surface geology

DTIC Science & Technology

2015-12-21

University Affiliated Research Center (UARC). Thanks to Bill Folkner (JPL/Caltech) for high-fidelity long-term Phobos/Deimos SPICE orbit propagations, and...created by JPL/Caltech to SPICE ephemeris information from NASA’s Navigation and Ancillary Information Facility (naif.jpl.nasa.gov) (Acton et al., 2002...References Acton, C. et al., 2002. Extending NASA’s SPICE ancillary information system to meet future mission needs. In: 2002 AIAA Space Operations

Mapping Evapotranspiration Units in the Basin and Range Carbonate-Rock Aquifer System, White Pine County, Nevada, and Adjacent Areas in Nevada and Utah

USGS Publications Warehouse

Smith, J. LaRue; Laczniak, Randell J.; Moreo, Michael T.; Welborn, Toby L.

2007-01-01

Accurate estimates of ground-water discharge are crucial in the development of a water budget for the Basin and Range carbonate-rock aquifer system study area. One common method used throughout the southwestern United States is to estimate ground-water discharge from evapotranspiration (ET). ET is a process by which water from the Earth's surface is transferred to the atmosphere. The volume of water lost to the atmosphere by ET can be computed as the product of the ET rate and the acreage of vegetation, open water, and moist soil through which ET occurs. The procedure used in the study groups areas of similar vegetation, water, and soil conditions into different ET units, assigns an average annual ET rate to each unit, and computes annual ET from each ET unit within the outer extent of potential areas of ground-water discharge. Data sets and the procedures used to delineate the ET-unit map used to estimate ground-water discharge from the study area and a qualitative assessment of the accuracy of the map are described in this report.

12 CFR 205.1 - Authority and purpose.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 12 Banks and Banking 2 2011-01-01 2011-01-01 false Authority and purpose. 205.1 Section 205.1 Banks and Banking FEDERAL RESERVE SYSTEM BOARD OF GOVERNORS OF THE FEDERAL RESERVE SYSTEM ELECTRONIC... Electronic Fund Transfer Act (15 U.S.C. 1693 et seq.). The information-collection requirements have been...

12 CFR 205.1 - Authority and purpose.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 12 Banks and Banking 2 2010-01-01 2010-01-01 false Authority and purpose. 205.1 Section 205.1 Banks and Banking FEDERAL RESERVE SYSTEM BOARD OF GOVERNORS OF THE FEDERAL RESERVE SYSTEM ELECTRONIC... Electronic Fund Transfer Act (15 U.S.C. 1693 et seq.). The information-collection requirements have been...

Energy and Electron Transfer in Enhanced Two-Photon-Absorbing Systems with Triplet Cores

PubMed Central

Finikova, Olga S.; Troxler, Thomas; Senes, Alessandro; DeGrado, William F.; Hochstrasser, Robin M.; Vinogradov, Sergei A.

2008-01-01

Enhanced two-photon-absorbing (2PA) systems with triplet cores are currently under scrutiny for several biomedical applications, including photodynamic therapy (PDT) and two-photon microscopy of oxygen. The performance of so far developed molecules, however, is substantially below expected. In this study we take a detailed look at the processes occurring in these systems and propose ways to improve their performance. We focus on the interchromophore distance tuning as a means for optimization of two-photon sensors for oxygen. In these constructs, energy transfer from several 2PA chromophores is used to enhance the effective 2PA cross section of phosphorescent metalloporphyrins. Previous studies have indicated that intramolecular electron transfer (ET) can act as an effective quencher of phosphorescence, decreasing the overall sensor efficiency. We studied the interplay between 2PA, energy transfer, electron transfer, and phosphorescence emission using Rhodamine B-Pt tetrabenzoporphyrin (RhB-PtTBP) adducts as model compounds. 2PA cross sections (σ2) of tetrabenzoporphyrins (TBPs) are in the range of several tens of GM units (near 800 nm), making TBPs superior 2PA chromophores compared to regular porphyrins (σ2 values typically 1-2 GM). Relatively large 2PA cross sections of rhodamines (about 200 GM in 800-850 nm range) and their high photostabilities make them good candidates as 2PA antennae. Fluorescence of Rhodamine B (λfl = 590 nm, ϕfl = 0.5 in EtOH) overlaps with the Q-band of phosphorescent PtTBP (λabs = 615 nm, ϵ = 98 000 M-1 cm-1, ϕp ∼ 0.1), suggesting that a significant amplification of the 2PA-induced phosphorescence via fluorescence resonance energy transfer (FRET) might occur. However, most of the excitation energy in RhB-PtTBP assemblies is consumed in several intramolecular ET processes. By installing rigid nonconducting decaproline spacers (Pro10) between RhB and PtTBP, the intramolecular ETs were suppressed, while the chromophores were kept within the Förster r0 distance in order to maintain high FRET efficiency. The resulting assemblies exhibit linear amplification of their 2PA-induced phosphorescence upon increase in the number of 2PA antenna chromophores and show high oxygen sensitivity. We also have found that PtTBPs possess unexpectedly strong forbidden S0 → T1 bands (λmax = 762 nm, ϵ = 120 M-1 cm-1). The latter may overlap with the laser spectrum and lead to unwanted linear excitation. PMID:17608457

Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes – a tool for estimating π-conjugation in aromatic systems† †Electronic supplementary information (ESI) available: Experimental details and procedures, 1H and 13C NMR data, GC traces and mass spectra. CCDC 1526301 and 1526302. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc00100b Click here for additional data file. Click here for additional data file.

PubMed Central

Janhsen, B.; Daniliuc, C. G.

2017-01-01

In this paper, the application of the double radical nucleophilic aromatic substitution (SRN1) in various dihalogenated, mostly diiodinated, π-conjugated systems as a tool for qualitatively estimating their π-conjugation is described. This approach uses electron delocalisation as a measure of π-conjugation. Electron injection into the π-system is achieved via reaction of an intermediate aryl radical, itself generated from a dihalogenated π-system via SET-reduction of the C–I bond and subsequent reaction with a thiolate anion. The generated arene radical anion can then further react with the second aryl-halogen moiety within the π-system via an intramolecular electron transfer process. The efficiency of this intramolecular electron transfer is related to the π-conjugation of the radical anion. If the π-conjugation within the aromatic unit is weak, the arene radical anion reacts via an intermolecular ET with the starting dihalide. The intramolecular ET process delivers a product of a double SRN1 substitution whereas the intermolecular ET pathway provides a product of a mono- SRN1 substitution. By simple product analysis of mono- versus double substitution, π-conjugation can be qualitatively evaluated. This mechanistic tool is applied to various dihalogenated π-conjugated systems and the results are discussed within the context of π-conjugation. The conjugation mode within the π-system and the length of the aromatic system are varied, and the effect of relative positioning of the two halides within small π-systems is also addressed. PMID:28580099

Electron quantum dynamics in atom-ion interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sabzyan, H., E-mail: sabzyan@sci.ui.ac.ir; Jenabi, M. J.

2016-04-07

Electron transfer (ET) process and its dependence on the system parameters are investigated by solving two-dimensional time-dependent Schrödinger equation numerically using split operator technique. Evolution of the electron wavepacket occurs from the one-electron species hydrogen atom to another bare nucleus of charge Z > 1. This evolution is quantified by partitioning the simulation box and defining regional densities belonging to the two nuclei of the system. It is found that the functional form of the time-variations of these regional densities and the extent of ET process depend strongly on the inter-nuclear distance and relative values of the nuclear charges, whichmore » define the potential energy surface governing the electron wavepacket evolution. Also, the initial electronic state of the single-electron atom has critical effect on this evolution and its consequent (partial) electron transfer depending on its spreading extent and orientation with respect to the inter-nuclear axis.« less

Constraining the Physics of AM Canum Venaticorum Systems with the Accretion Disk Instability Model

NASA Technical Reports Server (NTRS)

Cannizzo, John K.; Nelemans, Gijs

2015-01-01

Recent work by Levitan et al. has expanded the long-term photometric database for AM CVn stars. In particular, their outburst properties are well correlated with orbital period and allow constraints to be placed on the secular mass transfer rate between secondary and primary if one adopts the disk instability model for the outbursts. We use the observed range of outbursting behavior for AM CVn systems as a function of orbital period to place a constraint on mass transfer rate versus orbital period. We infer a rate approximately 5 x 10(exp -9) solar mass yr(exp -1) ((P(sub orb)/1000 s)(exp -5.2)). We show that the functional form so obtained is consistent with the recurrence time-orbital period relation found by Levitan et al. using a simple theory for the recurrence time. Also, we predict that their steep dependence of outburst duration on orbital period will flatten considerably once the longer orbital period systems have more complete observations.

Associative charge transfer reactions. Temperature effects and mechanism of the gas-phase polymerization of propene initiated by a benzene radical cation.

PubMed

Ibrahim, Yehia; Meot-Ner Mautner, Michael; El-Shall, M Samy

2006-07-13

In associative charge transfer (ACT) reactions, a core ion activates ligand molecules by partial charge transfer. The activated ligand polymerizes, and the product oligomer takes up the full charge from the core ion. In the present system, benzene(+*) (Bz(+*)) reacts with two propene (Pr) molecules to form a covalently bonded ion, C(6)H(6)(+*) + 2 C(3)H(6) --> C(6)H(12)(+*) + C(6)H(6). The ACT reaction is activated by a partial charge transfer from Bz(+*) to Pr in the complex, and driven to completion by the formation of a covalent bond in the polymerized product. An alternative channel forms a stable association product (Bz.Pr)(+*), with an ACT/association product ratio of 60:40% that is independent of pressure and temperature. In contrast to the Bz(+*)/propene system, ACT polymerization is not observed in the Bz(+*)/ethylene (Et) system since charge transfer in the Bz(+*)(Et) complex is inefficient to activate the reaction. The roles of charge transfer in these complexes are verified by ab initio calculations. The overall reaction of Bz(+*) with Pr follows second-order kinetics with a rate constant of k (304 K) = 2.1 x 10(-12) cm(3) s(-1) and a negative temperature coefficient of k = aT(-5.9) (or an activation energy of -3 kcal/mol). The kinetic behavior is similar to sterically hindered reactions and suggests a [Bz(+*) (Pr)]* activated complex that proceeds to products through a low-entropy transition state. The temperature dependence shows that ACT reactions can reach a unit collision efficiency below 100 K, suggesting that ACT can initiate polymerization in cold astrochemical environments.

Structural analysis of the space shuttle solid rocket booster/external tank attach ring

NASA Technical Reports Server (NTRS)

Dorsey, John T.

1988-01-01

An External Tank (ET) attach ring is used in the Space Shuttle System to transfer lateral loads between the ET and the Solid Rocket Booster (SRB). Following the Challenger (51-L) accident, the flight performance of the ET attach ring was reviewed, and negative margins of safety and failed bolts in the attach ring were subsequently identified. The analyses described in this report were performed in order to understand the existing ET attach ring structural response to motor case internal pressurization as well as to aid in an ET attach ring redesign effort undertaken by NASA LaRC. The finite element model as well as the results from linear and nonlinear static structural analyses are described.

Golden rule kinetics of transfer reactions in condensed phase: The microscopic model of electron transfer reactions in disordered solid matrices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Basilevsky, M. V.; Mitina, E. A.; Odinokov, A. V.

The algorithm for a theoretical calculation of transfer reaction rates for light quantum particles (i.e., the electron and H-atom transfers) in non-polar solid matrices is formulated and justified. The mechanism postulated involves a local mode (an either intra- or inter-molecular one) serving as a mediator which accomplishes the energy exchange between the reacting high-frequency quantum mode and the phonon modes belonging to the environment. This approach uses as a background the Fermi golden rule beyond the usually applied spin-boson approximation. The dynamical treatment rests on the one-dimensional version of the standard quantum relaxation equation for the reduced density matrix, whichmore » describes the frequency fluctuation spectrum for the local mode under consideration. The temperature dependence of a reaction rate is controlled by the dimensionless parameter ξ{sub 0}=ℏω{sub 0}/k{sub B}T where ω{sub 0} is the frequency of the local mode and T is the temperature. The realization of the computational scheme is different for the high/intermediate (ξ{sub 0} < 1 − 3) and for low (ξ{sub 0}≫ 1) temperature ranges. For the first (quasi-classical) kinetic regime, the Redfield approximation to the solution of the relaxation equation proved to be sufficient and efficient in practical applications. The study of the essentially quantum-mechanical low-temperature kinetic regime in its asymptotic limit requires the implementation of the exact relaxation equation. The coherent mechanism providing a non-vanishing reaction rate has been revealed when T→ 0. An accurate computational methodology for the cross-over kinetic regime needs a further elaboration. The original model of the hopping mechanism for electronic conduction in photosensitive organic materials is considered, based on the above techniques. The electron transfer (ET) in active centers of such systems proceeds via local intra- and intermolecular modes. The active modes, as a rule, operate beyond the kinetic regimes, which are usually postulated in the existing theories of the ET. Our alternative dynamic ET model for local modes immersed in the continuum harmonic medium is formulated for both classical and quantum regimes, and accounts explicitly for the mode/medium interaction. The kinetics of the energy exchange between the local ET subsystem and the surrounding environment essentially determine the total ET rate. The efficient computer code for rate computations is elaborated on. The computations are available for a wide range of system parameters, such as the temperature, external field, local mode frequency, and characteristics of mode/medium interaction. The relation of the present approach to the Marcus ET theory and to the quantum-statistical reaction rate theory [V. G. Levich and R. R. Dogonadze, Dokl. Akad. Nauk SSSR, Ser. Fiz. Khim. 124, 213 (1959); J. Ulstrup, Charge Transfer in Condensed Media (Springer, Berlin, 1979); M. Bixon and J. Jortner, Adv. Chem. Phys. 106, 35 (1999)] underlying it is discussed and illustrated by the results of computations for practically important target systems.« less

Dynamics of the transfer of terrestrial organic matter in the late Quaternary turbiditic system of the Ogooué River (Gabon)

NASA Astrophysics Data System (ADS)

Mignard, Salomé; Mulder, Thierry; Martinez, Philippe; Garlan, Thierry

2016-04-01

In many cases (Hedges et al., 1995, Xing et al., 2011) the supply of terrestrial organic matter (OM) in the oceanic environment is confined to the continental and upper slope of continental margins. However, some recent studies (Huc et al., 2001, Baudin et al., 2010, Biscara et al., 2011, Stetten et al., 2015) demonstrated that significant amounts of continental OM can be transported and deposited in deep sea sediments. This transfer is more efficient in turbiditic systems which are linked to important river deltas. In such systems, the terrigenous influx are important and the downslope sediment-laden currents can indeed transport and rapidly bury important quantities of TOM transferred from the river mouth and the shelf to the abyssal plain. The turbiditic system associated with the Ogooué River offshore Gabon has been selected to study more precisely the modalities of transfer of continental OM from the shelf to the deep offshore. The works focuses on the concentration of OM in both hemipelagites and turbidites as well as the different parameters influencing the spatial distribution and concentration. For this study 10 cores located along the system from the continental shelf to the distal lobes have been selected. The quantity of OM in the sediments as well as its origin (continental vs marine) have been measured using bulk geochemical analyses (% OC, δ13Corg). The stratigraphy of the cores was determined using a combination of planktonic foraminiferal assemblages, δ18O on benthic foraminifers and 14C dates on planktonic foraminifers, and calcium carbonate content calibrated with XRF measurements. The studied cores contain various amounts of organic carbon ranging from 0.7wt% to more than 9wt%. The highest contents are found in turbidite beds where woody detritus and well preserved fragmentary leaf debris are concentrated. In the hemipelagic facies, organic matter is composed of a mixture of marine and land derived organic matter associated with clay-size sediments. This organic sedimentation is highly sensitive to the variations of the sea level due to the alternation between glacial and interglacial times. Glacial periods are characterized by higher amounts of organic matter in hemipelagic deposits, with a higher contribution of continental material, and by the presence of frequent organic rich turbiditic beds. On the contrary, during interglacial periods very few turbiditic events are recorded and the OM in hemipelagic sediments is mainly of marine origin and in lesser quantity. When the sea-level is high, the Ogooué delta is disconnected from the canyon heads and the sediments delivered by the river are deposited on the shelf and mobilized by the strong South-North coastal drift currents. During low sea-level periods, the river discharges its sediments rich in terrestrial OM directly in the canyons heads bypassing the shelf. The low sea level also generates increased erosion of the shelf sediments containing globally high rate of reworked continental OM.

Echogenic Catheters and Embryo Transfer Standardization.

PubMed

Urbina, Maria Teresa; Benjamin, Isaac; Medina, Randolfo; Lerner, Jorge

2015-05-01

1.To describe the standardization process and protocols of the ET method at our center. 2.To compare the performance of non-echogenic catheters with echogenic catheters during ultrasound-guided ET. Retrospective analysis of 2630 ET performed at UNIFERTES during 1997-2014, to describe standardization process and to compare the percentage of difficult ET between echogenic and non-echogenic catheters. We tested 17 non-echogenic and three echogenic catheters. Many variables were associated with the ease of ET: informed patients, waiting time for the procedure, speculum use, clinical touch, uterine contractions, cervical mucus removal, presence of blood before or after the procedure, full bladder, ultrasound guidance, uterocervical angle, mock transfer, catheter type (soft or hard, echogenic or non-echogenic, with stylet or not), catheter loading technique, duration of embryo loading (time interval since the embryos were removed from the incubator for loading until the catheter is passed to the physician), transfer procedure (time interval from the catheter was handed to the physician until the embryos were discharged in the uterus), catheter tip placement, retained embryos, bed rest after ET, operator´s proficiency. The diversity of catheters used and the percentage of difficult transfers decrease as the use of echogenic catheters increases. This process is necessary to minimize variation, ensure high quality, safe and evidence-based practice, and improve outcomes. To standardize the ET method allowed a quicker and easier transfer. The use of echogenic catheters simplified ET procedures guided by abdominal ultrasound.

Adverse pregnancy outcomes after in vitro fertilization: effect of number of embryos transferred and plurality at conception.

PubMed

Luke, Barbara; Stern, Judy E; Kotelchuck, Milton; Declercq, Eugene R; Hornstein, Mark D; Gopal, Daksha; Hoang, Lan; Diop, Hafsatou

2015-07-01

To evaluate risks for adverse pregnancy outcomes by number of embryos transferred (ET) and fetal heartbeats (FHB) in assisted reproductive technology-conceived singleton live births. Longitudinal cohort using cycles reported to the Society for Assisted Reproductive Technology Clinic Outcomes Reporting System between 2004 and 2008 among women who were treated and gave birth in Massachusetts. Not applicable. Assisted reproductive technology data on 6,073 births between 2004 and 2008 were linked to vital records and hospital data. Likelihood of ET ≥3 vs. 1-2, FHB >1 vs. 1, and risks of preterm birth (PTB, <37 weeks' gestation), low birth weight (LBW, <2,500 g), and small-for-gestational-age birth weight (SGA, <10th percentile) with FHB >1 were modeled with binary logistic regression using a backward-stepping algorithm, and presented as adjusted odds ratios (95% confidence intervals). None. ET ≥3, FHB >1, PTB, LBW, and SGA. Higher ET was significantly more likely with older maternal age, intracytoplasmic sperm injection, assisted hatching, cleavage-stage embryos, and thawed embryos. The likelihood of FHB >1 with ≥3 ET vs. 1-2 ET was 2.04 (1.68-2.48). Risks of PTB and LBW with FHB >1 were 1.63 (1.27-2.09) and 1.81 (1.36-2.39), respectively; the risk of SGA was not significant. Nulliparity was associated with higher risks of PTB (1.34 [1.12-1.59]), LBW (1.48 [1.20-1.83]), and SGA (2.17 [1.69-2.78]). Number of embryos transferred was strongly associated with FHBs, with twice the risk of FHB >1 with ≥3 ET vs. 1-2 ET. Increasing FHBs were associated with significantly greater risks for PTB and LBW outcomes. Copyright © 2015 American Society for Reproductive Medicine. Published by Elsevier Inc. All rights reserved.

How well do we know the incoming solar infrared radiation?

NASA Astrophysics Data System (ADS)

Elsey, Jonathan; Coleman, Marc; Gardiner, Tom; Shine, Keith

2017-04-01

The solar spectral irradiance (SSI) has been identified as a key climate variable by the Global Climate Observing System (Bojinski et al. 2014, Bull. Amer. Meteor. Soc.). It is of importance in the modelling of atmospheric radiative transfer, and the quantification of the global energy budget. However, in the near-infrared spectral region (between 2000-10000 cm-1) there exists a discrepancy of 7% between spectra measured from the space-based SOLSPEC instrument (Thuillier et al. 2015, Solar Physics) and those from a ground-based Langley technique (Bolseé et al. 2014, Solar Physics). This same difference is also present between different analyses of the SOLSPEC data. This work aims to reconcile some of these differences by presenting an estimate of the near-infrared SSI obtained from ground-based measurements taken using an absolutely calibrated Fourier transform spectrometer. Spectra are obtained both using the Langley technique and by direct comparison with a radiative transfer model, with appropriate handling of both aerosol scattering and molecular continuum absorption. Particular focus is dedicated to the quantification of uncertainty in these spectra, from both the inherent uncertainty in the measurement setup and that from the use of the radiative transfer code and its inputs.

Modeling donor/acceptor interactions: Combined roles of theory and computation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Newton, M.D.

2000-03-05

An extended superexchange model for electron transfer (ET) matrix elements (H{sub DA}) has been formulated as a superposition of McConnell-type pathways and implemented by combined use of configuration interaction wave functions (obtained using the INDO/s model of Zerner and co-workers) and the generalized Muliken-Hush formulation of charge-localized diabatic states. Applications are made for et (and hold transfer) in several donor/bridge/acceptor radical anion (and cation) systems, (DBA){sup {+-}}, allowing detailed comparison with experimental H{sub DA} estimates. For the case of oligo phenylene ethynylene (OPE) bridges, the role of {pi} and {sigma} electronic manifolds for different distributions of phenylene torsion angles ismore » analyzed in detail.« less

Length-dependence of intramolecular electron transfer in σ-bonded rigid molecular rods: an ab initio molecular orbital study

NASA Astrophysics Data System (ADS)

Pati, Ranjit; Karna, Shashi P.

2002-01-01

The dependence of electron transfer (ET) coupling element, VAB, on the length of rigid-rod-like systems consisting of bicyclo[1.1.1]pentane (BCP), cubane (CUB), and bicyclo[2.2.2]octane (BCO) monomers, has been investigated with the use of ab initio Hartree-Fock (HF) method employing Marcus-Hush two-state (TS) model. The value of VAB decreases exponentially with increase in the number of the cage units of the σ-bonded molecules. The calculated decay constant, β, shows good agreement with previously reported data. For molecular length⩾15 Å, the value of VAB becomes negligibly small, suggesting complete suppression of the through bond direct tunneling contribution to ET process.

In vitro fertilization in Japan — Early days of in vitro fertilization and embryo transfer and future prospects for assisted reproductive technology —

PubMed Central

SUZUKI, Masakuni

2014-01-01

Assisted reproductive technology (ART) such as in vitro fertilization (IVF) and embryo transfer (ET) has been essential in the treatment of infertility. The world’s first IVF-ET baby was born in 1978 based on the technique developed by Dr. Robert Edwards and Dr. Patrick Steptoe.1) In Japan, the first IVF-ET birth was reported in 1983 by Prof. Masakuni Suzuki at Tohoku University School of Medicine.2,3) IVF-ET is a procedure used to achieve pregnancy that consists of extracting oocytes from an infertile woman, fertilizing them in vitro, and transferring fertilized eggs into the patient’s uterine cavity (Fig. 1). Since the first report of successful IVF-ET, numerous techniques related to ART, such as cryopreservation of oocytes and embryos, gamete intrafallopian transfer (GIFT), and microinsemination, have been developed and refined (Table 1). Herein we describe the history of basic research in IVF-ET that led to human applications, how the birth of the first IVF-ET baby was achieved in Japan, the current status of ART in Japan, issues related to ART, and future prospects for ART. PMID:24814992

Quantized spin-momentum transfer in atom-sized magnetic systems

NASA Astrophysics Data System (ADS)

Loth, Sebastian

2010-03-01

Our ability to quickly access the vast amounts of information linked in the internet is owed to the miniaturization of magnetic data storage. In modern disk drives the tunnel magnetoresistance effect (TMR) serves as sensitive reading mechanism for the nanoscopic magnetic bits [1]. At its core lies the ability to control the flow of electrons with a material's magnetization. The inverse effect, spin transfer torque (STT), allows one to influence a magnetic layer by high current densities of spin-polarized electrons and carries high hopes for applications in non-volatile magnetic memory [2]. We show that equivalent processes are active in quantum spin systems. We use a scanning tunneling microscope (STM) operating at low temperature and high magnetic field to address individual magnetic structures and probe their spin excitations by inelastic electron tunneling [3]. As model system we investigate transition metal atoms adsorbed to a copper nitride layer grown on a Cu crystal. The magnetic atoms on the surface possess well-defined spin states [4]. Transfer of one magnetic atom to the STM tip's apex creates spin-polarization in the probe tip. The combination of functionalized tip and surface adsorbed atom resembles a TMR structure where the magnetic layers now consist of one magnetic atom each. Spin-polarized current emitted from the probe tip not only senses the magnetic orientation of the atomic spin system, it efficiently transfers spin angular momentum and pumps the quantum spin system between the different spin states. This enables further exploration of the microscopic mechanisms for spin-relaxation and stability of quantum spin systems. [4pt] [1] Zhu and Park, Mater. Today 9, 36 (2006).[0pt] [2] Huai, AAPPS Bulletin 18, 33 (2008).[0pt] [3] Heinrich et al., Science 306, 466 (2004).[0pt] [4] Hirjibehedin et al., Science 317, 1199 (2007).

Alternative Electron-Transfer Channels Ensure Ultrafast Deactivation of Light-Induced Excited States in Riboflavin Binding Protein.

PubMed

Zanetti-Polzi, Laura; Aschi, Massimiliano; Amadei, Andrea; Daidone, Isabella

2017-07-20

Flavoproteins, containing flavin chromophores, are enzymes capable of transferring electrons at very high speeds. The ultrafast photoinduced electron-transfer (ET) kinetics of riboflavin binding protein to the excited riboflavin was studied by femtosecond spectroscopy and found to occur within a few hundred femtoseconds [ Zhong and Zewail, Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 11867-11872 ]. This ultrafast kinetics was attributed to the presence of two aromatic rings that could transfer the electron to riboflavin: the side chains of tryptophan 156 and tyrosine 75. However, the underlying ET mechanism remained unclear. Here, using a hybrid quantum mechanical-molecular dynamics approach, we perform ET dynamics simulations taking into account the motion of the protein and the solvent upon ET. This approach reveals that ET occurs via a major reaction channel involving tyrosine 75 (83%) and a minor one involving tryptophan 156 (17%). We also show that the protein environment is designed to ensure the fast quenching of the riboflavin excited state.

Energy transfer mechanism and optoelectronic properties of (PFO/TiO2)/Fluorol 7GA nanocomposite thin films

NASA Astrophysics Data System (ADS)

Al-Asbahi, Bandar Ali

2017-10-01

Energy transfer between poly (9,9'-di-n-octylfluorenyl-2,7-diyl) (PFO) as a donor in presence of TiO2 nanoparticles (NPs) and Fluorol 7GA as an acceptor with different weight ratios has been investigated by steady-state emission measurements. Based on the absorption and fluorescence measurements, the energy transfer properties, such as quenching rate constant (kSV), energy transfer rate constant (kET), quantum yield (ϕDA), and lifetime (τDA), of the donor in the presence of the acceptor, energy transfer probability (PDA), energy transfer efficiency (η), energy transfer time (τET), and critical distance of the energy transfer (Ro) were calculated. Förster-type energy transfer between the excited donor and ground-state acceptor molecules was the dominant mechanism responsible for the energy transfer as evidenced by large values of kSV, kET, and Ro. Moreover, these composite materials were employed as an emissive layer in organic light-emitting diodes (OLEDs). Additionally, the optoelectronic properties of OLEDs were investigated in terms of current density-voltage characteristics and electroluminescence spectra.

Fragment-based Quantum Mechanical/Molecular Mechanical Simulations of Thermodynamic and Kinetic Process of the Ru2+-Ru3+ Self-Exchange Electron Transfer.

PubMed

Zeng, Xiancheng; Hu, Xiangqian; Yang, Weitao

2012-12-11

A fragment-based fractional number of electron (FNE) approach, is developed to study entire electron transfer (ET) processes from the electron donor region to the acceptor region in condensed phase. Both regions are described by the density-fragment interaction (DFI) method while FNE as an efficient ET order parameter is applied to simulate the electron transfer process. In association with the QM/MM energy expression, the DFI-FNE method is demonstrated to describe ET processes robustly with the Ru 2+ -Ru 3+ self-exchange ET as a proof-of-concept example. This method allows for systematic calculations of redox free energies, reorganization energies, and electronic couplings, and the absolute ET rate constants within the Marcus regime.

Modeling the free energy surfaces of electron transfer in condensed phases

NASA Astrophysics Data System (ADS)

Matyushov, Dmitry V.; Voth, Gregory A.

2000-10-01

We develop a three-parameter model of electron transfer (ET) in condensed phases based on the Hamiltonian of a two-state solute linearly coupled to a harmonic, classical solvent mode with different force constants in the initial and final states (a classical limit of the quantum Kubo-Toyozawa model). The exact analytical solution for the ET free energy surfaces demonstrates the following features: (i) the range of ET reaction coordinates is limited by a one-sided fluctuation band, (ii) the ET free energies are infinite outside the band, and (iii) the free energy surfaces are parabolic close to their minima and linear far from the minima positions. The model provides an analytical framework to map physical phenomena conflicting with the Marcus-Hush two-parameter model of ET. Nonlinear solvation, ET in polarizable charge-transfer complexes, and configurational flexibility of donor-acceptor complexes are successfully mapped onto the model. The present theory leads to a significant modification of the energy gap law for ET reactions.

Hypnosis versus diazepam for embryo transfer: a randomized controlled study.

PubMed

Catoire, Patrick; Delaunay, Laurent; Dannappel, Thomas; Baracchini, Dominique; Marcadet-Fredet, Sabine; Moreau, Olivier; Pacaud, Luc; Przyrowski, Daniel; Marret, Emmanuel

2013-04-01

Levitas et al. (2006) showed in a cohort study that hypnosis during embryo transfer (ET) increased pregnancy ratio by 76%. In order to evaluate hypnosis during ET in a general population, the authors performed a randomized prospective controlled study comparing diazepam (usual premedication) administered before ET plus muscle relaxation versus hypnosis plus placebo in 94 patients. Additionally, the authors studied anxiety pre and post ET. Anxiety scores were not different in the two groups before and after ET. No difference in pregnancy and birth ratio was found in the two groups. Hypnosis during ET is as effective as diazepam in terms of pregnancy ratio and anxiolytic effects, but with fewer side effects and should be routinely available.

What a difference two days make: "personalized" embryo transfer (pET) paradigm: a case report and pilot study.

PubMed

Ruiz-Alonso, M; Galindo, N; Pellicer, A; Simón, C

2014-06-01

Embryo implantation requires that the blastocyst will attach during the receptive stage of the endometrium, known as window of implantation (WOI). Historically, it has been assumed that the WOI is always constant in all women. However, molecular analyses of endometrial receptivity demonstrates a personalized WOI (pWOI) that is displaced in one out of four patients suffering from recurrent implantation failure (RIF) of endometrial origin and illustrates the utility of a personalized endometrial diagnostic approach. Here, we report a clinical case of successful personalized embryo transfer (pET) after four IVF and three oocyte donation failed attempts in which different embryo transfer strategies were attempted. This case report is complemented by a pilot study of 17 patients undergoing oocyte donation and who suffered failed implantations with routine embryo transfer (ET) but were then treated with pET after the personalized diagnosis of their WOI.

Ultrafast dynamics of colloidal semiconductor nanocrystals relevant to solar fuels production

NASA Astrophysics Data System (ADS)

Cogan, Nicole M. B.; Liu, Cunming; Qiu, Fen; Burke, Rebeckah; Krauss, Todd D.

2017-05-01

Artificial conversion of sunlight to chemical fuels has attracted attention for several decades as a potential source of clean, renewable energy. We recently found that CdSe quantum dots (QDs) and simple aqueous Ni2+ salts in the presence of a sacrificial electron donor form a highly efficient, active, and robust system for photochemical reduction of protons to molecular hydrogen. Ultrafast transient absorption spectroscopy studies of electron transfer (ET) processes from the QDs to the Ni catalysts reveal extremely fast ET, and provide a fundamental explanation for the exceptional photocatalytic H2 activity. Additionally, by studying H2 production of the Ni catalyst with CdSe/CdS nanoparticles of various structures, it was determined that surface charge density plays an important role in charge transfer and ultimately H2 production activity.

Embryo transfer techniques: an American Society for Reproductive Medicine survey of current Society for Assisted Reproductive Technology practices.

PubMed

Toth, Thomas L; Lee, Malinda S; Bendikson, Kristin A; Reindollar, Richard H

2017-04-01

To better understand practice patterns and opportunities for standardization of ET. Cross-sectional survey. Not applicable. Not applicable. An anonymous 82-question survey was emailed to the medical directors of 286 Society for Assisted Reproductive Technology member IVF practices. A follow-up survey composed of three questions specific to ET technique was emailed to the same medical directors. Descriptive statistics of the results were compiled. The survey assessed policies, protocols, restrictions, and specifics pertinent to the technique of ET. There were 117 (41%) responses; 32% practice in academic settings and 68% in private practice. Responders were experienced clinicians, half of whom had performed <10 procedures during training. Ninety-eight percent of practices allowed all practitioners to perform ET; half did not follow a standardized ET technique. Multiple steps in the ET process were identified as "highly conserved;" others demonstrated discordance. ET technique is divided among [1] trial transfer followed immediately with ET (40%); [2] afterload transfer (30%); and [3] direct transfer without prior trial or afterload (27%). Embryos are discharged in the upper (66%) and middle thirds (29%) of the endometrial cavity and not closer than 1-1.5 cm from fundus (87%). Details of each step were reported and allowed the development of a "common" practice ET procedure. ET training and practices vary widely. Improved training and standardization based on outcomes data and best practices are warranted. A common practice procedure is suggested for validation by a systematic literature review. Copyright © 2017 American Society for Reproductive Medicine. Published by Elsevier Inc. All rights reserved.

Unified interpretation of exciplex formation and marcus electron transfer on the basis of two-dimensional free energy surfaces.

PubMed

Murata, Shigeo; Tachiya, M

2007-09-27

The mechanism of exciplex formation proposed in a previous paper has been refined to show how exciplex formation and Marcus electron transfer (ET) in fluorescence quenching are related to each other. This was done by making simple calculations of the free energies of the initial (DA*) and final (D+A-) states of ET. First it was shown that the decrease in D-A distance can induce intermolecular ET even in nonpolar solvents where solvent orientational polarization is absent, and that it leads to exciplex formation. This is consistent with experimental results that exciplex is most often observed in nonpolar solvents. The calculation was then extended to ET in polar solvents where the free energies are functions of both D-A distance and solvent orientational polarization. This enabled us to discuss both exciplex formation and Marcus ET in the same D-A pair and solvent on the basis of 2-dimensional free energy surfaces. The surfaces contain more information about the rates of these reactions, the mechanism of fluorescence quenching by ET, etc., than simple reaction schemes. By changing the parameters such as the free energy change of reaction, solvent dielectric constants, etc., one can construct the free energy surfaces for various systems. The effects of free energy change of reaction and of solvent polarity on the mechanism and relative importance of exciplex formation and Marcus ET in fluorescence quenching can be well explained. The free energy surface will also be useful for discussion of other phenomena related to ET reactions.

Density functional theory mechanistic study of the reduction of CO2 to CH4 catalyzed by an ammonium hydridoborate ion pair: CO2 activation via formation of a formic acid entity.

PubMed

Wen, Mingwei; Huang, Fang; Lu, Gang; Wang, Zhi-Xiang

2013-10-21

Density functional theory computations have been applied to gain insight into the CO2 reduction to CH4 with Et3SiH, catalyzed by ammonium hydridoborate 1 ([TMPH](+)[HB(C6F5)3](-), where TMP = 2,2,6,6-tetramethylpiperidine) and B(C6F5)3. The study shows that CO2 is activated through the concerted transfer of H(δ+) and H(δ-) of 1 to CO2, giving a complex (IM2) with a well-formed HCOOH entity, followed by breaking of the O-H bond of the HCOOH entity to return H(δ+) to TMP, resulting in an intermediate 2 ([TMPH](+)[HC(═O)OB(C6F5)3)](-)), with CO2 being inserted into the B-H bond of 1. However, unlike CO2 insertion into transition-metal hydrides, the direct insertion of CO2 into the B-H bond of 1 is inoperative. The computed CO2 activation mechanism agrees with the experimental synthesis of 2 via reacting HCOOH with TMP/B(C6F5)3. Subsequent to the CO2 activation and B(C6F5)3-mediated hydrosilylation of 2 to regenerate the catalyst (1), giving HC(═O)OSiEt3 (5), three hydride-transfer steps take place, sequentially transferring H(δ-) of Et3SiH to 5 to (Et3SiO)2CH2 (6, the product of the first hydride-transfer step) to Et3SiOCH3 (7, the product of the second hydride-transfer step) and finally resulting in CH4. These hydride transfers are mediated by B(C6F5)3 via two SN2 processes without involving 1. B(C6F5)3 acts as a hydride carrier that, with the assistance of a nucleophilic attack of 5-7, first grabs H(δ-) from Et3SiH (the first SN2 process), giving HB(C6F5)3(-), and then leave H(δ-) of HB(C6F5)3(-) to the electrophilic C center of 5-7 (the second SN2 process). The SN2 processes utilize the electrophilic and nucleophilic characteristics possessed by the hydride acceptors (5-7). The hydride-transfer mechanism is different from that in the CO2 reduction to methanol catalyzed by N-heterocyclic carbene (NHC) and PCP-pincer nickel hydride ([Ni]H), where the characteristic of possessing a C═O double bond of the hydride acceptors is utilized for hydride transfer. The mechanistic differences elucidate why the present system can completely reduce CO2 to CH4, whereas NHC and [Ni]H catalysts can only mediate the reduction of CO2 to [Si]OCH3 and catBOCH3, respectively. Understanding this could help in the development of catalysts for selective CO2 reduction to CH4 or methanol.

Transfer function of analog fiber-optic systems driven by Fabry-Perot lasers: comment

NASA Astrophysics Data System (ADS)

Gyula, Veszely

2006-10-01

A bad notation makes difficult the understanding of the paper of Capmany et al. [J. Opt. Soc. Am. B22, 2099 (2005)]. The reason is that the real time function and the complex time function run into one another.

Day 4 good morula embryo transfer provided compatible live birth rate with day 5 blastocyst embryo in fresh IVF/ET cycles.

PubMed

Li, Ryh-Sheng; Hwu, Yuh-Ming; Lee, Robert Kuo-Kuang; Li, Sheng-Hsiang; Lin, Ming-Huei

2018-02-01

Embryo transfers during cleavage stage (day 2 or day 3) and blastocyst stages (day 5 or day 6) are common in current daily practice in fresh IVF/ET cycles. Data regarding transferring day 4 embryos, morula/compact stage, is still restricted and the grading system is also inconsistent, as between IVF clinics. This study provided a new detailed classification system for morula/compact stage embryos and compared successes rates between day 4 and day 5 ET. This was a retrospective study. A review of medical records from January 1st, 2013, to December 31st 2015, performed for all conventional insemination and ICSI cycles with a GnRH-antagonist protocol at the Infertility Division of MacKay Memorial Hospital in Taipei City, Taiwan. There were 427 cycles included in our study, 107 in study group (day 4 MET) and 320 in control group (day 5 BET). Pregnancy rates and live birth rate were compatible, as between morula embryo transfer (MET) and blastocyst embryo transfer (BET). The implantation rate (36.3% vs. 39.6%, respectively, p = 0.500), clinical pregnancy rate (49.5% vs. 51.9%, respectively, p = 0.737), and live birth rate (42.1% vs. 45.6%, respectively, p = 0.574) were statistically insignificant between groups. The term birth rate was statistically higher in the MET group than in the BET group (95.7% vs. 79.5%, respectively, p = 0.006). When the clinical outcomes between day 4 good MET and day 5 good BET were compared, the results were compatible. The implantation rate (48.8% vs. 41.1%, respectively, p = 0.335), clinical pregnancy rate (55.0% vs. 53.2%, respectively, p = 0.867), and live birth rate (47.5% vs. 47.1%, respectively, p = 1.000) showed no significant difference. The term birth rate was also higher in day 4 good MET group than in day 5 good BET group (100% vs. 78.3%, respectively, p = 0.025). In this study, we performed day 4 MET avoid BET on Sunday. The grading system we provided was more detailed for embryo selection and it was easier to remember. Our data showed that morula embryo transfer might be a flexible, easier and applicable method for embryo transfer in daily routine. Copyright © 2018. Published by Elsevier B.V.

Basic and Applied Aspects of Color Tuning of Bioluminescence Systems

NASA Astrophysics Data System (ADS)

Ohmiya, Yoshihiro

2005-09-01

V. Viviani et al. [Biochemistry 38 (1999) 8271] were the first to succeed in cloning the red-emitting enzyme from the South American railroad worm, which is the only bioluminescent organism known to emit a red-colored light. The application of red bioluminescence has been our goal because the transmittance of longer-wavelength light is superior to that of the other colors for visualization of biological functions in living cells. Now, different color luciferases, which emit with wavelength maxima ranging from 400 to 630 nm, are available and are being used. For example, based on different color luciferases, Nakajima et al. developed a tricolor reporter in vitro assay system based on these different color luciferases in which the expression of three genes can be monitored simultaneously. On the other hand, bioluminescence resonance energy transfer (BRET) is a natural phenomenon caused by the intermolecular interaction between a bioluminescent protein and a fluorophore on a second protein, resulting in the light from the bioluminescence reaction having the spectrum of the fluorophore. Otsuji et al. [Anal. Biochem. 329 (2004) 230] showed that the change in the efficiency of energy transfer in intramolecular BRET can quantify cellular functions in living cells. In this review, I introduce the basic mechanisms of color tuning in bioluminescent systems and new applications based on color tuning in the life sciences.

Electron transfer by excited benzoquinone anions: slow rates for two-electron transitions.

PubMed

Zamadar, Matibur; Cook, Andrew R; Lewandowska-Andralojc, Anna; Holroyd, Richard; Jiang, Yan; Bikalis, Jin; Miller, John R

2013-09-05

Electron transfer (ET) rate constants from the lowest excited state of the radical anion of benzoquinone, BQ(-•)*, were measured in THF solution. Rate constants for bimolecular electron transfer reactions typically reach the diffusion-controlled limit when the free-energy change, ΔG°, reaches -0.3 eV. The rate constants for ET from BQ(-•)* are one-to-two decades smaller at this energy and do not reach the diffusion-controlled limit until -ΔG° is 1.5-2.0 eV. The rates are so slow probably because a second electron must also undergo a transition to make use of the energy of the excited state. Similarly, ET, from solvated electrons to neutral BQ to form the lowest excited state, is slow, while fast ET is observed at a higher excited state, which can be populated in a transition involving only one electron. A simple picture based on perturbation theory can roughly account for the control of electron transfer by the need for transition of a second electron. The picture also explains how extra driving force (-ΔG°) can restore fast rates of electron transfer.

Light scattering by planetary-regolith analog samples: computational results

NASA Astrophysics Data System (ADS)

Väisänen, Timo; Markkanen, Johannes; Hadamcik, Edith; Levasseur-Regourd, Anny-Chantal; Lasue, Jeremie; Blum, Jürgen; Penttilä, Antti; Muinonen, Karri

2017-04-01

We compute light scattering by a planetary-regolith analog surface. The corresponding experimental work is from Hadamcik et al. [1] with the PROGRA2-surf [2] device measuring the polarization of dust particles. The analog samples are low density (volume fraction 0.15 ± 0.03) agglomerates produced by random ballistic deposition of almost equisized silica spheres (refractive index n=1.5 and diameter 1.45 ± 0.06 µm). Computations are carried out with the recently developed codes entitled Radiative Transfer with Reciprocal Transactions (R2T2) and Radiative Transfer Coherent Backscattering with incoherent interactions (RT-CB-ic). Both codes incorporate the so-called incoherent treatment which enhances the applicability of the radiative transfer as shown by Muinonen et al. [3]. As a preliminary result, we have computed scattering from a large spherical medium with the RT-CB-ic using equal-sized particles with diameters of 1.45 microns. The preliminary results have shown that the qualitative characteristics are similar for the computed and measured intensity and polarization curves but that there are still deviations between the characteristics. We plan to remove the deviations by incorporating a size distribution of particles (1.45 ± 0.02 microns) and detailed information about the volume density profile within the analog surface. Acknowledgments: We acknowledge the ERC Advanced Grant no. 320773 entitled Scattering and Absorption of Electromagnetic Waves in Particulate Media (SAEMPL). Computational resources were provided by CSC - IT Centre for Science Ltd, Finland. References: [1] Hadamcik E. et al. (2007), JQSRT, 106, 74-89 [2] Levasseur-Regourd A.C. et al. (2015), Polarimetry of stars and planetary systems, CUP, 61-80 [3] Muinonen K. et al. (2016), extended abstract for EMTS.

Nonlinear optical detection of electron transfer adiabaticity in metal polypyridyl complexes.

PubMed

Miller, Stephen A; Moran, Andrew M

2010-02-11

Nonlinear optical signatures of electron transfer (ET) adiabaticity are investigated in a prototypical metal polypyridyl system, Os(II)(bpy)(3), known to possess large interligand couplings. Together with a theoretical model, transient absorption anisotropy (TAA) experiments show that field-matter interactions occur with diabatic basis states despite these large couplings. In addition, activated and activationless interligand ET mechanisms are distinguished with a series of TAA experiments in which the pump pulse frequency is tuned over a wide range. At lower pump frequencies, activated interligand ET, which occurs with a time constant of approximately 600 fs, is the dominant mechanism. However, an activationless mechanism becomes most prominent when the pump pulse is tuned by only 800 cm(-1) to higher frequency. This sensitivity of the ET mechanism to the pump frequency agrees with earlier experimental work that estimated an activation energy barrier of 875 cm(-1). The premise of signal interpretation in this paper is that the basis states appropriate for modeling nonradiative relaxation also govern the optical response. Model calculations suggest that optical nonlinearities corresponding to diabatic and adiabatic bases are readily distinguished with TAA experiments. In the diabatic basis, field-matter interaction sequences are restricted to terms in which the pump and probe pulses interact with the same transition dipoles, whereas the adiabatic basis imposes no such restriction and supports a class of coherent cross terms in the nonlinear response function. It is suggested that TAA should be preferred to alternative methods of studying ET adiabaticity that vary solvents and/or temperature. Altering the solvent, for example, generally also impacts solvent reorganization energies and the free energies of the donor and acceptor states. Parallels are discussed between the present work and research aimed at understanding energy transfer mechanisms in molecular aggregates.

[Analysis of pregnancy outcomes of polycystic ovary syndrome patients after frozen embryo transfer].

PubMed

Lyu, X D; Qiao, J

2018-01-25

Objective: To investigate pregnancy outcomes of the patients with polycystic ovary syndrome (PCOS) after frozen embryo transfer (FET) . Methods: Data of 2 367 PCOS patients received in vitro fertilization-embryo transfer [including fresh embryo transfer (fET) and FET] from January 2009 to December 2015 in Peking University Third Hospital were evaluated retrospectively. The basal characteristics, pregnancy complications and outcomes were analyzed, then identified the relative factors followed. Results: Totally 2 367 patients received in vitro fertilization-embryo transfer: 1 106 were treated with fET, and the rest 1 261 cases were treated with FET. The incidence of gestational diabetes mellitus (GDM) was lower in FET group [4.04%(51/1 261) versus 6.15%(68/1 106)], the difference was statistically significant ( P< 0.05). Singletons born after FET had higher birth weight than fET [(3 406±548) versus (3 360±533) g], the difference was statistically significant ( P< 0.05). There was no difference of other pregnancy complications between the two groups (all P> 0.05). fET was an independent risk factor for GDM (adjusted OR= 1.570, 95% CI: 1.075-2.294). Conclusion: Compared with fET, FET could decrease the risk of GDM and receive better neonatal outcomes in patients with PCOS.

Ab initio characterization of electron transfer coupling in photoinduced systems: generalized Mulliken-Hush with configuration-interaction singles.

PubMed

Chen, Hung-Cheng; Hsu, Chao-Ping

2005-12-29

To calculate electronic couplings for photoinduced electron transfer (ET) reactions, we propose and test the use of ab initio quantum chemistry calculation for excited states with the generalized Mulliken-Hush (GMH) method. Configuration-interaction singles (CIS) is proposed to model the locally excited (LE) and charge-transfer (CT) states. When the CT state couples with other high lying LE states, affecting coupling values, the image charge approximation (ICA), as a simple solvent model, can lower the energy of the CT state and decouple the undesired high-lying local excitations. We found that coupling strength is weakly dependent on many details of the solvent model, indicating the validity of the Condon approximation. Therefore, a trustworthy value can be obtained via this CIS-GMH scheme, with ICA used as a tool to improve and monitor the quality of the results. Systems we tested included a series of rigid, sigma-linked donor-bridge-acceptor compounds where "through-bond" coupling has been previously investigated, and a pair of molecules where "through-space" coupling was experimentally demonstrated. The calculated results agree well with experimentally inferred values in the coupling magnitudes (for both systems studied) and in the exponential distance dependence (for the through-bond series). Our results indicate that this new scheme can properly account for ET coupling arising from both through-bond and through-space mechanisms.

Stimulated Raman adiabatic passage in physics, chemistry, and beyond

NASA Astrophysics Data System (ADS)

Vitanov, Nikolay V.; Rangelov, Andon A.; Shore, Bruce W.; Bergmann, Klaas

2017-01-01

The technique of stimulated Raman adiabatic passage (STIRAP), which allows efficient and selective population transfer between quantum states without suffering loss due to spontaneous emission, was introduced in 1990 by Gaubatz et al.. Since then STIRAP has emerged as an enabling methodology with widespread successful applications in many fields of physics, chemistry, and beyond. This article reviews the many applications of STIRAP emphasizing the developments since 2001, the time when the last major review on the topic was written (Vitanov, Fleischhauer et al.). A brief introduction into the theory of STIRAP and the early applications for population transfer within three-level systems is followed by the discussion of several extensions to multilevel systems, including multistate chains and tripod systems. The main emphasis is on the wide range of applications in atomic and molecular physics (including atom optics, cavity quantum electrodynamics, formation of ultracold molecules, etc.), quantum information (including single- and two-qubit gates, entangled-state preparation, etc.), solid-state physics (including processes in doped crystals, nitrogen-vacancy centers, superconducting circuits, semiconductor quantum dots and wells), and even some applications in classical physics (including waveguide optics, polarization optics, frequency conversion, etc.). Promising new prospects for STIRAP are also presented (including processes in optomechanics, precision experiments, detection of parity violation in molecules, spectroscopy of core-nonpenetrating Rydberg states, population transfer with x-ray pulses, etc.).

The Influence of Glazing Systems on the Energy Performance of Low-Rise Commercial Buildings.

DTIC Science & Technology

1985-05-01

calculating the solar flux through the glazing system, the overall transmittance and absorptance of each layer as a function of the angle of...SYSTEM CHARACTERISTICS ...... ............... 16 3.1 Solar Optical Properties .... ............. 16 3.2 Heat Transfer_.. ...... ............... 18 3.3...building types, carries through to the occupancy characteristics and internal loading assignments. Solar glazing film has been studied (Treado,et al.,1983b

Recent Monitoring of Suspended Sediment Patterns along Louisiana's Coastal Zone using ER-2 based MAS Data and Terra Based MODIS Data

NASA Technical Reports Server (NTRS)

Moeller, Christopher C.; Gunshor, M. M.; Menzel, W. P.; Huh, O. K.; Walker, N. D.; Rouse, L. J.

2001-01-01

The University nf Wisconsin and Louisiana State University have teamed to study the forcing of winter season cold frontal wind systems on sediment distribution patterns and geomorphology in the Louisiana coastal zone. Wind systems associated with cold fronts have been shown to model coastal circulation and resuspend sediments along the micro tidal Louisiana coast (Roberts et at. 1987, Moeller et al. 1993). Remote sensing data is being used to map and track sediment distribution patterns for various wind conditions. Suspended sediment is a building material for coastal progradation and wetlands renewal, but also restricts access to marine nursery environments and impacts oyster bed health. Transferring a suspended sediment concentration (SSC) algorithm to EOS MODerate resolution Imaging Spectroradiometer (MODIS; Barnes et al. 1998) observations may enable estimates of SSC globally.

Role of the Kazerun fault system in active deformation of the Zagros fold-and-thrust belt (Iran)

NASA Astrophysics Data System (ADS)

Authemayou, Christine; Bellier, Olivier; Chardon, Dominique; Malekzade, Zaman; Abassi, Mohammad

2005-04-01

Field structural and SPOT image analyses document the kinematic framework enhancing transfer of strike-slip partitioned motion from along the backstop to the interior of the Zagros fold-and-thrust belt in a context of plate convergence slight obliquity. Transfer occurs by slip on the north-trending right-lateral Kazerun Fault System (KFS) that connects to the Main Recent Fault, a major northwest-trending dextral fault partitioning oblique convergence at the rear of the belt. The KFS formed by three fault zones ended by bent orogen-parallel thrusts allows slip from along the Main Recent Fault to become distributed by transfer to longitudinal thrusts and folds. To cite this article: C. Authemayou et al., C. R. Geoscience 337 (2005).

Kinetics of triscarbonato uranyl reduction by aqueous ferrous iron: a theoretical study.

PubMed

Wander, Matthew C F; Kerisit, Sebastien; Rosso, Kevin M; Schoonen, Martin A A

2006-08-10

Uranium is a pollutant whose mobility is strongly dependent on its oxidation state. While U(VI) in the form of the uranyl cation is readily reduced by a range of natural reductants, by contrast complexation of uranyl by carbonate greatly reduces its reduction potential and imposes increased electron transfer (ET) distances. Very little is known about the elementary processes involved in uranium reduction from U(VI) to U(V) to U(IV) in general. In this study, we examine the theoretical kinetics of ET from ferrous iron to triscarbonato uranyl in aqueous solution. A combination of molecular dynamics (MD) simulations and density functional theory (DFT) electronic structure calculations is employed to compute the parameters that enter into Marcus' ET model, including the thermodynamic driving forces, reorganization energies, and electronic coupling matrix elements. MD simulations predict that two ferrous iron atoms will bind in an inner-sphere fashion to the three-membered carbonate ring of triscarbonato uranyl, forming the charge-neutral ternary Fe(2)UO(2)(CO(3))(3)(H(2)O)(8) complex. Through a sequential proton-coupled electron-transfer mechanism (PCET), the first ET step converting U(VI) to U(V) is predicted by DFT to occur with an electronic barrier that corresponds to a rate on the order of approximately 1 s(-1). The second ET step converting U(V) to U(IV) is predicted to be significantly endergonic. Therefore, U(V) is a stabilized end product in this ET system, in agreement with experiment.

Cryogenic Fluid Management Facility

NASA Technical Reports Server (NTRS)

Eberhardt, R. N.; Bailey, W. J.; Symons, E. P.; Kroeger, E. W.

1984-01-01

The Cryogenic Fluid Management Facility (CFMF) is a reusable test bed which is designed to be carried into space in the Shuttle cargo bay to investigate systems and technologies required to efficiently and effectively manage cryogens in space. The facility hardware is configured to provide low-g verification of fluid and thermal models of cryogenic storage, transfer concepts and processes. Significant design data and criteria for future subcritical cryogenic storage and transfer systems will be obtained. Future applications include space-based and ground-based orbit transfer vehicles (OTV), space station life support, attitude control, power and fuel depot supply, resupply tankers, external tank (ET) propellant scavenging, space-based weapon systems and space-based orbit maneuvering vehicles (OMV). This paper describes the facility and discusses the cryogenic fluid management technology to be investigated. A brief discussion of the integration issues involved in loading and transporting liquid hydrogen within the Shuttle cargo bay is also included.

The current status and future of commercial embryo transfer in cattle.

PubMed

Hasler, John F

2003-12-15

A commercially viable cattle embryo transfer (ET) industry was established in North America during the early 1970s, approximately 80 years after the first successful embryo transfer was reported in a mammal. Initially, techniques for recovering and transferring cattle embryos were exclusively surgical. However, by the late 1970s, most embryos were recovered and transferred nonsurgically. Successful cryopreservation of embryos was widespread by the early 1980s, followed by the introduction of embryo splitting, in vitro procedures, direct transfer of frozen embryos and sexing of embryos. The wide spread adoption of ethylene glycol as a cryoprotectant has simplified the thaw-transfer procedures for frozen embryos. The number of embryos recovered annually has not grown appreciably over the last 10 years in North America and Europe; however, there has been significant growth of commercial ET in South America. Within North America, ET activity has been relatively constant in Holstein cattle, whereas there has been a large ET increase in the Angus breed and a concomitant ET decrease in some other beef breeds. Although a number of new technologies have been adopted within the ET industry in the last decade, the basic procedure of superovulation of donor cattle has undergone little improvement over the last 20 years. The export-import of frozen cattle embryos has become a well-established industry, governed by specific health regulations. The international movement of embryos is subject to sudden and dramatic disturbances, as exemplified by the 2001 outbreak of foot and mouth disease in Great Britain. It is probable that there will be an increased influence of animal rights issues on the ET industry in the future. Several companies in North America are currently commercially producing cloned cattle. The sexing of bovine semen with the use of flow cytometry is extremely accurate and moderate pregnancy rates in heifers have been achieved in field trials, but sexed semen currently is available in only a few countries and on an extremely limited basis. As of yet, all programs involving the production of transgenic cattle are experimental in nature.

Ultrafast forward and backward electron transfer dynamics of coumarin 337 in hydrogen-bonded anilines as studied with femtosecond UV-pump/IR-probe spectroscopy.

PubMed

Ghosh, Hirendra N; Verma, Sandeep; Nibbering, Erik T J

2011-02-10

Femtosecond infrared spectroscopy is used to study both forward and backward electron transfer (ET) dynamics between coumarin 337 (C337) and the aromatic amine solvents aniline (AN), N-methylaniline (MAN), and N,N-dimethylaniline (DMAN), where all the aniline solvents can donate an electron but only AN and MAN can form hydrogen bonds with C337. The formation of a hydrogen bond with AN and MAN is confirmed with steady state FT-IR spectroscopy, where the C═O stretching vibration is a direct marker mode for hydrogen bond formation. Transient IR absorption measurements in all solvents show an absorption band at 2166 cm(-1), which has been attributed to the C≡N stretching vibration of the C337 radical anion formed after ET. Forward electron transfer dynamics is found to be biexponential with time constants τ(ET)(1) = 500 fs, τ(ET)(2) = 7 ps in all solvents. Despite the presence of hydrogen bonds of C337 with the solvents AN and MAN, no effect has been found on the forward electron transfer step. Because of the absence of an H/D isotope effect on the forward electron transfer reaction of C337 in AN, hydrogen bonds are understood to play a minor role in mediating electron transfer. In contrast, direct π-orbital overlap between C337 and the aromatic amine solvents causes ultrafast forward electron transfer dynamics. Backward electron transfer dynamics, in contrast, is dependent on the solvent used. Standard Marcus theory explains the observed backward electron transfer rates.

KSC-05PD-0565

NASA Technical Reports Server (NTRS)

2005-01-01

KENNEDY SPACE CENTER, FLA. In the Vehicle Assembly Building at NASAs Kennedy Space Center, a digital still camera has been mounted in the External Tank (ET) umbilical well on the aft end of Space Shuttle Discovery. The camera is being used to obtain and downlink high-resolution images of the disconnect point on the ET following ET separation from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

KSC-05PD-0564

NASA Technical Reports Server (NTRS)

2005-01-01

KENNEDY SPACE CENTER, FLA. In the Vehicle Assembly Building at NASAs Kennedy Space Center, a worker mounts a digital still camera in the External Tank (ET) umbilical well on the aft end of Space Shuttle Discovery. The camera is being used to obtain and downlink high-resolution images of the disconnect point on the ET following the ET separation from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

KSC-05PD-0563

NASA Technical Reports Server (NTRS)

2005-01-01

KENNEDY SPACE CENTER, FLA. In the Vehicle Assembly Building at NASAs Kennedy Space Center, workers prepare a digital still camera they will mount in the External Tank (ET) umbilical well on the aft end of Space Shuttle Discovery. The camera is being used to obtain and downlink high-resolution images of the disconnect point on the ET following the ET separation from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

The yeasts phosphorelay systems: a comparative view.

PubMed

Salas-Delgado, Griselda; Ongay-Larios, Laura; Kawasaki-Watanabe, Laura; López-Villaseñor, Imelda; Coria, Roberto

2017-06-01

Cells contain signal transduction pathways that mediate communication between the extracellular environment and the cell interior. These pathways control transcriptional programs and posttranscriptional processes that modify cell metabolism in order to maintain homeostasis. One type of these signal transduction systems are the so-called Two Component Systems (TCS), which conduct the transfer of phosphate groups between specific and conserved histidine and aspartate residues present in at least two proteins; the first protein is a sensor kinase which autophosphorylates a histidine residue in response to a stimulus, this phosphate is then transferred to an aspartic residue located in a response regulator protein. There are classical and hybrid TCS, whose difference consists in the number of proteins and functional domains involved in the phosphorelay. The TCS are widespread in bacteria where the sensor and its response regulator are mostly specific for a given stimulus. In eukaryotic organisms such as fungi, slime molds, and plants, TCS are present as hybrid multistep phosphorelays, with a variety of arrangements (Stock et al. in Annu Rev Biochem 69:183-215, 2000; Wuichet et al. in Curr Opin Microbiol 292:1039-1050, 2010). In these multistep phosphorelay systems, several phosphotransfer events take place between different histidine and aspartate residues localized in specific domains present in more than two proteins (Thomason and Kay, in J Cell Sci 113:3141-3150, 2000; Robinson et al. in Nat Struct Biol 7:626-633, 2000). This review presents a brief and succinct description of the Two-component systems of model yeasts, Saccharomyces cerevisiae, Schizosaccharomyces pombe, Candida albicans, Cryptococcus neoformans and Kluyveromyces lactis. We have focused on the comparison of domain organization and functions of each component present in these phosphorelay systems.

Photoinduced electron transfer interaction of anthraquinones with aniline quenchers: Influence of methyl substitution in aniline donors

NASA Astrophysics Data System (ADS)

Sivakumar, V.; Ponnamma, Deepalekshmi; Hussein, Yasser H. A.

2017-02-01

Photoinduced electron transfer between triplet state of 9,10-anthraquinone (AQ) and its two derivatives: 2-chloro-9,10-anthraquinone (CAQ) and sodium anthraquinone-2-sulfonate (AQS) and ground state aniline (AN) and its dimethyl substitutions: 2,3-dimethylaniline (2,3-DMA), 2,6-dimethylaniline (2,6-DMA), 3,5-dimethylaniline (3,5-DMA) and N,N-dimethylaniline (N,N-DMA) is studied using nanosecond laser flash photolysis at room temperature. Detection of radical bands of quinone anions and aniline cations along with their formation and/or decay kinetics are used to confirm the electron transfer (ET) process. In MeCN medium, AN quenches the triplet state of CAQ (CAQT) but not the triplets AQT or AQST. However in aqueous medium, AN quenches AQST and forms radical ion pair. All the DMAs can react through ET with all the triplet quinones at different degrees of efficiency in MeCN medium. Noticeably, the ring substituted DMAs are less efficient in electron donation to AQT or AQST while the N,N-DMA shows high efficiency in donating electron to all triplet quinones in MeCN medium. Charge distribution of donor molecules, in MeCN medium is calculated using density functional theory (DFT), and shows an enhancement of electron density of the ring of N,N-DMA, making it an ideal electron donor for ET studies compared to other DMAs. This systematic selection and usage of anilines with electrochemically tunable quinones can be viewed as a working model of donor-acceptor system that can be utilized in photoinduced ET applications.

Factors affecting the efficiency of embryo transfer in the domestic ferret (Mustela putorius furo).

PubMed

Li, Ziyi; Sun, Xingshen; Chen, Juan; Leno, Gregory H; Engelhardt, John F

2006-07-15

Embryo transfer (ET) to recipient females is a foundational strategy for a number of assisted reproductive technologies, including cloning by somatic cell nuclear transfer. In an attempt to develop efficient ET in domestic ferrets, factors affecting development of transferred embryo were investigated. Unilateral and bilateral transfer of zygotes or blastocysts in the oviduct or uterus was evaluated in recipient nulliparous or primiparous females. Developing fetuses were collected from recipient animals 21 days post-copulation and examined. The percentage of fetal formation was different (P<0.05) for unilateral and bilateral transfer of zygotes (71%) in nulliparous females with bilateral transfer (56%) in primiparous recipients. The percentage (90%) of fetal formation in nulliparous recipients following unilateral transfer of blastocysts was higher (P<0.05) than that observed in primiparous recipients with bilateral ET (73%). Notably, the percentage of fetal formation was higher (P<0.05) when blastocyts were transferred as compared to zygotes (90% versus 71%). Transuterine migration of embryos occurred following all unilateral transfers and also in approximately 50% of bilateral transfers with different number of embryos in each uterine horn. These data will help to facilitate the development of assisted reproductive strategies in the ferret and could lead to the use of this species for modeling human disease and for conservation of the endangered Mustelidae species such as black-footed ferret and European mink.

Factors affecting the efficiency of embryo transfer in the domestic ferret (Mustela putorius furo)

PubMed Central

Li, Ziyi; Sun, Xingshen; Chen, Juan; Leno, Gregory H.; Engelhardt, John F.

2007-01-01

Embryo transfer (ET) to recipient females is a foundational strategy for a number of assisted reproductive technologies, including cloning by somatic cell nuclear transfer. In an attempt to develop efficient ET in domestic ferrets, factors affecting development of transferred embryo were investigated. Unilateral and bilateral transfer of zygotes or blastocysts in the oviduct or uterus was evaluated in recipient nulliparous or primiparous females. Developing fetuses were collected from recipient animals 21 days post-copulation and examined. The percentage of fetal formation was different (P < 0.05) for unilateral and bilateral transfer of zygotes (71%) in nulliparous females with bilateral transfer (56%) in primiparous recipients. The percentage (90%) of fetal formation in nulliparous recipients following unilateral transfer of blastocysts was higher (P < 0.05) than that observed in primiparous recipients with bilateral ET (73%). Notably, the percentage of fetal formation was higher (P < 0.05) when blastocyts were transferred as compared to zygotes (90% versus 71%). Transuterine migration of embryos occurred following all unilateral transfers and also in approximately 50% of bilateral transfers with different number of embryos in each uterine horn. These data will help to facilitate the development of assisted reproductive strategies in the ferret and could lead to the use of this species for modeling human disease and for conservation of the endangered Mustelidae species such as black-footed ferret and European mink. PMID:16330092

10 CFR 1000.1 - Transfer of proceedings.

Code of Federal Regulations, 2013 CFR

2013-01-01

... those matters within his jurisdiction: (i) El Paso Eastern Co., et al., Docket No. CP 77-330, et al. (ii) Tenneco Atlantic Pipeline Co., et al., Docket No. CP 77-100, et al. (iii) Distrigas of Massachusetts Corp., et al., Docket No. CP 70-196, et al. (iv) Distrigas of Massachusetts Corp., et al., Docket No. CP 77...

10 CFR 1000.1 - Transfer of proceedings.

Code of Federal Regulations, 2014 CFR

2014-01-01

... those matters within his jurisdiction: (i) El Paso Eastern Co., et al., Docket No. CP 77-330, et al. (ii) Tenneco Atlantic Pipeline Co., et al., Docket No. CP 77-100, et al. (iii) Distrigas of Massachusetts Corp., et al., Docket No. CP 70-196, et al. (iv) Distrigas of Massachusetts Corp., et al., Docket No. CP 77...

10 CFR 1000.1 - Transfer of proceedings.

Code of Federal Regulations, 2011 CFR

2011-01-01

... those matters within his jurisdiction: (i) El Paso Eastern Co., et al., Docket No. CP 77-330, et al. (ii) Tenneco Atlantic Pipeline Co., et al., Docket No. CP 77-100, et al. (iii) Distrigas of Massachusetts Corp., et al., Docket No. CP 70-196, et al. (iv) Distrigas of Massachusetts Corp., et al., Docket No. CP 77...

10 CFR 1000.1 - Transfer of proceedings.

Code of Federal Regulations, 2012 CFR

2012-01-01

... those matters within his jurisdiction: (i) El Paso Eastern Co., et al., Docket No. CP 77-330, et al. (ii) Tenneco Atlantic Pipeline Co., et al., Docket No. CP 77-100, et al. (iii) Distrigas of Massachusetts Corp., et al., Docket No. CP 70-196, et al. (iv) Distrigas of Massachusetts Corp., et al., Docket No. CP 77...

Economic and genetic performance of various combinations of in vitro-produced embryo transfers and artificial insemination in a dairy herd.

PubMed

Kaniyamattam, Karun; Block, Jeremy; Hansen, Peter J; De Vries, Albert

2018-02-01

The objective of this study was to find the optimal proportions of pregnancies from an in vitro-produced embryo transfer (IVP-ET) system and artificial insemination (AI) so that profitability is maximized over a range of prices for embryos and surplus dairy heifer calves. An existing stochastic, dynamic dairy model with genetic merits of 12 traits was adapted for scenarios where 0 to 100% of the eligible females in the herd were impregnated, in increments of 10%, using IVP-ET (ET0 to ET100, 11 scenarios). Oocytes were collected from the top donors selected for the trait lifetime net merit (NM$) and fertilized with sexed semen to produce IVP embryos. Due to their greater conception rates, first ranked were eligible heifer recipients based on lowest number of unsuccessful inseminations or embryo transfers, and then on age. Next, eligible cow recipients were ranked based on the greatest average estimated breeding values (EBV) of the traits cow conception rate and daughter pregnancy rate. Animals that were not recipients of IVP embryos received conventional semen through AI, except that the top 50% of heifers ranked for EBV of NM$ were inseminated with sexed semen for the first 2 AI. The economically optimal proportions of IVP-ET were determined using sensitivity analysis performed for 24 price sets involving 6 different selling prices of surplus dairy heifer calves at approximately 105 d of age and 4 different prices of IVP embryos. The model was run for 15 yr after the start of the IVP-ET program for each scenario. The mean ± standard error of true breeding values of NM$ of all cows in the herd in yr 15 was greater by $603 ± 2 per cow per year for ET100 when compared with ET0. The optimal proportion of IVP-ET ranged from ET100 (for surplus dairy heifer calves sold for ≥$300 along with an additional premium based on their EBV of NM$ and a ≤$100 embryo price) to as low as ET0 (surplus dairy heifer calves sold at $300 with a $200 embryo price). For the default assumptions, the profit/cow in yr 15 was greater by $337, $215, $116, and $69 compared with ET0 when embryo prices were $50, $100, $150, and $200. The optimal use of IVP-ET was 100, 100, 62, and 36% of all breedings for these embryo prices, respectively. At the input price of $165 for an IVP embryo, the difference in the net present value of yr 15 profit between ET40 (optimal scenario) and ET0 was $33 per cow. In conclusion, some use of IVP-ET was profitable for a wide range of IVP-ET prices and values of surplus dairy heifer calves. Copyright © 2018 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Effect of oscillation dynamics on long-range electron transfer in a helical peptide monolayer.

PubMed

Matsushita, Daisuke; Uji, Hirotaka; Kimura, Shunsaku

2018-06-06

Electron transfer (ET) reactions via helical peptides composed of -(Aib-Pro)n- were studied in self-assembled monolayers and compared with -(Ala-Aib)n- peptides. Short Aib-Pro peptides showed slightly higher ET rates due to the better electronic coupling of the Pro residue. But, the 24mer Aib-Pro peptide showed a smaller ET rate than the corresponding Ala-Aib peptide. On the basis of DFT calculations, the deceleration of the ET rate of the longer Aib-Pro peptide is considered to be due to the smaller number of active modes of accordion-like oscillations than the Ala-Aib peptide, which has a strong influence on a long-range ET reaction.

Photoinduced electron transfer in rigidly linked dimethoxynapthalene-N-methylpyridinium donor-acceptor molecules

NASA Astrophysics Data System (ADS)

Clayton, Andrew H. A.; Ghiggino, Kenneth P.; Wilson, Gerard J.; Keyte, Peter J.; Paddon-Row, Michael N.

1992-07-01

Photoinduced electron transfer (ET) is studied in a series of novel molecules containing a dimethoxynaphthalene (DMN) donor and either a pyridine (P) or N-methylpyridinium (P-Me +) acceptor covalently linked via a rigid nonbornalogous bridge ( n sigma bonds in length). ET rates of the order of 10 10 s -1 were measured for the DMN- n-P-Me + series ( n = 4, 6), while no appreciable ET was observed for the DMN- n-P compounds. Electronic and nuclear factors are discussed and the results rationalized in terms of Marcus—Hush and non-adiabatic ET theories.

Géométrie et cinématique post-oligocène des failles d'Aix et de la moyenne Durance (Provence, France)

NASA Astrophysics Data System (ADS)

Guignard, Pierre; Bellier, Olivier; Chardon, Dominique

2005-02-01

The southern termination of the left-lateral 'Moyenne Durance' Fault (FMD) consists in several segments, some being connected to WSW-trending south-verging reverse faults. To the south, the Aix fault is reactivated in a post-Oligocene strike-slip movement showing that these two faults might belong to the same system. This system seems to transfer, in turn, slip to the east-trending, south-verging Trévaresse reverse fault, allowing southward propagation of the Alpine deformation front in western Provence. Fault kinematics analysis shows lateral stress field change between the two faults. Strike-slip stress state is characterized by an average N150°E trending σ1 near the FMD termination, whilst strike-slip and reverse faulting stress states show north-trending σ to the south. To cite this article: P. Guignard et al., C. R. Geoscience 337 (2005).

Measuring evapotranspiration using an eddy covariance system over the Albany Thicket of the Eastern Cape, South Africa

NASA Astrophysics Data System (ADS)

Gwate, O.; Mantel, Sukhmani K.; Palmer, Anthony R.; Gibson, Lesley A.

2016-10-01

Determining water and carbon fluxes over a vegetated surface is important in a context of global environmental changes and the fluxes help in understanding ecosystem functioning. Pursuant to this, the study measured evapotranspiration (ET) using an eddy covariance (EC) system installed over an intact example of the Albany Thicket (AT) vegetation in the Eastern Cape, South Africa. Environmental constraints to ET were also assessed by examining the response of ET to biotic and abiotic factors. The EC system comprised of an open path Infrared Gas Analyser and Sonic anemometer and an attendant weather station to measure bi-meteorological variables. Post processing of eddy covariance data was conducted using EddyPro software. Quality assessment of fluxes was also performed and rejected and missing data were filled using the method of mean diurnal variations (MDV). Much of the variation in ET was accounted for by the leaf area index (LAI, p < 0.001, 41%) and soil moisture content (SWC, p < 0.001, 32%). Total measured ET during the experiment was greater than total rainfall received owing to the high water storage capacity of the vegetation and the possibility of vegetation accessing ground water. Most of the net radiation was consumed by sensible heat flux and this means that ET in the area is essentially water limited since abundant energy was available to drive turbulent transfers of energy. Understanding the environmental constraints to ET is crucial in predicting the ecosystem response to environmental forces such as climate change.

8. Innovative Technologies: Two-Phase Heat Transfer in Water-Based Nanofluids for Nuclear Applications Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buongiorno, Jacopo; Hu, Lin-wen

2009-07-31

Nanofluids are colloidal dispersions of nanoparticles in water. Many studies have reported very significant enhancement (up to 200%) of the Critical Heat Flux (CHF) in pool boiling of nanofluids (You et al. 2003, Vassallo et al. 2004, Bang and Chang 2005, Kim et al. 2006, Kim et al. 2007). These observations have generated considerable interest in nanofluids as potential coolants for more compact and efficient thermal management systems. Potential Light Water Reactor applications include the primary coolant, safety systems and severe accident management strategies, as reported in other papers (Buongiorno et al. 2008 and 2009). However, the situation of interestmore » in reactor applications is often flow boiling, for which no nanofluid data have been reported so far. In this project we investigated the potential of nanofluids to enhance CHF in flow boiling. Subcooled flow boiling heat transfer and CHF experiments were performed with low concentrations of alumina, zinc oxide, and diamond nanoparticles in water (≤ 0.1 % by volume) at atmospheric pressure. It was found that for comparable test conditions the values of the nanofluid and water heat transfer coefficient (HTC) are similar (within ±20%). The HTC increased with mass flux and heat flux for water and nanofluids alike, as expected in flow boiling. The CHF tests were conducted at 0.1 MPa and at three different mass fluxes (1500, 2000, 2500 kg/m2s) under subcooled conditions. The maximum CHF enhancement was 53%, 53% and 38% for alumina, zinc oxide and diamond, respectively, always obtained at the highest mass flux. A post-mortem analysis of the boiling surface reveals that its morphology is altered by deposition of the particles during nanofluids boiling. A confocal-microscopy-based examination of the test section revealed that nanoparticles deposition not only changes the number of micro-cavities on the surface, but also the surface wettability. A simple model was used to estimate the ensuing nucleation site density changes, but no definitive correlation between the nucleation site density and the heat transfer coefficient data could be found. Wettability of the surface was substantially increased for heater coupons boiled in alumina and zinc oxide nanofluids, and such wettability increase seems to correlate reasonably well with the observed marked CHF enhancement for the respective nanofluids. Interpretation of the experimental data was conducted in light of the governing surface parameters (surface area, contact angle, roughness, thermal conductivity) and existing models. It was found that no single parameter could explain the observed HTC or CHF phenomena.« less

PSR J0751+1807: un ajuste a los parámetros característicos del sistema binario

NASA Astrophysics Data System (ADS)

De Vito, M. A.; Benvenuto, O. G.

PSR J0751+1807 is a millisecond pulsar belonging to a binary system with a low mass white dwarf companion. This system belongs to the group of recycled pulsars by mass transfer from a close companion, accelerating the pulsar rotation in this process. The orbital period for the system is of 6 hours. In this work we show our fit to the characteristic parameters of the system presented by Nice et al. (2005) FULL TEXT IN SPANISH

Government-Sponsored Research and Development Efforts in the Area of Intelligent Tutoring Systems. Summary Report.

DTIC Science & Technology

1995-02-01

modeling a personal trainer MASA training through development and .-chnology ICAT applications, VR-training applications, and technology transfer to...Scholas- tic Aptitude Tests, the average score of ITS-tutored students was 410, compared with an average of 380 for non-ITS users [Anderson et al. 1994

Chemical dynamics of the first proton-coupled electron transfer of water oxidation on TiO2 anatase.

PubMed

Chen, Jia; Li, Ye-Fei; Sit, Patrick; Selloni, Annabella

2013-12-18

Titanium dioxide (TiO2) is a prototype, water-splitting (photo)catalyst, but its performance is limited by the large overpotential for the oxygen evolution reaction (OER). We report here a first-principles density functional theory study of the chemical dynamics of the first proton-coupled electron transfer (PCET), which is considered responsible for the large OER overpotential on TiO2. We use a periodic model of the TiO2/water interface that includes a slab of anatase TiO2 and explicit water molecules, sample the solvent configurations by first principles molecular dynamics, and determine the energy profiles of the two electronic states involved in the electron transfer (ET) by hybrid functional calculations. Our results suggest that the first PCET is sequential, with the ET following the proton transfer. The ET occurs via an inner sphere process, which is facilitated by a state in which one electronic hole is shared by the two oxygen ions involved in the transfer.

Validation of GOSAT XCO2 and XCH4 retrieved by PPDF-S method and evaluation of sensitivity of aerosols to gas concentrations

NASA Astrophysics Data System (ADS)

Iwasaki, C.; Imasu, R.; Bril, A.; Yokota, T.; Yoshida, Y.; Morino, I.; Oshchepkov, S.; Rokotyan, N.; Zakharov, V.; Gribanov, K.

2017-12-01

Photon path length probability density function-Simultaneous (PPDF-S) method is one of effective algorithms for retrieving column-averaged concentrations of carbon dioxide (XCO2) and methane (XCH4) from Greenhouse gases Observing SATellite (GOSAT) spectra in Short Wavelength InfraRed (SWIR) [Oshchepkov et al., 2013]. In this study, we validated XCO2 and XCH4 retrieved by the PPDF-S method through comparison with the Total Carbon Column Observing Network (TCCON) data [Wunch et al., 2011] from 26 sites including additional site of the Ural Atmospheric Station at Kourovka [57.038°N and 59.545°E], Russia. Validation results using TCCON data show that bias and its standard deviation of PPDF-S data are respectively 0.48 and 2.10 ppm for XCO2, and -0.73 and 15.77 ppb for XCH4. The results for XCO2 are almost identical with those of Iwasaki et al. [2017] for which the validation data were limited at selected 11 sites. However, the bias of XCH4 shows opposite sign against that of Iwasaki et al. [2017]. Furthermore, the data at Kourouvka showed different features particularly for XCH4. In order to investigate the causes for the differences, we have carried out simulation studies mainly focusing on the effects of aerosols which modify the light path length of solar radiation [O'Brien and Rayner, 2002; Aben et al., 2007; Oshchepkov et al., 2008]. Based on the simulation studies using multiple radiation transfer code based on Discrete Ordinate Method (DOM), Polarization System for Transfer of Atmospheric Radiation3 (Pstar3) [Ota et al., 2010], sensitivity of aerosols to gas concentrations was examined.

Directing Energy Transfer in Panchromatic Platinum Complexes for Dual Vis-Near-IR or Dual Visible Emission from σ-Bonded BODIPY Dyes.

PubMed

Geist, Fabian; Jackel, Andrej; Irmler, Peter; Linseis, Michael; Malzkuhn, Sabine; Kuss-Petermann, Martin; Wenger, Oliver S; Winter, Rainer F

2017-01-17

We report on the platinum complexes trans-Pt(BODIPY)(8-ethynyl-BODIPY)(PEt 3 ) 2 (EtBPtB) and trans-Pt(BODIPY)(4-ethynyl-1,8-naphthalimide)(PR 3 ) 2 (R = Et, EtNIPtB-1; R = Ph, EtNIPtB-2), which all contain two different dye ligands that are connected to the platinum atom by a direct σ bond. The molecular structures of all complexes were established by X-ray crystallography and show that the different dye ligands are in either a coplanar or an orthogonal arrangement. π-stacking and several CH···F and short CH···π interactions involving protons at the phosphine substituents lead to interesting packing motifs in the crystal. The complexes feature several strong absorptions (ε = 3.2 × 10 5 -5.5 × 10 5 M -1 cm -1 ) that cover the regime from 350 to 480 nm (EtNIPtB-1 and EtNIPtB-2) or from 350 to 580 nm (EtBPtB). Besides the typical absorption bands of both kinds of attached dyes, they also feature an intense band near 400-420 nm, which is assigned by time-dependent density functional theory calculations to a higher-energy transition within the ethynyl-BODIPY (EtB) ligand or to charge transfer between the BODIPY (B) and naphthalimide (NI) chromophores. All complexes show dual fluorescence and phosphorescence emission from either the B (EtNIPtB-1 and EtNIPtB-2) or EtB (EtBPtB) ligand with a maximum phosphorescence quantum yield of 41% for EtNIPtB-1. The latter seems to be the highest reported value for room temperature phosphorescence from a BODIPY dye. The complete quenching of the emission from the chromophore absorbing at the higher energy and the appearance of the corresponding absorption bands in the fluorescence and phosphorescence excitation spectra indicate complete and rapid energy transfer to the chromophore with the lower-energy excited state, i.e., EtNI → B in EtNIPtB-1 and EtNIPtB-2 and B → EtB in EtBPtB. The latter process was further investigated by transient absorption spectroscopy, indicating that energy transfer is complete within 0.6 ns. EtNIPtB-1 catalyzes the photooxidation of 1,5-dihydroxynaphthalene with photogenerated 1 O 2 to Juglone at a much faster rate than methylene blue but with only modest quantum yields of 37% and with the onset of photodegradation after 60 min.

18 CFR 375.104 - Transfer of proceedings from other agencies to the Commission.

Code of Federal Regulations, 2013 CFR

2013-04-01

... those matters within his jurisdiction: (i) El Paso Eastern Co., et al., Docket No. CP 77-330, et al. (ii) Tenneco Atlantic Pipeline Co., et al., Docket No. CP 77-100, et al. (iii) Distrigas of Massachusetts Corp., et al., Docket No. CP 70-196, et al. (iv) Distrigas of Massachusetts Corp., et al., Docket No. CP 77...

18 CFR 375.104 - Transfer of proceedings from other agencies to the Commission.

Code of Federal Regulations, 2014 CFR

2014-04-01

... those matters within his jurisdiction: (i) El Paso Eastern Co., et al., Docket No. CP 77-330, et al. (ii) Tenneco Atlantic Pipeline Co., et al., Docket No. CP 77-100, et al. (iii) Distrigas of Massachusetts Corp., et al., Docket No. CP 70-196, et al. (iv) Distrigas of Massachusetts Corp., et al., Docket No. CP 77...

18 CFR 375.104 - Transfer of proceedings from other agencies to the Commission.

Code of Federal Regulations, 2012 CFR

2012-04-01

... those matters within his jurisdiction: (i) El Paso Eastern Co., et al., Docket No. CP 77-330, et al. (ii) Tenneco Atlantic Pipeline Co., et al., Docket No. CP 77-100, et al. (iii) Distrigas of Massachusetts Corp., et al., Docket No. CP 70-196, et al. (iv) Distrigas of Massachusetts Corp., et al., Docket No. CP 77...

Blastocyst transfer does not improve cycle outcome as compared to D3 transfer in antagonist cycles with an elevated progesterone level on the day of hCG.

PubMed

Demirel, Cem; Aydoğdu, Serkan; Özdemir, Arzu İlknur; Keskin, Gülşah; Baştu, Ercan; Buyru, Faruk

2017-09-01

To evaluate the association between progesterone elevation on the day of human chorionic gonadotropin (hCG) administration and clinical pregnancy rates of gonadotropin-releasing hormone (GnRH) antagonist in vitro fertilization/intracytoplasmic sperm injection (IVF/ICSI) cycles with the transfer of embryos at different developmental stages (day-3 versus day-5 ETs). This is a retrospective analysis of fresh IVF/ICSI; 194 cycles out of 2676 conducted in a single center. A total of 2676 cycles were analyzed, of which 386 had no progesterone measurements available. Two hundred eighteen cycles had progesterone elevation (p>1.5 ng/mL) giving an overall incidence of 9.5%. Twenty-four cycles were excluded from further analysis. Of the remaining 194 cycles, 151 had day-3 transfers and 43 had blastocyst transfers. There was no statistically significant difference in pregnancy and clinical pregnancy rates per transfer between the D3-ET and D5-ET groups (46% vs. 49%, and 39% vs. 35%, respectively). The results of this study suggest that blastocyst transfer does not improve cycle outcomes compared with D3 transfer in GnRH antagonist cycles with an elevated progesterone level on the day of hCG.

Transfer of Problem Solving Skills from Touchscreen to 3D Model by 3- to 6-Year-Olds

PubMed Central

Tarasuik, Joanne; Demaria, Ana; Kaufman, Jordy

2017-01-01

Although much published research purports that young children struggle to solve problems from screen-based media and to transfer learning from a virtual to a physical modality, Huber et al. (2016)’s recent study on children solving the Tower of Hanoi (ToH) problem on a touchscreen app offers a clear counter example. Huber et al. (2016) reported that children transferred learning from media to the physical world. As this finding arguably differs from that of prior research in this area, the current study tests whether the Huber et al. (2016) results could be replicated. Additionally, we extended the scope of the Huber et al. (2016) work by testing a broader age range, including children as young as 3 years, and using a culturally distinct participant pool. The results of the current study verified Huber et al.’s (2016) conclusion that 4- to 6-year-old children are capable of transferring the ToH learning from touchscreen devices to the physical version of the puzzle. Children under 4 years of age, in contrast, showed little ability to improve at the ToH problem regardless of the practice modality—suggesting that a different problem-solving task is required to probe very young children’s ability to learn from touchscreen apps. PMID:28979222

A new conceptual framework for water and sediment connectivity

NASA Astrophysics Data System (ADS)

Keesstra, Saskia; Cerdà, Artemi; Parsons, Tony; Nunes, Joao Pedro; Saco, Patricia

2016-04-01

For many years scientists have tried to understand, describe and quantify sediment transport on multiple scales; from the geomorphological work triggered by a single thunderstorm to the geological time scale land scape evolution, and from particles and soil aggregates up to the continental scale. In the last two decades, a new concept called connectivity (Baartman et al., 2013; Bracken et al., 2013, 2015; Parsons et al., 2015) has been used by the scientific community to describe the connection between the different scales at which the sediment redistribution research along the watershed are being studied: pedon, slope tram, slope, watersheds, and basins. This concept is seen as a means to describe and quantify the results of processes influencing the transport of sediment on all these scales. Therefore the concept of connectivity and the way scales are used in the design of a measurement and monitoring scheme are interconnected (Cerdà et al., 2012), which shows that connectivity is not only a tool for process understanding, but also a tool to measure processes on multiple scales. This research aims to describe catchment system dynamics from a connectivity point of view. This conceptual framework can be helpful to look at catchment systems and synthesize which data are necessary to take into account when measuring or modelling water and sediment transfer in catchment systems, Identifying common patterns and generalities will help discover physical reasons for differences in responses and interaction between these processes. We describe a conceptual framework which is meant to bring a better understanding of the system dynamics of a catchment in terms of water and sediment transfer by breaking apart the system dynamics in stocks (the system state at a given moment) and flows (the system fluxes). Breaking apart the internal system dynamics that determine the behaviour of the catchment system is in our opinion a way to bring a better insight into the concepts of hydrological and sediment connectivity as described in previous research by Bracken et al (2013, 2015). By looking at the individual parts of the system, it becomes more manageable and less conceptual, which is important because we have to indicate where the research on connectivity should focus on. With this approach, processes and feedbacks in the catchment system can be pulled apart to study separately, making the system understandable and measureable, which will enable parameterization of models with actual measured data. The approach we took in describing water and sediment transfer is to first assess how they work in a system in dynamic equilibrium. After describing this, an assessment is made of how such dynamic equilibriums can be taken out of balance by an external push. Baartman, J.E.M., Masselink, R.H., Keesstra, S.D., Temme, A.J.A.M., 2013. Linking landscape morphological complexity and sediment connectivity. Earth Surface Processes and Landforms 38: 1457-1471. Bracken, L.J., Wainwright, J., Ali, G.A., Tetzlaff, D., Smith, M.W., Reaney, S.M., and Roy, A.G. 2013. Concepts of hydrological connectivity: research approaches, pathways and future agendas. Earth Science Reviews, 119, 17-34. Bracken, L.J., Turnbull, L, Wainwright, J. and Boogart, P. Submitted. Sediment Connectivity: A Framework for Understanding Sediment Transfer at Multiple Scales. Earth Surface Processes and Landforms. Cerdà, A., Brazier, R., Nearing, M., and de Vente, J. 2012. scales and erosion. Catena, 102, 1-2. doi:10.1016/j.catena.2011.09.006 Parsons A.J., Bracken L., Peoppl , R., Wainwright J., Keesstra, S.D., 2015. Editorial: Introduction to special issue on connectivity in water and sediment dynamics. In press in Earth Surface Processes and Landforms. DOI: 10.1002/esp.3714

Local geological dust in the area of Rome (Italy): linking mineral composition, size distribution and optical properties to radiative transfer modelling

NASA Astrophysics Data System (ADS)

Pietrodangelo, Adriana; Salzano, Roberto; Bassani, Cristiana; Pareti, Salvatore; Perrino, Cinzia

2015-04-01

Airborne mineral dust plays a key role in the energy balance of the Earth - atmosphere coupled system. The microphysical and optical properties of dust drive the direct radiative effects and are in turn influenced by the dust mineralogical composition. The latter varies largely, depending on the geology of the source region. Knowledge gaps still exist about relationships between the scattering and absorption of solar and terrestrial radiation by mineral dust and its mineralogical, size distribution and particle morphology features; this also affects the reliability of radiative transfer (RT) modelling estimates (Hansell et al., 2011). In this study, these relationships were investigated focusing on the crustal suspended PM10 dust, sourced from outcropping rocks of the local geological domains around Rome (Latium, Italy). The mineral composition variability of the Latium rocks ranges from the silicate-dominated (volcanics domain) to the calcite-dominated (travertine), through lithological materials composed in different proportions by silicates, silica and calcite, mainly (limestone series, siliciclastic series) (Cosentino et al., 2009). This peculiarity of the Latium region was thus exploited to investigate the behavior of the size distribution, optical properties and radiative transfer at BOA (Bottom Of Atmosphere) of the suspended dust PM10 fraction with the variability of mineral composition. Elemental source profiles of the same dust samples were previously determined (Pietrodangelo et al., 2013). A multi-faceted analysis was performed, and outcomes from the following approaches were merged: individual-particle scanning electron microscopy combined with X-ray energy-dispersive microanalysis (SEM XEDS), bulk mineralogical analysis by X-ray diffraction (XRD), size distribution fit of the individual-particle data set and modelling of the dust optical and radiative properties. To this aim, the 6SV atmospheric radiative transfer code (Kotchenova et al., 2008; Vermote et al., 1997) was employed, which computes aerosol optical properties (single-scattering albedo, asymmetry parameter, extinction coefficient, scattering coefficient, phase function) by the Mie Theory, and simulates the downward flux at BOA (FdBOA) by solving the radiative transfer equation. Conditions of dryness and of spherical particle shape were applied to all parts of this work. The size distribution fitting to the log-normal function appears unimodal, both for the volcanics and travertine domains, the first showing coarser mode than the latter. Volume distributions of quartz, feldspar, kaolinite and calcite fall in the coarse fraction, showing maximum around 5µm (aerodynamic diameter); differences in the curve height suggest particle density variety among mineral species. The single-scattering albedo highlights the weak absorption of travertine, with respect to volcanics, along the visible and Near-InfraRed (NIR) spectral domain. The asymmetry parameter indicates that the volcanics dust appears composed by particles with highly forward scattering, mainly in the Near-InfraRed (NIR) spectral domain, while the travertine shows more isotropic particles. Finally, both volcanics and travertine dusts leave the direct component of FdBOA unchanged, while the diffuse component depends strongly on the mineral composition. Hansell, R.A., et al. (2011), Atmos. Chem. Phys. Cosentino, D., et al. (2009), Quaternary Research Pietrodangelo, A., et al. (2013), Atmos. Env. Kotchenova, S.Y., et al. (2008), Appl. Optics Vermote, E.F., et al. (1997), IEEE Trans. Geosci. Remote Sens.

KSC-04PD-1812

NASA Technical Reports Server (NTRS)

2004-01-01

KENNEDY SPACE CENTER, FLA. In the Orbiter Processing Facility, United Space Alliance worker Craig Meyer fits an External Tank (ET) digital still camera in the right-hand liquid oxygen umbilical well on Space Shuttle Atlantis. NASA is pursuing use of the camera, beginning with the Shuttles Return To Flight, to obtain and downlink high-resolution images of the ET following separation of the ET from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

KSC-04PD-1813

NASA Technical Reports Server (NTRS)

2004-01-01

KENNEDY SPACE CENTER, FLA. In the Orbiter Processing Facility, an External Tank (ET) digital still camera is positioned into the right-hand liquid oxygen umbilical well on Space Shuttle Atlantis to determine if it fits properly. NASA is pursuing use of the camera, beginning with the Shuttles Return To Flight, to obtain and downlink high-resolution images of the ET following separation of the ET from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

KSC-04pd1813

NASA Image and Video Library

2004-09-17

KENNEDY SPACE CENTER, FLA. - In the Orbiter Processing Facility, an External Tank (ET) digital still camera is positioned into the right-hand liquid oxygen umbilical well on Space Shuttle Atlantis to determine if it fits properly. NASA is pursuing use of the camera, beginning with the Shuttle’s Return To Flight, to obtain and downlink high-resolution images of the ET following separation of the ET from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

KSC-04pd1812

NASA Image and Video Library

2004-09-17

KENNEDY SPACE CENTER, FLA. - In the Orbiter Processing Facility, United Space Alliance worker Craig Meyer fits an External Tank (ET) digital still camera in the right-hand liquid oxygen umbilical well on Space Shuttle Atlantis. NASA is pursuing use of the camera, beginning with the Shuttle’s Return To Flight, to obtain and downlink high-resolution images of the ET following separation of the ET from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

A new name and seventeen new combinations in the Magnolia (Magnoliaceae) of China and Vietnam.

PubMed

Callaghan, Chris; Png, Siak-Khoon Sk

2013-12-01

A new name is proposed and seventeen new combinations are made as a result of the previous reduction of the remaining genera of subfamily Magnolioideae (Magnoliaceae) into the genus Magnolia. The replacement name Magnolia fansipanensis is proposed for Manglietia crassifolia Q. N. Vu et al., since its transfer to Magnolia would create an illegitimate later homonym of the fossil name M. crassifolia Göpp. A further 17 new combinations are made to transfer the following taxa to Magnolia: Manglietia guangzhouensis A. Q. Dong et al., M. kaifui Q. W. Zeng & X. M. Hu, M. lawii N. H. Xia & W. F. Liao, plus Michelia concinna H. Jiang & E. D. Liu, M. jianfenglingensis G. A. Fu & K. Pan, M. viridipetala Y. W. Law et al., M. wuzhishangensis G. A. Fu & K. Pan, M. xianianhei Q. N. Vu and Yulania carnosa D. L. Fu & D. L. Zhang, Y. cuneatofolia T. B. Chao (probably Zhao) et al., Y. dabieshanensis T. B. Zhao et al., Y. dimorpha T. B. Zhao & Z. X. Chen, Y. fragarigynandria T. B. Zhao et al., Y. shirenshanensis D. L. Fu & T. B. Zhao, Y. shizhenii D. L. Fu & F. W. Li, Y. verrucata D. L. Fu et al. and Y. xinyangensis T. B. Zhao et al. The transfer of the above taxa to Magnolia is necessary following the present almost universal recognition of Magnolioideae as one of two monogeneric subfamilies within Magnoliaceae.

Electronic coupling in long-range electron transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Newton, M.D.

1996-12-31

One of the quantities crucial in controlling electron transfer (et) kinetics is the donor/acceptor electronic coupling integral (HDA). Recent theoretical models for HDA will be presented, and the results of ab initio computational implementation will be reported and analyzed for several metal-to-metal ligand charge transfer processes in complex molecular aggregates. New procedures for defining diabatic states, including a generalization of the Mulliken-Hush model, allow applications to optical and excited state as well as ground state et in a many-state framework.

Species differences in unlocking B-side electron transfer in bacterial reaction centers

DOE PAGES

Dylla, Nicholas P.; Faries, Kaitlyn M.; Wyllie, Ryan M.; ...

2016-06-21

The structure of the bacterial photosynthetic reaction center (RC) reveals symmetry-related electron transfer (ET) pathways, but only one path is used in native RCs. Analogous mutations have been made in two Rhodobacter (R.) species. A glutamic acid at position 133 in the M subunit increases transmembrane charge separation via the naturally inactive (B-side) path through impacts on primary ET in mutant R. sphaeroidesRCs. Prior work showed that the analogous substitution in the R. capsulatusRC also increases B-side activity, but mainly affects secondary ET. Finally, the overall yields of transmembrane ET are similar, but enabled in fundamentally different ways.

Species differences in unlocking B-side electron transfer in bacterial reaction centers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dylla, Nicholas P.; Faries, Kaitlyn M.; Wyllie, Ryan M.

The structure of the bacterial photosynthetic reaction center (RC) reveals symmetry-related electron transfer (ET) pathways, but only one path is used in native RCs. Analogous mutations have been made in two Rhodobacter (R.) species. A glutamic acid at position 133 in the M subunit increases transmembrane charge separation via the naturally inactive (B-side) path through impacts on primary ET in mutant R. sphaeroidesRCs. Prior work showed that the analogous substitution in the R. capsulatusRC also increases B-side activity, but mainly affects secondary ET. Finally, the overall yields of transmembrane ET are similar, but enabled in fundamentally different ways.

Photoinduced electron transfer interaction of anthraquinones with aniline quenchers: Influence of methyl substitution in aniline donors.

PubMed

Sivakumar, V; Ponnamma, Deepalekshmi; Hussein, Yasser H A

2017-02-15

Photoinduced electron transfer between triplet state of 9,10-anthraquinone (AQ) and its two derivatives: 2-chloro-9,10-anthraquinone (CAQ) and sodium anthraquinone-2-sulfonate (AQS) and ground state aniline (AN) and its dimethyl substitutions: 2,3-dimethylaniline (2,3-DMA), 2,6-dimethylaniline (2,6-DMA), 3,5-dimethylaniline (3,5-DMA) and N,N-dimethylaniline (N,N-DMA) is studied using nanosecond laser flash photolysis at room temperature. Detection of radical bands of quinone anions and aniline cations along with their formation and/or decay kinetics are used to confirm the electron transfer (ET) process. In MeCN medium, AN quenches the triplet state of CAQ (CAQ T ) but not the triplets AQ T or AQS T . However in aqueous medium, AN quenches AQS T and forms radical ion pair. All the DMAs can react through ET with all the triplet quinones at different degrees of efficiency in MeCN medium. Noticeably, the ring substituted DMAs are less efficient in electron donation to AQ T or AQS T while the N,N-DMA shows high efficiency in donating electron to all triplet quinones in MeCN medium. Charge distribution of donor molecules, in MeCN medium is calculated using density functional theory (DFT), and shows an enhancement of electron density of the ring of N,N-DMA, making it an ideal electron donor for ET studies compared to other DMAs. This systematic selection and usage of anilines with electrochemically tunable quinones can be viewed as a working model of donor-acceptor system that can be utilized in photoinduced ET applications. Copyright © 2016 Elsevier B.V. All rights reserved.

Exciton Relaxation and Electron Transfer Dynamics of Semiconductor Quantum Dots

NASA Astrophysics Data System (ADS)

Liu, Cunming

Quantum dots (QDs), also referred to as colloidal semiconductor nanocrystals, exhibit unique electronic and optical properties arising from their three-dimensional confinement and strongly enhanced coulomb interactions. Developing a detailed understanding of the exciton relaxation dynamics within QDs is important not only for sake of exploring the fundamental physics of quantum confinement processes, but also for their applications. Ultrafast transient absorption (TA) spectroscopy, as a powerful tool to explore the relaxation dynamics of excitons, was employed to characterize the hot single/multiexciton relaxation dynamics at the first four exciton states of CdSe/CdZnS QDs. We observed for the first time that the hot hole can relax through two possible pathways: Intraband multiple phonon coupling and intrinsic defect trapping, with a lifetime of ˜7 ps. Additionally, an ultra-short component of ˜ 8 ps, directly associated with the Auger recombination of highly energetic exciton states, was discovered. After exploring the exciton relaxation inside QDs, ultrafast TA spectroscopy was further applied to study the electron transferring outside from QDs. By using a brand-new photocatalytic system consisting of CdSe QDs and Ni-dihydrolipoic acid (Ni-DHLA) catalyst, which has represented a robust photocatalysis of H2 from water, the photoinduced electron transfer (ET) dynamics between QD and the catalyst, one of most important steps during H2 generation, was studied. We found smaller bare CdSe QDs exhibit a better ET performance and CdS shelling on the bare QDs leads to worsen the ET. The calculations of effective mass approximation (EMA) and Marcus theory show the ET process is mainly dominated by driving force, electronic coupling strength and reorganization energy between QD and the catalyst.

Exciplexes versus Loose Ion Pairs: How Does the Driving Force Impact the Initial Product Ratio of Photoinduced Charge Separation Reactions?

PubMed Central

2014-01-01

Many donor–acceptor systems can undergo a photoinduced charge separation reaction, yielding loose ion pairs (LIPs). LIPs can be formed either directly via (distant) electron transfer (ET) or indirectly via the dissociation of an initially formed exciplex or tight ion pair. Establishing the prevalence of one of the reaction pathways is challenging because differentiating initially formed exciplexes from LIPs is difficult due to similar spectroscopic footprints. Hence, no comprehensive reaction model has been established for moderately polar solvents. Here, we employ an approach based on the time-resolved magnetic field effect (MFE) of the delayed exciplex luminescence to distinguish the two reaction channels. We focus on the effects of the driving force of ET and the solvent permittivity. We show that, surprisingly, the exciplex channel is significant even for an exergonic ET system with a free energy of ET of −0.58 eV and for the most polar solutions studied (butyronitrile). Our findings demonstrate that exciplexes play a crucial role even in polar solvents and at moderate driving forces, contrary to what is usually assumed. PMID:25243054

Multiphoton Coherent Manipulation in Large Spin Qubits

NASA Astrophysics Data System (ADS)

Chiorescu, Irinel

2009-03-01

Manipulation of quantum information allows certain algorithms to be performed at unparalleled speeds. Photons are an ideal choice to manipulate qubits as they interact with quantum systems in predictable ways. They are a versatile tool for manipulating, reading/coupling qubits and for encoding/transferring quantum information over long distances. Spin-based qubits have well known behavior under photon driving and can be potentially operated up to room temperature. When diluted enough to avoid uncontrolled spin-spin interactions, a variety of spin qubits show long coherence times, e.g. the nitrogen vacancies in pure diamonds (1,2), nitrogen atoms trapped in a C60 cage (3), Ho3+ and Cr5+ ions (4,5) and molecular magnets (6,7). We have used large spin Mn2+ ions (S=5/2) to realize a six level system that can be operated by means of single as well as multi-photon coherent Rabi oscillations (8). This spin system has a very small anisotropy whose effect can be tuned in-situ to turn the system into a multi-level harmonic system. This offer new ways of manipulating, reading and resetting a spin qubit. Decoherence effects are strongly reduced by the quasi-isotropic electron interaction with the crystal field and with the 55Mn nuclear spins. [0pt] 1. R. Hanson et al., Science 320, 352 (2008). [0pt] 2. M.V. Gurudev Dutt et al., Science 316, 1312 (2007). [0pt] 3. G.W. Morley et al., Phys. Rev. Lett. 98, 220501 (2007). [0pt] 4. S. Bertaina et al., Nat. Nanotech. 2, 39 (2007). [0pt] 5. S. Nellutla et al., Phys. Rev. Lett. 99, 137601 (2007). [0pt] 6. A. Ardavan et al., Phys. Rev. Lett. 98, 057201 (2007). [0pt] 7. S. Bertaina et al., Nature 453, 203,(2008). [0pt] 8. S. Bertaina et al., submitted.

Ocean Predictability and Uncertainty Forecasts Using Local Ensemble Transfer Kalman Filter (LETKF)

NASA Astrophysics Data System (ADS)

Wei, M.; Hogan, P. J.; Rowley, C. D.; Smedstad, O. M.; Wallcraft, A. J.; Penny, S. G.

2017-12-01

Ocean predictability and uncertainty are studied with an ensemble system that has been developed based on the US Navy's operational HYCOM using the Local Ensemble Transfer Kalman Filter (LETKF) technology. One of the advantages of this method is that the best possible initial analysis states for the HYCOM forecasts are provided by the LETKF which assimilates operational observations using ensemble method. The background covariance during this assimilation process is implicitly supplied with the ensemble avoiding the difficult task of developing tangent linear and adjoint models out of HYCOM with the complicated hybrid isopycnal vertical coordinate for 4D-VAR. The flow-dependent background covariance from the ensemble will be an indispensable part in the next generation hybrid 4D-Var/ensemble data assimilation system. The predictability and uncertainty for the ocean forecasts are studied initially for the Gulf of Mexico. The results are compared with another ensemble system using Ensemble Transfer (ET) method which has been used in the Navy's operational center. The advantages and disadvantages are discussed.

Comparison of GLONASS and GPS time transfers between two west European time laboratories and VNIIFTRI

NASA Technical Reports Server (NTRS)

Daly, P.; Koshelyaevsky, N. B.; Lewandowski, Wlodzimierz; Petit, Gerard; Thomas, Claudine

1992-01-01

The University of Leeds built a Global Positioning System/Global Orbiting Navigation Satellite System (GPS/GLONASS) receiver about five years ago and since then has provided continuous information about GLONASS time and its comparison with GPS time. For the last two years, VNIIFTRI (All Union Institute for Physical, Technical and Radiotechnical Measurements) and some other Soviet time laboratories have used Soviet built GLONASS navigation receivers for time comparisons. Since June 1991, VNIIFTIR has been operating a GPS time receiver on loan from the BIPM (Bureau International des Poids et Mesures). This offered, for the first time, an opportunity for direct comparison of time transfers using GPS and GLONASS. This experiment shows that even with relatively imprecise data recording and processing, in terms of time metrology, GLONASS can provide continental time transfer at a level of several tens of nanoseconds.

Global Precipitation Measurement, Validation, and Applications Integrated Hydrologic Validation to Improve Physical Precipitation Retrievals for GPM

NASA Technical Reports Server (NTRS)

Peters-Lidar, Christa D.; Tian, Yudong; Kenneth, Tian; Harrison, Kenneth; Kumar, Sujay

2011-01-01

Land surface modeling and data assimilation can provide dynamic land surface state variables necessary to support physical precipitation retrieval algorithms over land. It is well-known that surface emission, particularly over the range of frequencies to be included in the Global Precipitation Measurement Mission (GPM), is sensitive to land surface states, including soil properties, vegetation type and greenness, soil moisture, surface temperature, and snow cover, density, and grain size. In order to investigate the robustness of both the land surface model states and the microwave emissivity and forward radiative transfer models, we have undertaken a multi-site investigation as part of the NASA Precipitation Measurement Missions (PMM) Land Surface Characterization Working Group. Specifically, we will demonstrate the performance of the Land Information System (LIS; http://lis.gsfc.nasa.gov; Peters-Lidard et aI., 2007; Kumar et al., 2006) coupled to the Joint Center for Satellite Data Assimilation (JCSDA's) Community Radiative Transfer Model (CRTM; Weng, 2007; van Deist, 2009). The land surface is characterized by complex physical/chemical constituents and creates temporally and spatially heterogeneous surface properties in response to microwave radiation scattering. The uncertainties in surface microwave emission (both surface radiative temperature and emissivity) and very low polarization ratio are linked to difficulties in rainfall detection using low-frequency passive microwave sensors (e.g.,Kummerow et al. 2001). Therefore, addressing these issues is of utmost importance for the GPM mission. There are many approaches to parameterizing land surface emission and radiative transfer, some of which have been customized for snow (e.g., the Helsinki University of Technology or HUT radiative transfer model;) and soil moisture (e.g., the Land Surface Microwave Emission Model or LSMEM).

An L1-Script-Transfer-Effect Fallacy: A Rejoinder to Wang et al

ERIC Educational Resources Information Center

Yamada, Jun

2004-01-01

Do different L1 (first language) writing systems differentially affect word identification in English as a second language (ESL)? Wang, Koda, and Perfetti [Cognition 87 (2003) 129] answered yes by examining Chinese students with a logographic L1 background and Korean students with an alphabetic L1 background for their phonological and orthographic…

Shining a Light on Alport Syndrome.

PubMed

Hale, Lorna J; Little, Melissa H

2018-05-17

In this issue of Cell Chemical Biology, Omachi et al. (2018) present a split Nanoluciferase system to identify successful protein trimerization in Alport syndrome. This elegant proof of concept suggests opportunities for drug screening for Alport syndrome and may be transferable to the study of other diseases affecting protein-protein interactions. Copyright © 2018 Elsevier Ltd. All rights reserved.

The Perplexing Role of Learner Control in E-Learning: Will Learning and Transfer Benefit or Suffer?

ERIC Educational Resources Information Center

Granger, Benjamin P.; Levine, Edward L.

2010-01-01

The appeal of e-learning is not surprising given its many proposed advantages (e.g. flexibility, responsiveness to trainees' individual needs, potential cost-effectiveness). However, as pointed out by Ruel et al., academic research in support of the proposed advantages of electronic human resource management systems is scarce. Although this is…

Ab initio nonadiabatic molecular dynamics of the ultrafast electron injection from a PbSe quantum dot into the TiO2 surface.

PubMed

Long, Run; Prezhdo, Oleg V

2011-11-30

Following recent experiments [Science 2010, 328, 1543; PNAS 2011, 108, 965], we report an ab initio nonadiabatic molecular dynamics (NAMD) simulation of the ultrafast photoinduced electron transfer (ET) from a PbSe quantum dot (QD) into the rutile TiO(2) (110) surface. The system forms the basis for QD-sensitized semiconductor solar cells and demonstrates that ultrafast interfacial ET is instrumental for achieving high efficiencies in solar-to-electrical energy conversion. The simulation supports the observation that the ET successfully competes with energy losses due to electron-phonon relaxation. The ET proceeds by the adiabatic mechanism because of strong donor-acceptor coupling. High frequency polar vibrations of both QD and TiO(2) promote the ET, since these modes can rapidly influence the donor-acceptor state energies and coupling. Low frequency vibrations generate a distribution of initial conditions for ET, which shows a broad variety of scenarios at the single-molecule level. Compared to the molecule-TiO(2) interfaces, the QD-TiO(2) system exhibits pronounced differences that arise due to the larger size and higher rigidity of QDs relative to molecules. Both donor and acceptor states are more delocalized in the QD system, and the ET is promoted by optical phonons, which have relatively low frequencies in the QD materials composed of heavy elements. In contrast, in molecular systems, optical phonons are not thermally accessible under ambient conditions. Meanwhile, TiO(2) acceptor states resemble surface impurities due to the local influence of molecular chromophores. At the same time, the photoinduced ET at both QD-TiO(2) and molecule-TiO(2) interfaces is ultrafast and occurs by the adiabatic mechanism, as a result of strong donor-acceptor coupling. The reported state-of-the-art simulation generates a detailed time-domain atomistic description of the interfacial ET process that is fundamental to a wide variety of applications.

Simulation Studies of Mechanical Properties of Novel Silica Nano-structures

NASA Astrophysics Data System (ADS)

Muralidharan, Krishna; Torras Costa, Joan; Trickey, Samuel B.

2006-03-01

Advances in nanotechnology and the importance of silica as a technological material continue to stimulate computational study of the properties of possible novel silica nanostructures. Thus we have done classical molecular dynamics (MD) and multi-scale quantum mechanical (QM/MD) simulation studies of the mechanical properties of single-wall and multi-wall silica nano-rods of varying dimensions. Such nano-rods have been predicted by Mallik et al. to be unusually strong in tensile failure. Here we compare failure mechanisms of such nano-rods under tension, compression, and bending. The concurrent multi-scale QM/MD studies use the general PUPIL system (Torras et al.). In this case, PUPIL provides automated interoperation of the MNDO Transfer Hamiltonian QM code (Taylor et al.) and a locally written MD code. Embedding of the QM-forces domain is via the scheme of Mallik et al. Work supported by NSF ITR award DMR-0325553.

Toward Construct Validation of a Transfer Climate Instrument. [and] Improving Positive Transfer: A Test of Relapse Prevention Training on Transfer Outcomes.

ERIC Educational Resources Information Center

Holton, Elwood F., III; And Others

1997-01-01

Includes "Toward Construct Validation of a Transfer Climate Instrument" (Holton et al.); "Improving Positive Transfer: A Test of Relapse Prevention Training on Transfer Outcomes" (Burke); "Invited Reaction: Progress or Relapse?" (Newstrom); "Invited Reaction: Theory, Research, and Practice" (Tang);…

Is back-electron transfer process in Betaine-30 coherent?

NASA Astrophysics Data System (ADS)

Rafiq, Shahnawaz; Scholes, Gregory D.

2017-09-01

The possible role of coherent vibrational motion in ultrafast photo-induced electron transfer remains unclear despite considerable experimental and theoretical advances. We revisited this problem by tracking the back-electron transfer (bET) process in Betaine-30 with broadband pump-probe spectroscopy. Dephasing time constant of certain high-frequency vibrations as a function of solvent shows a trend similar to the ET rates. In the purview of Bixon-Jortner model, high-frequency quantum vibrations bridge the reactant-product energy gap by providing activationless vibronic channels. Such interaction reduces the effective coupling significantly and thereby the coherence effects are eliminated due to energy gap fluctuations, making the back-electron transfer incoherent.

Computation of Flow and Heat Transfer in Flow Around a 180 deg Bend.

DTIC Science & Technology

1984-04-01

be required if a more elaborate closure were adopted.[I- 9 Enayet et al [14] in a 900 bend with a radius:diameter ratio of I only 2.8:1 giving a Dean...Figure 9 indicates, however, that a satisfactory numerical simulation is nevertheless obtained. Enayet et al [14] also measured the development of...computations of the 2.P:1 90o bend of Enayet et al [1h] indicate a five-fold variation of local heat transfer coefficient around the bend at 750 . The

Electron transfer with self-assembled copper ions at Au-deposited biomimetic films: mechanistic ‘anomalies’ disclosed by temperature- and pressure-assisted fast-scan voltammetry

NASA Astrophysics Data System (ADS)

Khoshtariya, Dimitri E.; Dolidze, Tinatin D.; Tretyakova, Tatyana; van Eldik, Rudi

2015-06-01

It has been suggested that electron transfer (ET) processes occurring in complex environments capable of glass transitions, specifically in biomolecules, under certain conditions may experience the medium’s nonlinear response and nonergodic kinetic patterns. The interiors of self-assembled organic films (SAMs) deposited on solid conducting platforms (electrodes) are known to undergo glassy dynamics as well, hence they may also exhibit the abovementioned ‘irregularities’. We took advantage of Cu2+ ions as redox-active probes trapped in the Au-deposited  -COOH-terminated SAMs, either L-cysteine, or 3-mercaptopropionic acid diluted by the inert 2-mercaptoethanol, to systematically study the impact of glassy dynamics on ET using the fast-scan voltammetry technique and its temperature and high-pressure extensions. We found that respective kinetic data can be rationalized within the extended Marcus theory, taking into account the frictionally controlled (adiabatic) mechanism for short-range ET, and complications due to the medium’s nonlinear response and broken ergodicity. This combination shows up in essential deviations from the conventional energy gap (overpotential) dependence and in essentially nonlinear temperature (Arrhenius) and high-pressure patterns, respectively. Biomimetic aspects for these systems are also discussed in the context of recently published results for interfacial ET involving self-assembled blue copper protein (azurin) placed in contact with a glassy environment.

Prognostic factors for patients undergoing vitrified-warmed human embryo transfer cycles: a retrospective cohort study.

PubMed

Takahashi, Toshifumi; Hasegawa, Ayumi; Igarashi, Hideki; Amita, Mitsuyoshi; Matsukawa, Jun; Takehara, Isao; Suzuki, Satoko; Nagase, Satoru

2017-06-01

We examined the prognostic factors for pregnancy in 210 vitrified-warmed embryo transfer (ET) cycles in 121 patients. The univariate analysis showed that age, gravida, the number of cycles associated with infertility caused by endometriosis, the number of previous assisted reproductive technology (ART) treatment cycles, and the number of ICSI procedures were significantly lower in pregnant cycles compared with non-pregnant cycles. The percentages of ET using at least one intact embryo and of ET using at least one embryo that had developed further after warming were significantly higher in pregnant cycles compared with non-pregnant cycles. Multivariate logistic regression analysis showed that previous ART treatment cycles, ET with at least one intact embryo, and ET using at least one embryo that had developed further were independent prognostic factors for pregnancy in vitrified-warmed ET cycles. We conclude that fewer previous ART treatment cycles, ET using at least one intact embryo, and ET with embryos that have developed further after warming might be favourable prognostic factors for pregnancy in vitrified-warmed ET cycles.

Heat transfer to horizontal tubes immersed in a fluidized-bed combustor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grewal, N.S.; Menart, J.; Hajicek, D.R.

Experiments were carried out to measure the heat transfer rates to water-cooled horizontal tubes immersed in an atmospheric fluidized-bed combustor burning North Dakota lignite. The effect of bed temperature (T/sub B/ = 587 to 1205K), particle size (anti d/sub p/ = 0.544 to 2.335 mm), and fluidizing velocity (U = 0.73 to 2.58 m/s) on the heat transfer rate to horizontal tubes immersed in a fluidized-bed combustor (0.45 x 0.45 m) was investigated. Among existing correlations, correlations proposed by Glicksman and Decker (1980), Zabrodsky et al. (1980), Catipovic et al. (1980), Grewal (1981), and Bansal et al. (1980) are foundmore » to predict the present data quite well, when the contribution due to radiation is included. The radiative heat transfer is estimated as the difference between the heat transfer to an oxidized boiler tube and to a gold-plated tube. The relative contribution of radiation is found to be 11% for a bed of sand particles (anti d/sub p/ = 0.9 mm) operating at 1088K. 40 refs., 7 figs., 5 tabs.« less

The deferred embryo transfer strategy improves cumulative pregnancy rates in endometriosis-related infertility: A retrospective matched cohort study

PubMed Central

Maignien, Chloé; Gayet, Vanessa; Pocate-Cheriet, Khaled; Marcellin, Louis; Chapron, Charles

2018-01-01

Background Controlled ovarian stimulation in assisted reproduction technology (ART) may alters endometrial receptivity by an advancement of endometrial development. Recently, technical improvements in vitrification make deferred frozen-thawed embryo transfer (Def-ET) a feasible alternative to fresh embryo transfer (ET). In endometriosis-related infertility the eutopic endometrium is abnormal and its functional alterations are seen as likely to alter the quality of endometrial receptivity. One question in the endometriosis ART-management is to know whether Def-ET could restore optimal receptivity in endometriosis-affected women leading to increase in pregnancy rates. Objective To compare cumulative ART-outcomes between fresh versus Def-ET in endometriosis-infertile women. Materials and methods This matched cohort study compared def-ET strategy to fresh ET strategy between 01/10/2012 and 31/12/2014. One hundred and thirty-five endometriosis-affected women with a scheduled def-ET cycle and 424 endometriosis-affected women with a scheduled fresh ET cycle were eligible for matching. Matching criteria were: age, number of prior ART cycles, and endometriosis phenotype. Statistical analyses were conducted using univariable and multivariable logistic regression models. Results 135 in the fresh ET group and 135 in the def-ET group were included in the analysis. The cumulative clinical pregnancy rate was significantly increased in the def-ET group compared to the fresh ET group [58 (43%) vs. 40 (29.6%), p = 0.047]. The cumulative ongoing pregnancy rate was 34.8% (n = 47) and 17.8% (n = 24) respectively in the Def-ET and the fresh-ET groups (p = 0.005). After multivariable conditional logistic regression analysis, Def-ET was associated with a significant increase in the cumulative ongoing pregnancy rate as compared to fresh ET (OR = 1.76, CI95% 1.06–2.92, p = 0.028). Conclusion Def-ET in endometriosis-affected women was associated with significantly higher cumulative ongoing pregnancy rates. Our preliminary results suggest that Def-ET for endometriosis-affected women is an attractive option that could increase their ART success rates. Future studies, with a randomized design, should be conducted to further confirm those results. PMID:29630610

On the contributions of diffusion and thermal activation to electron transfer between Phormidium laminosum plastocyanin and cytochrome f: Brownian dynamics simulations with explicit modeling of nonpolar desolvation interactions and electron transfer events.

PubMed

Gabdoulline, Razif R; Wade, Rebecca C

2009-07-08

The factors that determine the extent to which diffusion and thermal activation processes govern electron transfer (ET) between proteins are debated. The process of ET between plastocyanin (PC) and cytochrome f (CytF) from the cyanobacterium Phormidium laminosum was initially thought to be diffusion-controlled but later was found to be under activation control (Schlarb-Ridley, B. G.; et al. Biochemistry 2005, 44, 6232). Here we describe Brownian dynamics simulations of the diffusional association of PC and CytF, from which ET rates were computed using a detailed model of ET events that was applied to all of the generated protein configurations. The proteins were modeled as rigid bodies represented in atomic detail. In addition to electrostatic forces, which were modeled as in our previous simulations of protein-protein association, the proteins interacted by a nonpolar desolvation (hydrophobic) force whose derivation is described here. The simulations yielded close to realistic residence times of transient protein-protein encounter complexes of up to tens of microseconds. The activation barrier for individual ET events derived from the simulations was positive. Whereas the electrostatic interactions between P. laminosum PC and CytF are weak, simulations for a second cyanobacterial PC-CytF pair, that from Nostoc sp. PCC 7119, revealed ET rates influenced by stronger electrostatic interactions. In both cases, the simulations imply significant contributions to ET from both diffusion and thermal activation processes.

Influence of embryo handling and transfer method on pig cloning efficiency.

PubMed

Shi, Junsong; Zhou, Rong; Luo, Lvhua; Mai, Ranbiao; Zeng, Haiyu; He, Xiaoyan; Liu, Dewu; Zeng, Fang; Cai, Gengyuan; Ji, Hongmei; Tang, Fei; Wang, Qinglai; Wu, Zhenfang; Li, Zicong

2015-03-01

The somatic cell nuclear transfer (SCNT) technique could be used to produce genetically superior or genetically engineered cloned pigs that have wide application in agriculture and bioscience research. However, the efficiency of porcine SCNT currently is very low. Embryo transfer (ET) is a key step for the success of SCNT. In this study, the effects of several ET-related factors, including cloned embryo culture time, recipient's ovulation status, co-transferred helper embryos and ET position, on the success rate of pig cloning were investigated. The results indicated that transfer of cloned embryos cultured for a longer time (22-24h vs. 4-6h) into pre-ovulatory sows decreased recipient's pregnancy rate and farrowing rate, and use of pre-ovulatory and post-ovulatory sows as recipients for SCNT embryos cultured for 22-24h resulted in a similar porcine SCNT efficiency. Use of insemination-produced in vivo fertilized, parthenogenetically activated and in vitro fertilized embryos as helper embryos to establish and/or maintain pregnancy of SCNT embryos recipients could not improve the success rate of porcine SCNT. Transfer of cloned embryos into double oviducts of surrogates significantly increased pregnancy rate as well as farrowing rate of recipients, and the developmental rate of transferred cloned embryos, as compared to unilateral oviduct transfer. This study provided useful information for optimization of the embryo handling and transfer protocol, which will help to improve the ability to generate cloned pigs. Copyright © 2015 Elsevier B.V. All rights reserved.

Long-range electron transfer in a model for DNA

NASA Astrophysics Data System (ADS)

Endres, R. G.; Cox, D. L.

2001-03-01

Long-range electron transfer (ET) between well separated donor (D) and acceptor (A) sites through quantum mechanical tunneling is essential to many biological processes like respiration, photosynthesis and possibly DNA repair and damage. We are investigating the distance dependence of the electronic transition matrix element H_DA and hence of the electron transfer rate in a model for DNA. Fluorescence quenching in DNA at D-A distances of 40 Åand more suggests ET with an unusually high decay length β-1 of order 10 Å (S.O.Kelley and J.K.Barton, in:Metal Ions in Biological Systems), A.Sigel and H.Sigel, Eds., Marcel Dekker, New York, Vol.36, 1999. Assuming strong electron interactions on the D complex and suitable energetics, this could be explained by formation of a many electron Kondo boundstate. We obtain H_DA from the splitting between the two lowest adiabatic electronic eigenenergies, which constitute the potential energy surfaces (PES) of the nuclear motion in lowest order Born-Oppenheimer approximation. The PES are constructed by coupling D and A to local breathing modes and by making a semi-analytical variational ansatz for the adiabatic eigenstates. The results from the PES are compared with results from the Mulliken-Hush algorithm.

Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwerdtfeger, Christine A.; Soudackov, Alexander V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu

2014-01-21

The development of efficient theoretical methods for describing electron transfer (ET) reactions in condensed phases is important for a variety of chemical and biological applications. Previously, dynamical dielectric continuum theory was used to derive Langevin equations for a single collective solvent coordinate describing ET in a polar solvent. In this theory, the parameters are directly related to the physical properties of the system and can be determined from experimental data or explicit molecular dynamics simulations. Herein, we combine these Langevin equations with surface hopping nonadiabatic dynamics methods to calculate the rate constants for thermal ET reactions in polar solvents formore » a wide range of electronic couplings and reaction free energies. Comparison of explicit and implicit solvent calculations illustrates that the mapping from explicit to implicit solvent models is valid even for solvents exhibiting complex relaxation behavior with multiple relaxation time scales and a short-time inertial response. The rate constants calculated for implicit solvent models with a single solvent relaxation time scale corresponding to water, acetonitrile, and methanol agree well with analytical theories in the Golden rule and solvent-controlled regimes, as well as in the intermediate regime. The implicit solvent models with two relaxation time scales are in qualitative agreement with the analytical theories but quantitatively overestimate the rate constants compared to these theories. Analysis of these simulations elucidates the importance of multiple relaxation time scales and the inertial component of the solvent response, as well as potential shortcomings of the analytical theories based on single time scale solvent relaxation models. This implicit solvent approach will enable the simulation of a wide range of ET reactions via the stochastic dynamics of a single collective solvent coordinate with parameters that are relevant to experimentally accessible systems.« less

KSC-04PD-1810

NASA Technical Reports Server (NTRS)

2004-01-01

KENNEDY SPACE CENTER, FLA. In the Orbiter Processing Facility, from left, United Space Alliance workers Loyd Turner, Craig Meyer and Erik Visser prepare to conduct a fit check of an External Tank (ET) digital still camera in the right-hand liquid oxygen umbilical well on Space Shuttle Atlantis. NASA is pursuing use of the camera, beginning with the Shuttles Return To Flight, to obtain and downlink high-resolution images of the ET following separation of the ET from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

KSC-04PD-1811

NASA Technical Reports Server (NTRS)

2004-01-01

KENNEDY SPACE CENTER, FLA. In the Orbiter Processing Facility, from left, United Space Alliance workers Loyd Turner, Craig Meyer and Erik Visser conduct a fit check of an External Tank (ET) digital still camera in the right-hand liquid oxygen umbilical well on Space Shuttle Atlantis. NASA is pursuing use of the camera, beginning with the Shuttles Return To Flight, to obtain and downlink high-resolution images of the ET following separation of the ET from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

KSC-04pd1811

NASA Image and Video Library

2004-09-17

KENNEDY SPACE CENTER, FLA. - In the Orbiter Processing Facility, from left, United Space Alliance workers Loyd Turner, Craig Meyer and Erik Visser conduct a fit check of an External Tank (ET) digital still camera in the right-hand liquid oxygen umbilical well on Space Shuttle Atlantis. NASA is pursuing use of the camera, beginning with the Shuttle’s Return To Flight, to obtain and downlink high-resolution images of the ET following separation of the ET from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

KSC-04pd1810

NASA Image and Video Library

2004-09-17

KENNEDY SPACE CENTER, FLA. - In the Orbiter Processing Facility, from left, United Space Alliance workers Loyd Turner, Craig Meyer and Erik Visser prepare to conduct a fit check of an External Tank (ET) digital still camera in the right-hand liquid oxygen umbilical well on Space Shuttle Atlantis. NASA is pursuing use of the camera, beginning with the Shuttle’s Return To Flight, to obtain and downlink high-resolution images of the ET following separation of the ET from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

Water-mediated electron transfer between protein redox centers.

PubMed

Migliore, Agostino; Corni, Stefano; Felice, Rosa Di; Molinari, Elisa

2007-04-12

Recent experimental and theoretical investigations show that water molecules between or near redox partners can significantly affect their electron-transfer (ET) properties. Here we study the effects of intervening water molecules on the electron self-exchange reaction of azurin (Az), by performing a conformational sampling on the water medium and by using a newly developed ab initio method to calculate transfer integrals between molecular redox sites. We show that the insertion of water molecules at the interface between the copper active sites of Az dimers slightly increases the overall ET rate, while some favorable water conformations can considerably enhance the ET kinetics. These features are traced back to the interplay of two competing factors: the electrostatic interaction between the water and protein subsystems (mainly opposing the ET process for the water arrangements drawn from MD simulations) and the effectiveness of water in mediating ET coupling pathways. Such an interplay provides a physical basis for the found absence of correlation between the electronic couplings derived through ab initio electronic structure calculations and the related quantities obtained through the Empirical Pathways (EP) method. In fact, the latter does not account for electrostatic effects on the transfer integrals. Thus, we conclude that the water-mediated electron tunneling is not controlled by the geometry of a single physical pathway. We discuss the results in terms of the interplay between different ET pathways controlled by the conformational changes of one of the water molecules via its electrostatic influence. Finally, we examine the dynamical effects of the interfacial water and check the validity of the Condon approximation.

Hazy Archean Earth as an Analog for Hazy Earthlike Exoplanets

NASA Astrophysics Data System (ADS)

Arney, Giada; Meadows, Victoria; Domagal-Goldman, Shawn; Claire, Mark; Schwieterman, Edward

2015-01-01

Hazy exoplanets may be common (Bean et al. 2010, Sing et al. 2011, Kreidberg et al 2014), and in our solar system, Venus and Titan have photochemically-produced hazes. There is evidence that Earth itself had a hydrocarbon haze in the Archean (Zerkle et al. 2012, Domagal-Goldman et al. 2008) with important climatic effects (Pavlov et al. 2001, Trainer et al. 2006, Haqq-Misra et al. 2008, Wolf and Toon 2012). We use a 1D coupled photochemical-climate model and a line-by-line radiative transfer model to investigate the climactic and spectral impacts of a fractal hydrocarbon haze on Archean Earth. The haze absorbs significantly at shorter wavelengths and can strongly suppress the Rayleigh scattering tail, a broadband effect that would be remotely detectable at low spectral resolution at wavelengths less than 0.5 μm. Hazes may have a more significant impact on transit transmission spectra. Using the transit transmission radiative transfer model developed by Misra et al. (2014) to generate hazy Archean spectra, we find that even a thin hydrocarbon haze masks the lower atmosphere from the visible into the near infrared where the haze optical depth exceeds unity. The transit transmission spectra we generate for hazy Archean Earth are steeply sloped like the Titan solar occultation spectrum observed by Robinson et al. (2014). Thick hazes can also cool the planet significantly: for example, the thick fractal haze generated around Archean Earth with 0.3% CH4, 1% CO2 and 1 ppm C2H6 cools the planet from roughly 290 K without the haze to below freezing with the haze. Finally, we investigate the impact of host star spectral type on haze formation, comparing the hazes generated around a solar-type star to those generated at an Earth analog planet around the M dwarf AD Leo. Our results indicate hazes around M dwarfs for the same initial atmospheric composition may be thinner due to decreased UV photolysis of methane and other hydrocarbons needed for haze formation. Earthlike planets around M dwarfs may therefore be more likely to remain haze-free than those around G dwarfs; therefore, they may be easier to examine spectrally.

Applications of the similarity relations in radiative transfer to remote sensing implementation and flux simulation

NASA Astrophysics Data System (ADS)

Yang, P.; Ding, J.; Tang, G.; King, M. D.; Platnick, S. E.; Meyer, K.; Mlawer, E. J.

2017-12-01

Van de Hulst (1974) showed several quasi-invariant quantities in radiative transfer concerning multiple scattering. Recently, we illustrated that the aforesaid quasi-invariant quantities are useful in remote sensing of ice cloud properties from spaceborne radiometric observations (Ding et al. 2017). Specifically, the overall performance of an ice cloud optical property model can be estimated without carrying out detailed retrieval implementation. In this presentation, we will review the radiative transfer similarity relations and some recent results including the study by Ding et al. (2017). Furthermore, we will illustrate an application of the similarity relations to improvement of broadband radiative flux computation. For example, the Rapid Radiative Transfer Model (RRTM, Mlawer et al, 1999) does not consider multiple scattering in the longwave spectral regime (RRTMG-LW) ("G" indicates a version suitable for GCM applications). We show that the similarity relations can be used to effectively improve the accuracy of RRTMG-LW without increasing computational effort.

Relationship between colour flow Doppler sonographic assessment of corpus luteum activity and progesterone concentrations in mares after embryo transfer.

PubMed

Brogan, P T; Henning, H; Stout, T A E; de Ruijter-Villani, M

2016-03-01

Colour-flow Doppler sonography has been described as a means of assessing corpus luteum (CL) function rapidly, because area of luteal blood vessels correlates well with circulating progesterone (P4) concentrations [P4] in oestrous cycling mares. The aim of this study was to assess the relationships between CL size and vascularity, and circulating [P4] during early pregnancy in mares, and to determine whether luteal blood flow was a useful aid for selecting an embryo transfer recipient. Equine embryos (n=48) were recovered 8 days after ovulation and were transferred to available recipient mares as part of a commercial program with the degree of synchrony in timing of recipient ovulation ranging from 1 day before to 4 days after the donor. Immediately prior to embryo transfer (ET), maximum CL cross-section and blood vessel areas were assessed sonographically, and jugular blood was collected to measure plasma [P4]. Sonographic measurements and jugular blood collection were repeated at day 4 after ET for all mares, and again at days 11, 18 and 25 after ET in mares that were pregnant. The number of grey-scale and colour pixels within the CL was subsequently quantified using ImageJ software. The CL blood flow correlated significantly but weakly with plasma [P4] on the day of transfer and on day 4 after ET in all mares, and on days 11 and 25 after ET in pregnant mares (r=0.30-0.36). The CL area and plasma [P4] were also correlated on each day until day 11 after ET (r=0.49-0.60). The CL colour pixel area decreased significantly after day 18, whereas CL area was already decreasing by day 4 after ET. The CL area, area of blood flow, or [P4] was predictive of pregnancy. Findings in the present study suggest that both CL area and blood flow are correlated with circulating [P4] at the time of transfer and in early pregnancy. Evaluation of the CL using B-mode or CF sonography, although practical, provides no improvement in the selection of recipients or prediction of pregnancy outcomes than methods employed currently. Copyright © 2016 Elsevier B.V. All rights reserved.

Coordination Chemistry of Homoleptic Actinide(IV)-Thiocyanate Complexes

DOE PAGES

Carter, Tyler J.; Wilson, Richard E.

2015-09-10

Here, the synthesis, X-ray crystal structure, vibrational and optical spectroscopy for the eight-coordinate thiocyanate compounds, [Et 4N] 4[Pu IV(NCS) 8], [Et 4N] 4[Th IV(NCS) 8], and [Et 4N] 4[Ce III(NCS) 7(H 2O)] are reported. Thiocyanate was found to rapidly reduce plutonium to Pu III in acidic solutions (pH<1) in the presence of NCS –. The optical spectrum of [Et 4N][SCN] containing Pu III solution was indistinguishable from that of aquated Pu III suggesting that inner-sphere complexation with [Et 4N][SCN] does not occur in water. However, upon concentration, the homoleptic thiocyanate complex [Et 4N] 4[Pu IV(NCS) 8] was crystallized when amore » large excess of [Et 4N][NCS] was present. This compound, along with its U IV analogue, maintains inner-sphere thiocyanate coordination in acetonitrile based on the observation of intense ligand-to-metal charge-transfer bands. Spectroscopic and crystallographic data do not support the interaction of the metal orbitals with the ligand π system, but support an enhanced An IV–NCS interaction, as the Lewis acidity of the metal ion increases from Th to Pu.« less

Influence of Haze on Molecular Lines Formed in the Atmosphere of Titan

NASA Astrophysics Data System (ADS)

Kim, Sang J.

2012-10-01

Radiative transfer calculations for the ro-vibrational lines of CH4, C2H2, C2H6, and HCN in atmosphere of Titan have been carried out without consideration of haze opacities (e.g., Yelle and Griffith, 2003), or only for very high (z > 500 km) atmospheric layers where haze influence is assumed to be negligible (e.g., Adriani et al. 2011; and García-Comas et al. 2011). Haze particles are found to exist in the high-altitude atmosphere of Titan, where the absorption lines of these molecules are modified by the haze opacities (Bellucci et al. 2009; Kim et al. 2011). We will present a discussion on the influence of the haze opacities on these molecular lines based on a preliminary result from updated radiative transfer calculations. References Adriani, A. et al. 2011. Icarus 214, 584-595. Bellucci, A. et al. 2009. Icarus 201, 198-216. García-Comas, M. et al. 2011. Icarus 214, 571-583. Kim, et al. 2011. 2011. Planetary and Space Science 59, 699-704. Yelle, R.V., Griffith, C.A., 2003. Icarus 166, 107-115.

Forty years of embryo transfer in cattle: a review focusing on the journal Theriogenology, the growth of the industry in North America, and personal reminisces.

PubMed

Hasler, John F

2014-01-01

After the first successful transfer of mammalian embryos in 1890, it was approximately 60 years before significant progress was reported in the basic technology of embryo transfer (ET) in cattle. Starting in the early 1970s, technology had progressed sufficiently to support the founding of commercial ET programs in several countries. Today, well-established and reliable techniques involving superovulation, embryo recovery and transfer, cryopreservation, and IVF are utilized worldwide in hundreds, if not thousands, of commercial businesses located in many countries. The mean number of embryos produced via superovulation has changed little in 40 years, but there have been improvements in synchrony and hormonal protocols. Cryopreservation of in vivo-derived embryos is a reliable procedure, but improvements are needed for biopsied and in vitro-derived embryos. High pregnancy rates are achieved when good quality embryos are transferred into suitable recipients and low pregnancy rates are often owing to problems in recipient management and not technology per se. In the future, unanticipated disease outbreaks and the ever-changing economics of cattle and milk prices will continue to influence the ET industry. The issue of abnormal pregnancies involving in vitro embryos has not been satisfactorily resolved and the involvement of abnormal epigenetics associate with this technology merits continued research. Last, genomic testing of bovine embryos is likely to be available in the foreseeable future. This may markedly decrease the number of embryos that are actually transferred and stimulate the evolution of more sophisticated ET businesses. Copyright © 2014 Elsevier Inc. All rights reserved.

Oxygen transport enhancement by functionalized magnetic nanoparticles (FMP) in bioprocesses

NASA Astrophysics Data System (ADS)

Ataide, Filipe Andre Prata

The enhancement of fluid properties, namely thermal conductivity and mass diffusivity for a wide range of applications, through the use of nanosized particles' suspensions has been gathering increasing interest in the scientific community. In previous studies, Olle et al. (2006) showed an enhancement in oxygen absorption to aqueous solutions of up to 6-fold through the use of functionalized nanosized magnetic particles with oleic acid coating. Krishnamurthy et al. (2006) showed a remarkable 26-fold enhancement in dye diffusion in water. These two publications are landmarks in mass transfer enhancement in chemical systems through the use of nanoparticles. The central goal of this Ph.D. thesis was to develop functionalized magnetic nanoparticles to enhance oxygen transport in bioprocesses. The experimental protocol for magnetic nanoparticles synthesis and purification adopted in this thesis is a modification of that reported by Olle et al. (2006). This is facilitated by employing twice the quantity of ammonia, added at a slower rate, and by filtering the final nanoparticle solution in a cross-flow filtration modulus against 55 volumes of distilled water. This modification in the protocol resulted in improved magnetic nanoparticles with measurably higher mass transfer enhancement. Magnetic nanoparticles with oleic acid and Hitenol-BC coating were screened for oxygen transfer enhancement, since these particles are relatively inexpensive and easy to synthesize. A glass 0.5-liter reactor was custom manufactured specifically for oxygen transport studies in magnetic nanoparticles suspensions. The reactor geometry, baffles and Rushton impeller are of standard dimensions. Mass transfer tests were conducted through the use of the sulphite oxidation method, applying iodometric back-titration. A 3-factor central composite circumscribed design (CCD) was adopted for design of experiments in order to generate sufficiently informative data to model the effect of magnetic nanoparticles on interfacial area and mass transfer coefficient. The parameters ranges used were: 250-750 rpm for stirring speed, 0-2 vvm for aeration and 0-0.00120 g g?1 magnetic nanoparticles mass fraction. It was found that 36 nm-sized nanoparticles produced during the course of this dissertation enhanced the volumetric mass transfer coefficient up to 3.3-fold and the interfacial area up to 3.3-fold in relation to gas-liquid dispersions without nanoparticles. These results are concordant with previously published enhancement data (kLa enhancement by 7.1-fold and a enhancement by 4.1-fold) (Olle et al. 2006). The magnetic nanoparticles synthesized in this thesis were stable (constant diameter) over a 1wide pH range (2-9). Statistical regression models showed that both kLa and a have high sensitivity to the nanoparticles loading. Empirical correlation models were derived for kLa and for interfacial area, a, as function of physical properties and nanoparticles loading. These correlations lay out a methodology that can help the scientific community to design and scale-up oxygen transfer systems that are based on nanoparticle suspensions. None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None

Transfer of DNA from Bacteria to Eukaryotes

PubMed Central

2016-01-01

ABSTRACT Historically, the members of the Agrobacterium genus have been considered the only bacterial species naturally able to transfer and integrate DNA into the genomes of their eukaryotic hosts. Yet, increasing evidence suggests that this ability to genetically transform eukaryotic host cells might be more widespread in the bacterial world. Indeed, analyses of accumulating genomic data reveal cases of horizontal gene transfer from bacteria to eukaryotes and suggest that it represents a significant force in adaptive evolution of eukaryotic species. Specifically, recent reports indicate that bacteria other than Agrobacterium, such as Bartonella henselae (a zoonotic pathogen), Rhizobium etli (a plant-symbiotic bacterium related to Agrobacterium), or even Escherichia coli, have the ability to genetically transform their host cells under laboratory conditions. This DNA transfer relies on type IV secretion systems (T4SSs), the molecular machines that transport macromolecules during conjugative plasmid transfer and also during transport of proteins and/or DNA to the eukaryotic recipient cells. In this review article, we explore the extent of possible transfer of genetic information from bacteria to eukaryotic cells as well as the evolutionary implications and potential applications of this transfer. PMID:27406565

Modeling Planet-Building Stellar Disks with Radiative Transfer Code

NASA Astrophysics Data System (ADS)

Swearingen, Jeremy R.; Sitko, Michael L.; Whitney, Barbara; Grady, Carol A.; Wagner, Kevin Robert; Champney, Elizabeth H.; Johnson, Alexa N.; Warren, Chelsea C.; Russell, Ray W.; Hammel, Heidi B.; Lisse, Casey M.; Cure, Michel; Kraus, Stefan; Fukagawa, Misato; Calvet, Nuria; Espaillat, Catherine; Monnier, John D.; Millan-Gabet, Rafael; Wilner, David J.

2015-01-01

Understanding the nature of the many planetary systems found outside of our own solar system cannot be completed without knowledge of the beginnings these systems. By detecting planets in very young systems and modeling the disks of material around stars from which they form, we can gain a better understanding of planetary origin and evolution. The efforts presented here have been in modeling two pre-transitional disk systems using a radiative transfer code. With the first of these systems, V1247 Ori, a model that fits the spectral energy distribution (SED) well and whose parameters are consistent with existing interferometry data (Kraus et al 2013) has been achieved. The second of these two systems, SAO 206462, has presented a different set of challenges but encouraging SED agreement between the model and known data gives hope that the model can produce images that can be used in future interferometry work. This work was supported by NASA ADAP grant NNX09AC73G, and the IR&D program at The Aerospace Corporation.

Air bubble location inside the uterus after transfer: is the embryo really there?

PubMed

Soares, Sérgio Reis; Godinho, Catarina; Nunes, Sofia; Pellicer, António

2008-08-01

To demonstrate that the location of the air bubble after embryo transfer (ET) does not necessarily indicate the final embryo location. Case report. Private clinic. A couple with primary infertility for whom a diagnosis of bicornuate uterus with a very open angle between horns was confirmed. Laparoscopy and hysteroscopy were performed before an IVF cycle in which a single embryo was replaced. Air bubble image immediately after ET and gestational sac location 3 weeks later. Immediately after a single ET, the air bubble was seen in the left uterine horn. Three weeks later, a gestational sac was seen in the right uterine horn. The location of the air bubble immediately after ET does not necessarily indicate the final embryo location.

Radical-mediated reduction of the dithiocarbamate group under tin-free conditions.

PubMed

McMaster, Claire; Bream, Robert N; Grainger, Richard S

2012-06-28

Reductive desulfurisation of dithiocarbamates is conveniently achieved using H(3)PO(2)-Et(3)N-ACCN in refluxing dioxane. Fused and spirocyclic β-lactams, prepared through 4-exo trig carbamoyl radical cyclisation-dithiocarbamate group transfer reactions, are reduced without fragmentation of the strained 4-membered ring. Diethyl tetraacetyl-d-glucopyranosyl dithiocarbamate is selectively reduced with or without acyloxy group migration depending on reaction conditions and choice of reductant. Deuterium incorporation from D(3)PO(2)-Et(3)N is observed for a system involving a nucleophilic radical intermediate, but not in the case of the electrophilic radical obtained through acyloxy group migration on a glucose derivative.

Photoinduced electron transfer in an imidazolium ionic liquid and in its binary mixtures with water, methanol, and 2-propanol: appearance of Marcus-type of inversion.

PubMed

Sarkar, Souravi; Mandal, Sarthak; Ghatak, Chiranjib; Rao, Vishal Govind; Ghosh, Surajit; Sarkar, Nilmoni

2012-02-02

The photoinduced electron transfer (PET) reaction has been investigated in a room temperature imidazolium ionic liquid (RTIL), 1-ethyl-3-methylimidazolium ethyl sulfate ([Emim][EtSO(4)]) and also in [Emim][EtSO(4)]-co-solvents mixtures from N,N-dimethyl aniline (DMA) to different Coumarin dyes using steady state and time-resolved fluorescence quenching measurements. We have used water and methanol and 2-propanol as the cosolvents of RTILs for the PET study. On going from neat ionic liquid to the RTIL-co-solvents mixtures the electron transfer rate has been largely enhanced. In neat RTIL as well as in [Emim][EtSO(4)]-co-solvents mixtures, a Marcus type of inversion in the PET rate have been observed.

Development of reliable predictive heat transfer correlations for low-rank coal-fired fluid bed combustors. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grewal, N.S.

(1) The proposed correlation of Equation (5) is recommended to predict the maximum value of heat transfer coefficient between a horzontal tube and a gas-solid fluidized bed of small particles under the conditions given. For high temperature applications (T/sub B/ > 600/sup 0/C), the radiative component is important and was estimated following Baskakov et al. (2) The proposed correlation of Equation (8) was found reliable to predict the existing data on the maximum value of heat transfer coefficient between a horizontal tube bundle and a gas-solid fluidized bed of small particles under the conditions given. At high temperatures, the radiativemore » component was estimated from the experimental data of Baskakov et al. (3) The correlation of Equation (8) predicted the GFETC data taken during the combustion of low-rank coal very well, when the contribution due to radiation was estimated following Baskakov et al. (4) The correlations proposed by Grewal and Bansal et al. were found to predict the data taken during low-rank coal combustion within +-25%, when the contribution due to radiation was included and estimated following Baskakov et al. (5) Finally, the correlations for large particles (anti d/sub p/ > 1mm) as proposed by Glicksman and Decker, Catipovic et al., Xavier and Davidson, and Zabrodsky et al. also predicted the data for low-rank coal fluidized bed combustor quite well, when the radiative component was estimated from the data of Baskakov et al. 64 references, 19 figures, 10 tables.« less

Extended Minus-Strand DNA as Template for R-U5-Mediated Second-Strand Transfer in Recombinational Rescue of Primer Binding Site-Modified Retroviral Vectors

PubMed Central

Mikkelsen, Jacob Giehm; Lund, Anders H.; Dybkær, Karen; Duch, Mogens; Pedersen, Finn Skou

1998-01-01

We have previously demonstrated recombinational rescue of primer binding site (PBS)-impaired Akv murine leukemia virus-based vectors involving initial priming on endogenous viral sequences and template switching during cDNA synthesis to obtain PBS complementarity in second-strand transfer of reverse transcription (Mikkelsen et al., J. Virol. 70:1439–1447, 1996). By use of the same forced recombination system, we have now found recombinant proviruses of different structures, suggesting that PBS knockout vectors may be rescued through initial priming on endogenous virus RNA, read-through of the mutated PBS during minus-strand synthesis, and subsequent second-strand transfer mediated by the R-U5 complementarity of the plus strand and the extended minus-strand DNA acceptor template. Mechanisms for R-U5-mediated second-strand transfer and its possible role in retrovirus replication and evolution are discussed. PMID:9499117

Teaching Mathematics Understandings for Transfer

ERIC Educational Resources Information Center

Jones, Jennifer L.; Jones, Karrie A.; Vermette, Paul J.

2009-01-01

Promoting student understanding for transfer is an illusive hallmark of effective mathematics instruction. While much research has shown the necessity of promoting understanding for transfer, less attention has been paid to actual pedagogical strategies that can be used to promote transfer of mathematical ideas. Using Fogarty et al. (1992, "How to…

Carotenoid-bacteriochlorophyll energy transfer in LH2 complexes studied with 10-fs time resolution.

PubMed

Polli, Dario; Cerullo, Giulio; Lanzani, Guglielmo; De Silvestri, Sandro; Hashimoto, Hideki; Cogdell, Richard J

2006-04-01

In this report, we present a study of carotenoid-bacteriochlorophyll energy transfer processes in two peripheral light-harvesting complexes (known as LH2) from purple bacteria. We use transient absorption spectroscopy with approximately 10 fs temporal resolution, which is necessary to observe the very fast energy relaxation processes. By comparing excited-state dynamics of the carotenoids in organic solvents and inside the LH2 complexes, it has been possible to directly evaluate their energy transfer efficiency to the bacteriochlorophylls. In the case of okenone in the LH2 complex from Chromatium purpuratum, we obtained an energy transfer efficiency of etaET2=63+/-2.5% from the optically active excited state (S2) and etaET1=61+/-2% from the optically dark state (S1); for rhodopin glucoside contained in the LH2 complex from Rhodopseudomonas acidophila these values become etaET2=49.5+/-3.5% and etaET1=5.1+/-1%. The measurements also enabled us to observe vibrational energy relaxation in the carotenoids' S1 state and real-time collective vibrational coherence initiated by the ultrashort pump pulses. Our results are important for understanding the dynamics of early events of photosynthesis and relating it to the structural arrangement of the chromophores.

Assisted reproductive technology in the United States: 2001 results generated from the American Society for Reproductive Medicine/Society for Assisted Reproductive Technology registry.

PubMed

2007-06-01

To summarize the procedures and outcomes of assisted reproductive technologies (ART) that were initiated in the United States in 2001. Data were collected electronically using the Society for Assisted Reproductive Technology (SART) Clinic Outcome Reporting System software and submitted to the American Society for Reproductive Medicine/SART Registry. Three hundred eighty-five clinics submitted data on procedures performed in 2001. Data were collated after November 2002 [corrected] so that the outcomes of all pregnancies would be known. Incidence of clinical pregnancy, ectopic pregnancy, abortion, stillbirth, and delivery. Programs reported initiating 108,130 cycles of ART treatment. Of these, 79,042 cycles involved IVF (with and without micromanipulation), with a delivery rate per retrieval of 31.6%; 340 were cycles of gamete intrafallopian transfer, with a delivery rate per retrieval of 21.9%; 661 were cycles of zygote intrafallopian transfer, with a delivery rate per retrieval of 31.0%. The following additional ART procedures were also initiated: 8,147 fresh donor oocyte cycles, with a delivery rate per transfer of 47.3%; 14,509 frozen ET procedures, with a delivery rate per transfer of 23.5%; 3,187 frozen ETs employing donated oocytes or embryos, with a delivery rate per transfer of 27.4%; and 1,366 cycles using a host uterus, with a delivery rate per transfer of 38.7%. In addition, 112 cycles were reported as combinations of more than one treatment type, 8 cycles as research, and 85 as embryo banking. As a result of all procedures, 29,585 deliveries were reported, resulting in 41,168 neonates. In 2001, there were more programs reporting ART treatment and a significant increase in reported cycles compared with 2000.

Elementary Energy Transfer Pathways in Allochromatium vinosum Photosynthetic Membranes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lüer, Larry; Carey, Anne-Marie; Henry, Sarah

2015-11-01

Allochromatium vinosum (formerly Chromatium vinosum) purple bacteria are known to adapt their light-harvesting strategy during growth according to environmental factors such as temperature and average light intensity. Under low light illumination or low ambient temperature conditions, most of the LH2 complexes in the photosynthetic membranes form a B820 exciton with reduced spectral overlap with LH1. To elucidate the reason for this light and temperature adaptation of the LH2 electronic structure, we performed broadband femtosecond transient absorption spectroscopy as a function of excitation wavelength in A. vinosum membranes. A target analysis of the acquired data yielded individual rate constants for allmore » relevant elementary energy transfer (ET) processes. We found that the ET dynamics in high-light-grown membranes was well described by a homogeneous model, with forward and backward rate constants independent of the pump wavelength. Thus, the overall B800→B850→B890→ Reaction Center ET cascade is well described by simple triexponential kinetics. In the low-light-grown membranes, we found that the elementary backward transfer rate constant from B890 to B820 was strongly reduced compared with the corresponding constant from B890 to B850 in high-light-grown samples. The ET dynamics of low-light-grown membranes was strongly dependent on the pump wavelength, clearly showing that the excitation memory is not lost throughout the exciton lifetime. The observed pump energy dependence of the forward and backward ET rate constants suggests exciton diffusion via B850→ B850 transfer steps, making the overall ET dynamics nonexponential. Our results show that disorder plays a crucial role in our understanding of low-light adaptation in A. vinosum.« less

Elementary Energy Transfer Pathways in Allochromatium vinosum Photosynthetic Membranes

PubMed Central

Lüer, Larry; Carey, Anne-Marie; Henry, Sarah; Maiuri, Margherita; Hacking, Kirsty; Polli, Dario; Cerullo, Giulio; Cogdell, Richard J.

2015-01-01

Allochromatium vinosum (formerly Chromatium vinosum) purple bacteria are known to adapt their light-harvesting strategy during growth according to environmental factors such as temperature and average light intensity. Under low light illumination or low ambient temperature conditions, most of the LH2 complexes in the photosynthetic membranes form a B820 exciton with reduced spectral overlap with LH1. To elucidate the reason for this light and temperature adaptation of the LH2 electronic structure, we performed broadband femtosecond transient absorption spectroscopy as a function of excitation wavelength in A. vinosum membranes. A target analysis of the acquired data yielded individual rate constants for all relevant elementary energy transfer (ET) processes. We found that the ET dynamics in high-light-grown membranes was well described by a homogeneous model, with forward and backward rate constants independent of the pump wavelength. Thus, the overall B800→B850→B890→ Reaction Center ET cascade is well described by simple triexponential kinetics. In the low-light-grown membranes, we found that the elementary backward transfer rate constant from B890 to B820 was strongly reduced compared with the corresponding constant from B890 to B850 in high-light-grown samples. The ET dynamics of low-light-grown membranes was strongly dependent on the pump wavelength, clearly showing that the excitation memory is not lost throughout the exciton lifetime. The observed pump energy dependence of the forward and backward ET rate constants suggests exciton diffusion via B850→ B850 transfer steps, making the overall ET dynamics nonexponential. Our results show that disorder plays a crucial role in our understanding of low-light adaptation in A. vinosum. PMID:26536265

Elementary Energy Transfer Pathways in Allochromatium vinosum Photosynthetic Membranes.

PubMed

Lüer, Larry; Carey, Anne-Marie; Henry, Sarah; Maiuri, Margherita; Hacking, Kirsty; Polli, Dario; Cerullo, Giulio; Cogdell, Richard J

2015-11-03

Allochromatium vinosum (formerly Chromatium vinosum) purple bacteria are known to adapt their light-harvesting strategy during growth according to environmental factors such as temperature and average light intensity. Under low light illumination or low ambient temperature conditions, most of the LH2 complexes in the photosynthetic membranes form a B820 exciton with reduced spectral overlap with LH1. To elucidate the reason for this light and temperature adaptation of the LH2 electronic structure, we performed broadband femtosecond transient absorption spectroscopy as a function of excitation wavelength in A. vinosum membranes. A target analysis of the acquired data yielded individual rate constants for all relevant elementary energy transfer (ET) processes. We found that the ET dynamics in high-light-grown membranes was well described by a homogeneous model, with forward and backward rate constants independent of the pump wavelength. Thus, the overall B800→B850→B890→ Reaction Center ET cascade is well described by simple triexponential kinetics. In the low-light-grown membranes, we found that the elementary backward transfer rate constant from B890 to B820 was strongly reduced compared with the corresponding constant from B890 to B850 in high-light-grown samples. The ET dynamics of low-light-grown membranes was strongly dependent on the pump wavelength, clearly showing that the excitation memory is not lost throughout the exciton lifetime. The observed pump energy dependence of the forward and backward ET rate constants suggests exciton diffusion via B850→ B850 transfer steps, making the overall ET dynamics nonexponential. Our results show that disorder plays a crucial role in our understanding of low-light adaptation in A. vinosum. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

An Automated Multi-Modal Serial Sectioning System for Characterization of Grain-Scale Microstructures in Engineering Materials (Preprint)

DTIC Science & Technology

2012-03-01

the three main sub-systems. The Mitsubishi RV12SVL 6-axis robot arm has a 54’’ reach, which allows it to readily move a 2” diameter stainless ... steel sample holder, Figure 2A, between sample exchange points on the Robo-Met.3D, the Tescan SEM, and an additional sample transfer stand that enables...Rowenhorst DJ, et al. (2006) Crystallographic and morphological analysis of coarse martensite : Combining EBSD and serial sectioning. Scripta

Biomimetic Interfacial Electron-Induced Electrochemiluminesence.

PubMed

Pu, Guiqiang; Zhang, Dongxu; Mao, Xiang; Zhang, Zhen; Wang, Huan; Ning, Xingming; Lu, Xiaoquan

2018-04-17

We provide here, for the first time, a new interfacial electron-induced electrochemiluminescence (IEIECL) system, realizing bionic construction of bioluminescence (BL) by exploiting electrochemiluminescence (ECL) and ITIES (the interface between two immiscible electrolyte solutions). Significantly, the superiority of the IEIECL system is embodied with the solution of the two bottlenecks encountered in the conventional ECL innovation: that are (a) the applications of hydrophobic luminophores in more commonly used aqueous solution are inhibited tremendously due to the poor inherent solubility and the instability of radicals and (b) the analytes, insoluble in water, are hard to be discovered in an aqueous system because of too little content. More productive IEIECL radiation, analogous to BL, originates from the triplet excited state porphyrin in comparison to the homogeneous ECL. The mechanism of IEIECL, as well as the interaction mechanism between IEIECL and charge transfer (comprising electron transfer (ET), ion transfer (IT), and facilitated ion transfer (FIT)) at the ITIES, are explored in detail. Finally, we emphasize the actual application potential of the IEIECL system with the detection of cytochrome c (Cyt c); it is a key biomolecule in the electron transport chain in the process of biological oxidation and is also an intermediate species in apoptosis. Potentially, the IEIECL system permits ones to explore the lifetime and diffusion path of free radicals, as well as imparting a possibility for the construction of a bionic sensor.

Electrochemiluminescence energy transfer-promoted ultrasensitive immunoassay using near-infrared-emitting CdSeTe/CdS/ZnS quantum dots and gold nanorods

PubMed Central

Li, Lingling; Chen, Ying; Lu, Qian; Ji, Jing; Shen, Yuanyuan; Xu, Mi; Fei, Rong; Yang, Guohai; Zhang, Kui; Zhang, Jian-Rong; Zhu, Jun-Jie

2013-01-01

The marriage of energy transfer with electrochemiluminescence has produced a new technology named electrochemiluminescence energy transfer (ECL-ET), which can realize effective and sensitive detection of biomolecules. To obtain optimal ECL-ET efficiency, perfect energy overlapped donor/acceptor pair is of great importance. Herein, we present a sensitive ECL-ET based immunosensor for the detection of tumor markers, using energy tunable CdSeTe/CdS/ZnS double shell quantum dots (QDs) and gold nanorods (GNRs) as the donor and acceptor, respectively. Firstly a facile microwave-assisted strategy for the synthesis of green- to near-infrared-emitting CdSeTe/CdS/ZnS QDs with time- and component-tunable photoluminescence was proposed. And, on the basis of the adjustable optical properties of both CdSeTe/CdS/ZnS QDs and GNRs, excellent overlap between donor emission and acceptor absorption can be obtained to ensure effective ECL-ET quenching, thus improving the sensing sensitivity. This method represents a novel approach for versatile detection of biomolecules at low concentrations. PMID:23524874

Endometrial lesions caused by catheters used for embryo transfers: a preliminary report.

PubMed

Marconi, Guillermo; Vilela, Martín; Belló, José; Diradourián, Marco; Quintana, Ramiro; Sueldo, Carlos

2003-08-01

To visualize by microhysteroscopy any possible lesions on the endocervix and endometrium made by the catheters commonly used for embryo transfer (ET). Prospective descriptive study. Tertiary fertility center (IFER). Twenty-three infertile patients underwent a mock transfer before a microhysteroscopy during the postovulatory phase (days 2-5 after ovulation) of the cycle with a Tomcat catheter (n = 5), Frydman's catheter (n = 5), Frydman's set (n = 3), or Wallace's catheter (n = 10). Mock ETs and subsequent mycrohysteroscopies.Visualization, description, and documentation of endocervical and endometrial lesions. The lesions in all 23 patients were described and documented (tunnel-like, groove-like, punch-out, crater-like). The Wallace catheter appears to be less traumatic to the endometrium (but it seems that it is important to take care to not pass the internal os with the outer sheath). The Tomcat catheter and the Frydman's set caused the more significant lesions that were observed. In this preliminary study, for the first time endometrial lesions caused by the ET catheters were directly visualized and documented. Some of these observed lesions appear to be capable of compromising the success of ET.

Pregnancy rates and gravid uterine parameters in single, twin and triplet pregnancies in naturally bred ewes and ewes after transfer of in vitro produced embryos.

PubMed

Grazul-Bilska, Anna T; Pant, Disha; Luther, Justin S; Borowicz, Pawel P; Navanukraw, Chainarong; Caton, Joel S; Ward, Marcy A; Redmer, Dale A; Reynolds, Lawrence P

2006-05-01

The objectives of this study were to: (1) evaluate the pregnancy rates after transfer of embryos produced in the presence or absence of epidermal growth factor (EGF) during in vitro maturation, and (2) compare several variables of the gravid uterus on day 140 after fertilization in single, twin and triplet pregnancies in ewes (n = 12) bred naturally and in ewes (n = 18) after transfer of embryos produced in vitro. Oocytes collected from FSH-treated ewes (n = 18) were collected from all visible follicles and cultured in maturation medium with or without EGF. Oocytes were then fertilized in vitro by frozen-thawed semen. On day 5 after fertilization, embryos with > or = 16 cells were transferred to recipient ewes (n = 39). In addition 12 ewes were bred naturally. Pregnancy was verified by real-time ultrasonography on day 45 or later after embryo transfer (ET) or breeding. On day 140 of pregnancy, the reproductive tract was collected from all ewes and the following parameters were determined: the number, sex, weight and crown to rump length (CRL) of fetuses, weights of gravid uterus and fetal membranes, and weight and number of placentomes. Presence of EGF in maturation medium increased (P < 0.04) cleavage rates (78% versus 59%) and percentage of > or = 16 cell embryos on day 5 after fertilization (62% versus 40%). Pregnancy rates tended to be greater (P < 0.1) after transfer of embryos matured in the presence of EGF (52%) than in the absence of EGF (39%). EGF presence in maturation medium did not affect any variables of gravid uterus or fetal weight. For single pregnancies in naturally bred ewes and ewes after ET all uterine variables were similar. For twin pregnancies, weight of gravid uterus, weight of uterus plus fetal membranes, total weight of placentomes/ewe, mean weight of individual placentome, mean weight of fetus, total fetal weight/ewe and CRL were greater (P < 0.0001-0.04) for ewes after ET than for ewes bred naturally. The weights of gravid uterus, fluid, uterus plus fetal membranes, fetal membranes, total placentomes/ewe, mean weight of individual placentome and total fetal weight/ewe were greater (P < 0.0001-0.08) for triplet pregnancies in ewes after ET than single and twin pregnancies in ewes naturally bred or after ET. The number of placentomes/fetus was greatest (P < 0.0001-0.06) in single pregnancies in ewes bred naturally and after ET fewer in twin pregnancies in ewes bred naturally and after ET and fewest in triplet pregnancies in ewes after ET. The total number of placentomes/ewe was greatest (P < 0.0001-0.06) for twin pregnancies in ewes naturally bred, fewer in single pregnancies in ewes naturally bred and twin and triplet pregnancies after ET, and fewest in single pregnancies in ewes after ET. The mean weight of fetus was greater (P < 0.0001-0.07) in single pregnancies in ewes naturally bred or after ET than in twin or triplet pregnancies in ewes naturally bred or after ET. The CRL was the lowest (P < 0.01) in twin pregnancies in ewes bred naturally. For pregnancies after natural breeding and after ET, the number of fetuses/ewe was negatively correlated (P < 0.03-0.0001) with the weight of placentomes/fetus, the number of placentomes/fetus, the mean weight of the fetus and CRL, and was positively correlated (P < 0.0001-0.05) with weight of gravid uterus, the total number of placentomes/ewe and total fetal weight/ewe. These data demonstrate that the presence of EGF in maturation medium increases the rates of cleavage and early embryonic development, and has a tendency to enhance rates of pregnancy but does not affect variables of the gravid uteri in ewes after transfer of in vitro produced embryos. Transfer of embryos produced in vitro affected some uterine variables in twin but not single pregnancies to compare with pregnancies after natural breeding. In addition, culture conditions in the present experiment did not create large offspring syndrome. The low number of placentomes/fetus seen in triple pregnancies appears to be compensated for by the increase in the weight of each individual placentome.

The Space Transportation System summer environment on launch pad

NASA Technical Reports Server (NTRS)

Ahmad, R. A.

1992-01-01

This paper describes a 2D flow and thermalanalysis to determine the solar effect on the Space Shuttle launch components subsequent to the external tank (ET) loading operation in extremely hot conditions. An existing CFD code Parabolic Hyperbolic or Elliptical Numerical Integration Code Series was used in the study. The analysis was done for a 2D slice between planes perpendicular to the longitudinal axis of the STS and passing through the lower portions of the Redesigned Solid Rocket Motors (RSRMs), the ET, and the wing of the Orbiter. The results are presented as local and average values of the heat transfer coefficient, and the Nusselt number, and the surface temperature around the RSRMs and the ET. Solar heating effects increased the surface temperatures of the RSRMs by 9-11 F. Higher prelaunch surface temperatures measured on the east and west RSRMs (in the inboard region between the RSRMs and the ET) during 19 most recent launches of the STS are correlated as a function of the ambient temperature.

Reinterpretation of femtosecond laser pump-probe and thermomodulation optical spectroscopy results on HTSC materials in terms of the resonant negative-U model

NASA Astrophysics Data System (ADS)

Wilson, John A.

2000-01-01

The laser pump/probe spectroscopy from Stevens et al (on YBCO7 ) and the thermomodulation optical data and analysis from Holcomb et al (on a selection of HTSC materials) are examined in terms of the resonant negative-U mechanism for high temperature superconductivity (HTSC) in the mixed-valent cuprates. The work centres on the universal 1.5-2 eV features becoming visible below Tc upon the optical `charge-transfer' edge. These it is argued are not simple p-to-d band-to-band excitations but are to be associated with the mixed-valent and negative-U states that instigate HTSC. This argument is supported both by the decay characteristics apparent in the new data recorded by Stevens et al and also in the outcome of the Eliashberg analysis developed by Holcomb et al to accommodate their own thermomodulation data. The interpretation provided is in line with that offered recently of the highly characteristic thermoelectric behaviour exhibited by all HTSC systems.

Photostable and Low-Toxic Yellow-Green Carbon Dots for Highly Selective Detection of Explosive 2,4,6-Trinitrophenol Based on the Dual Electron Transfer Mechanism.

PubMed

Ju, Bo; Wang, Yi; Zhang, Yu-Mo; Zhang, Ting; Liu, Zhihe; Li, Minjie; Xiao-An Zhang, Sean

2018-04-18

Advances in the development of fluorescent carbon dots (CDs) for detecting nitro-explosives have attracted great interest. However, developing long-wavelength luminescence CDs for highly selective determination of 2,4,6-trinitrophenol (TNP) and getting insight into the detection mechanism remain further to be investigated. Here, excitation-independent yellow-green emission CDs with good photostability and low biotoxicity were introduced for detecting TNP selectively. Then, two types of electron transfer (ET) processes including hydrogen-bond interaction-assisted ET and proton transfer-assisted ET are suggested to be responsible for their photophysical behavior. Finally, the visual detection of TNP has been successfully developed by a CD-based indicator paper. The facile, highly sensitive, and selective detection for TNP in both of a solution and a solid phase makes CDs potentially useful in environmental sensor applications.

Enhanced photovoltaic performance of ultrathin Si solar cells via semiconductor nanocrystal sensitization: Energy transfer vs. optical coupling effects

DOE PAGES

Hoang, Son; Ashraf, Ahsan; Eisaman, Matthew D.; ...

2015-12-07

Excitonic energy transfer (ET) offers exciting opportunities for advances in optoelectronic devices such as solar cells. While recent experimental attempts have demonstrated its potential in both organic and inorganic photovoltaics (PVs), what remains to be addressed is quantitative understanding of how different ET modes contribute to PV performance and how ET contribution is differentiated from the classical optical coupling (OC) effects. In this study, we implement an ET scheme using a PV device platform, comprising CdSe/ZnS nanocrystal energy donor and 500 nm-thick ultrathin Si acceptor layers, and present the quantitative mechanistic description of how different ET modes, distinguished from themore » OC effects, increase the light absorption and PV efficiency. We find that nanocrystal sensitization enhances the short circuit current of ultrathin Si solar cells by up to 35%, of which the efficient ET, primarily driven by a long-range radiative mode, contributes to 38% of the total current enhancement. Lastly, these results not only confirm the positive impact of ET but also provide a guideline for rationally combining the ET and OC effects for improved light harvesting in PV and other optoelectronic devices.« less

Enhanced photovoltaic performance of ultrathin Si solar cells via semiconductor nanocrystal sensitization: energy transfer vs. optical coupling effects.

PubMed

Hoang, Son; Ashraf, Ahsan; Eisaman, Matthew D; Nykypanchuk, Dmytro; Nam, Chang-Yong

2016-03-21

Excitonic energy transfer (ET) offers exciting opportunities for advances in optoelectronic devices such as solar cells. While recent experimental attempts have demonstrated its potential in both organic and inorganic photovoltaics (PVs), what remains to be addressed is quantitative understanding of how different ET modes contribute to PV performance and how ET contribution is differentiated from the classical optical coupling (OC) effects. In this study, we implement an ET scheme using a PV device platform, comprising CdSe/ZnS nanocrystal energy donor and 500 nm-thick ultrathin Si acceptor layers, and present the quantitative mechanistic description of how different ET modes, distinguished from the OC effects, increase the light absorption and PV efficiency. We find that nanocrystal sensitization enhances the short circuit current of ultrathin Si solar cells by up to 35%, of which the efficient ET, primarily driven by a long-range radiative mode, contributes to 38% of the total current enhancement. These results not only confirm the positive impact of ET but also provide a guideline for rationally combining the ET and OC effects for improved light harvesting in PV and other optoelectronic devices.

Physics of Unstable Nuclei

NASA Astrophysics Data System (ADS)

Khoa, Dao Tien; Egelhof, Peter; Gales, Sydney; Giai, Nguyen Van; Motobayashi, Tohru

2008-04-01

Studies at the RIKEN RI beam factory / T. Motobayashi -- Dilute nuclear states / M. Freer -- Studies of exotic systems using transfer reactions at GANIL / D. Beaumel et al. -- First results from the Magnex large-acceptance spectrometer / A. Cunsolo et al. -- The ICHOR project and spin-isospin physics with unstable beams / H. Sakai -- Structure and low-lying states of the [symbol]He exotic nucleus via direct reactions on proton / V. Lapoux et al. -- Shell gap below [symbol]Sn based on the excited states in [symbol]Cd and [symbol]In / M. Górska -- Heavy neutron-rich nuclei produced in the fragmentation of a [symbol]Pb beam / Zs. Podolyák et al. -- Breakup and incomplete fusion in reactions of weakly-bound nuclei / D.J. Hinde et al. -- Excited states of [symbol]B and [symbol]He and their cluster aspect / Y. Kanada-En'yo et al. -- Nuclear reactions with weakly-bound systems: the treatment of the continuum / C. H. Dasso, A. Vitturi -- Dynamic evolution of three-body decaying resonances / A. S. Jensen et al. -- Prerainbow oscillations in [symbol]He scattering from the Hoyle state of [symbol]C and alpha particle condensation / S. Ohkubo, Y. Hirabayashi -- Angular dispersion behavior in heavy ion elastic scattering / Q. Wang et al. -- Microscopic optical potential in relativistic approach / Z.Yu. Ma et al. -- Exotic nuclei studied in direct reactions at low momentum transfer - recent results and future perspectives at fair / P. Egelhof -- Isotopic temperatures and symmetry energy in spectator fragmentation / M. De Napoli et al. -- Multi-channel algebraic scattering theory and the structure of exotic compound nuclei / K. Amos et al. -- Results for the first feasibility study for the EXL project at the experimental storage ring at GSI / N. Kalantar-Nayestanaki et al. -- Coulomb excitation of ISOLDE neutron-rich beams along the Z = 28 chain / P. Van Duppen -- The gamma decay of the pygmy resonance far from stability and the GDR at finite temperature / G. Benzoni et al. -- Thermal pairing in nuclei / N. D. Dang -- Molecular-orbital and di-nuclei states in Ne and F isotopes / M. Kimura -- Low-momentum interactions for nuclei / A. Schwenk -- Nonrelativistic nuclear energy functionals including the tensor force / G. Colo et al. -- New aspects on dynamics in nuclei described by covariant density functional theory / P. Ring, D. Pena -- Theoretical studies on ground-state properties of superheavy nuclei / Z. Z. Ren et al. -- New results in the study of superfluid nuclei: many-body effects, spectroscopic factors / P. F. Bortignon et al. -- New Effective nucleon-nucleon interaction for the mean-field approximation / V. K. Au et al. -- Linear response calculations with the time-dependent Skyrme density functional / T. Nakatsukasa et al. -- Dissipative dynamics with exotic beams / M. Di Toro et al. -- Exploring the symmetry energy of asymmetric nuclear matter with heavy ion reactions / M. B. Tsang -- Invariant mass spectroscopy of halo nuclei / T. Nakamura et al. -- Core [symbol] structures in [symbol]C, [symbol]C and [symbol]C up to high excitation energies / H. G. Bohlen et al. -- Light neutron-rich nuclei studied by alpha-induced reactions / S. Shimoura -- Fusion and direct reactions around the Coulomb barrier for the system [symbol]He + [symbol]Zn / V. Scuderi et al. -- Analyzing power measurement for proton elastic scattering on [symbol]He / S. Sakaguchi et al. -- Knockout reaction spectroscopy of exotic nuclei / J. A. Tostevin -- Exotic nuclei, quantum phase transitions, and the evolution of structure / R. F. Casten -- Structure of exotic nuclei in the medium mass region / T. Otsuka -- Pairing correlations in halo nuclei / H. Sagawa, K. Hagino -- Experimental approach to high-temperature Stellar reactions with low-energy RI beams / S. Kubono et al. -- Transition to quark matter in neutron stars / G. X. Peng et al. -- Research at VATLY: main themes and recent results / P. N. Diep et al. -- Study of the astrophysical reaction [symbol]C([symbol], n)[symbol]O by the transfer reaction [symbol]C([symbol]Li, t)[symbol]O / F. Hammache et al. -- SPIRAL2 at GANIL: a world of leading ISOL facility for the physics of exotic nuclei / S. Gales -- Magnetic properties of light neutron-rich nuclei and shell evolution / T. Suzuki, T. Otsuka -- Multiple scattering effects in elastic and quasi free proton scattering from halo nuclei / R. Crespo et al. -- The dipole response of neutron halos and skins / T. Aumann -- Giant and pygmy resonances within axially-symmetric-deformed QRPA with the Gogny force / S. Péru, H. Goutte -- Soft K[symbol] = O+ modes unique to deformed neutron-rich unstable nuclei / K. Yoshida et al. -- Synthesis, decay properties, and identification of superheavy nuclei produced in [symbol]Ca-induced reactions / Yu. Ts. Oganessian et al. -- Highlights of the Brazilian RIB facility and its first results and hindrance of fusion cross section induced by [symbol]He / P. R. S. Gomes et al. -- Search for long fission times of super-heavy elements with Z = 114 / M. Morjean et al. -- Microscopic dynamics of shape coexistence phenomena around [symbol]Se and [symbol]Kr / N. Hinohara et al. -- [symbol]-cluster states and 4[symbol]-particle condensation in [symbol]O / Y. Funaki et al. -- Evolution of the N = 28 shell closure far from stability / O. Sorlin et al. -- Continuum QRPA approach and the surface di-neutron modes in nuclei near the neutron drip-line / M. Matsuo et al. -- Deformed relativistic Hartree-Bogoliubov model for exotic nuclei / S. G. Zhou et al. -- Two- and three-body correlations in three-body resonances and continuum states / K. Katō, K. Ikeda -- Pion- and Rho-Meson effects in relativistic Hartree-Fock and RPA / N. V. Giai et al. -- Study of the structure of neutron rich nuclei by using [symbol]-delayed neutron and gamma emission method / Y. Ye et al. -- Production of secondary radioactive [symbol] Na beam for the study of [symbol]Na([symbol], p)[symbol]Mg stellar reaction / D. N. Binh et al. -- Asymmetric nuclear matter properties within the Brueckner theory / W. Zuo et al. -- Study of giant dipole resonance in continuum relativistic random phase approximation / D. Yang et al. -- Chiral bands for quasi-proton and quasi-neutron coupling with a triaxial rotor / B. Qi et al. -- Continuum properties of the Hartree-Fock mean field with finite-range interactions / H. S. Than et al. -- A study of pairing interaction in a separable form / Y. Tian et al. -- Microscopic study of the inelastic [symbol]+[symbol]C scattering / D. C. Cuong, D. T. Khoa -- Probing the high density behavior of the symmetry energy / F. Zhang et al. -- Microscopic calculations based on a Skyrme functional plus the pairing contribution / J. Li et al. -- In-medium cross sections in Dirac-Brueckner-Hartree-Fock approach / L. Peiyan et al. -- The effect of the tensor force on single-particle states and on the isotope shift / W. Zou et al. -- [symbol]Ne excited states two-proton decay / M. De Napoli et al. -- The isomeric ratio and angular momentum of fragment [symbol]Xe in photofission of heavy nuclei / T. D. Thiep et al. -- Search for correlated two-nucleon systems in [symbol]Li and [symbol]He nuclei via one-nucleon exchange reaction / N. T. Khai et al. -- Summary talk of ISPUN07 / N. Alamanos.

Costs of achieving live birth from assisted reproductive technology: a comparison of sequential single and double embryo transfer approaches.

PubMed

Crawford, Sara; Boulet, Sheree L; Mneimneh, Allison S; Perkins, Kiran M; Jamieson, Denise J; Zhang, Yujia; Kissin, Dmitry M

2016-02-01

To assess treatment and pregnancy/infant-associated medical costs and birth outcomes for assisted reproductive technology (ART) cycles in a subset of patients using elective double embryo (ET) and to project the difference in costs and outcomes had the cycles instead been sequential single ETs (fresh followed by frozen if the fresh ET did not result in live birth). Retrospective cohort study using 2012 and 2013 data from the National ART Surveillance System. Infertility treatment centers. Fresh, autologous double ETs performed in 2012 among ART patients younger than 35 years of age with no prior ART use who cryopreserved at least one embryo. Sequential single and double ETs. Actual live birth rates and estimated ART treatment and pregnancy/infant-associated medical costs for double ET cycles started in 2012 and projected ART treatment and pregnancy/infant-associated medical costs if the double ET cycles had been performed as sequential single ETs. The estimated total ART treatment and pregnancy/infant-associated medical costs were $580.9 million for 10,001 double ETs started in 2012. If performed as sequential single ETs, estimated costs would have decreased by $195.0 million to $386.0 million, and live birth rates would have increased from 57.7%-68.0%. Sequential single ETs, when clinically appropriate, can reduce total ART treatment and pregnancy/infant-associated medical costs by reducing multiple births without lowering live birth rates. Published by Elsevier Inc.

Plio-Quaternary sedimentation in the Mozambique Channel and in the Zambezi Fan

NASA Astrophysics Data System (ADS)

Fierens, Ruth; Droz, Laurence; Toucanne, Samuel; Jorry, Stephan; Raisson, François

2017-04-01

The classical stratigraphic framework stating minimum land-to-sea transfers during periods of high relative sea-level is challenged by marine sedimentary systems in regions where climate (low latitude, monsoon-type) is dominated by the 23-ky cyclicity. Known turbidite systems at the lowest latitudes, like the Nile and Bengal systems (Ducassou et al., 2009; Weber et al., 1997) show that the supply of sediments to the deep oceanic domain could persist during relative high sea-level periods. But turbidite systems at low-latitudes still remain poorly understood. In this work, we use the Zambezi turbidite system as a case study to develop our understanding of the reactivity of deep marine sedimentary systems and land-sea transfers to low-latitude climate variability. The Zambezi Plio-Quaternary turbidite system ( 2000 km long x 500 km wide) is located within the Mozambique Channel (Indian Ocean; 11°-30°S), separating Madagascar from the African continent, in a context of high hydronamic conditions. An extensive dataset acquired strategically along the turbidite system was obtained within the scope of the PAMELA project (scientific project leaded by Ifremer and TOTAL in collaboration with Université de Bretagne Occidentale, Université Rennes 1, Université Pierre and Marie Curie, CNRS et IFPEN) and includes multibeam bathymetry, seismic reflection data and sediment cores. Preliminary results of morphological, seismic and sedimentological study suggest that this turbidite system in the Mozambique Channel is particular: i) The Zambezi Valley currently appears to be dominated by erosional or vacuity process over its entire length, which is observed within the valley as well as on the flanks; ii) Only two restricted zones of tubiditic deposition are identified; iii) The sedimentary record of the last 375 ky shows few turbidites that occurs both during glacial and interglacial periods, with a rate of recurrence of several tens of thousands of years. Additional sedimentological results demonstrate a high diversity in turbidite facies depending on the location in the Zambezi system and the pelagic sediments between these turbidites are carbon-rich and have a low sedimentation rate (average of 2.7 cm/ka). These results imply that multiple controlling factors (sediment supplies, geomorphology, along slope bottom currents inducing possible selective transport of fine particles and impact of climatic and eustatic cycles) impacted the sedimentation and led to the atypical architecture of the Zambezi turbidity system. The PhD thesis of Ruth Fierens is co-funded by TOTAL and IFREMER as part of the PAMELA (Passive Margin Exploration Laboratories) scientific project. Cited references Ducassou et al., 2009. Evolution of the Nile deep-sea turbidite system during the Late Quaternary: influence of climate change on fan sedimentation. Sedimentology 56(7), 2061-2090. Weber et al., 1997. Active growth of the Bengal Fan during sea-level rise and highstand. Geology, 25(4), 315-318.

Water Vapor in Titan’s Stratosphere from Cassini CIRS Far-infrared Spectra

NASA Astrophysics Data System (ADS)

Cottini, Valeria; Nixon, C. A.; Jennings, D. E.; Anderson, C. M.; Gorius, N.; Bjoraker, G. L.; Coustenis, A.; Teanby, N. A.; Achterberg, R. K.; Bézard, B.; de Kok, R.; Lellouch, E.; Irwin, P. G. J.; Flasar, F. M.; Bampasidis, G.

2012-10-01

We will report the measurement of water vapor in Titan’s stratosphere (Cottini et al. 2012), using the Cassini Composite Infrared Spectrometer (CIRS, Flasar et al. 2004). CIRS senses water emissions in the far infrared spectral region near 50 microns, which we have modeled using a radiative transfer code (NEMESIS, Irwin et al. 2008). From the analysis of nadir spectra we have derived a mixing ratio of 0.14 ± 0.05 ppb at an altitude of 97 km, which corresponds to an integrated (from 0 to 600 km) surface normalized column abundance of 3.7±1.3 × 1014 molecules/cm2. In the latitude range 80°S to 30°N we see no evidence for latitudinal variations in these abundances within the error bars. Using limb observations, we obtained mixing ratios of 0.13 ± 0.04 ppb at an altitude of 115 km and 0.45 ± 0.15 ppb at an altitude of 230 km, confirming that the water abundance has a positive vertical gradient as predicted by previous photochemical models. We have also fitted our data using scaling factors of 0.1-0.6 to these photochemical model profiles, indicating that the models over-predict the water abundance in Titan’s lower stratosphere. Valeria Cottini is supported by the NASA Postdoctoral Program. References Cottini V. et al., 2012. Detection of water vapor in Titan’s atmosphere from Cassini/CIRS infrared spectra. Icarus, 220, 2, 855-862 Flasar, F.M., and 44 colleagues, 2004. Exploring the Saturn system in the thermal infrared: The Composite Infrared Spectrometer. Space Sci. Rev., 115, 169-297 Irwin, P.G.J., et al., 2008. The NEMESIS planetary atmosphere radiative transfer and retrieval tool. J. Quant. Spectrosc. Radiat. Trans., 109, 1136-1150.

Satellite time-transfer: recent developments and projects

NASA Astrophysics Data System (ADS)

Lewandowski, W.; Nawrocki, J.

2006-10-01

Global Navigation Satellite Systems (GNSS) keep a central role in the international timekeeping. American Global Positioning System (GPS) is a navigation system that has proven itself to be a reliable source of positioning for both the military community and the civilian community. But, little known by many, is the fact that GPS has proven itself to be an important and valuable utility to the timekeeping community (Lewandowski et al. 1999). GPS is a versatile and global tool which can be used to both distribute time to an arbitrary number of users and synchronise clocks over large distances with a high degree of precision and accuracy. Similar performance can be obtained with Russian Global Navigation Satellite System (GLONASS). It is expected in the near future satellites of a new European navigation system GALILEO might bring some important opportunities for international timekeeping. This paper after a brief introduction to international timekeeping focuses on the description of recent progress in time transfer techniques using GNSS satellites.

Simulation of solution phase electron transfer in a compact donor-acceptor dyad.

PubMed

Kowalczyk, Tim; Wang, Lee-Ping; Van Voorhis, Troy

2011-10-27

Charge separation (CS) and charge recombination (CR) rates in photosynthetic architectures are difficult to control, yet their ratio can make or break photon-to-current conversion efficiencies. A rational design approach to the enhancement of CS over CR requires a mechanistic understanding of the underlying electron-transfer (ET) process, including the role of the environment. Toward this goal, we introduce a QM/MM protocol for ET simulations and use it to characterize CR in the formanilide-anthraquinone dyad (FAAQ). Our simulations predict fast recombination of the charge-transfer excited state, in agreement with recent experiments. The computed electronic couplings show an electronic state dependence and are weaker in solution than in the gas phase. We explore the role of cis-trans isomerization on the CR kinetics, and we find strong correlation between the vertical energy gaps of the full simulations and a collective solvent polarization coordinate. Our approach relies on constrained density functional theory to obtain accurate diabatic electronic states on the fly for molecular dynamics simulations, while orientational and electronic polarization of the solvent is captured by a polarizable force field based on a Drude oscillator model. The method offers a unified approach to the characterization of driving forces, reorganization energies, electronic couplings, and nonlinear solvent effects in light-harvesting systems.

Extracting electron transfer coupling elements from constrained density functional theory

NASA Astrophysics Data System (ADS)

Wu, Qin; Van Voorhis, Troy

2006-10-01

Constrained density functional theory (DFT) is a useful tool for studying electron transfer (ET) reactions. It can straightforwardly construct the charge-localized diabatic states and give a direct measure of the inner-sphere reorganization energy. In this work, a method is presented for calculating the electronic coupling matrix element (Hab) based on constrained DFT. This method completely avoids the use of ground-state DFT energies because they are known to irrationally predict fractional electron transfer in many cases. Instead it makes use of the constrained DFT energies and the Kohn-Sham wave functions for the diabatic states in a careful way. Test calculations on the Zn2+ and the benzene-Cl atom systems show that the new prescription yields reasonable agreement with the standard generalized Mulliken-Hush method. We then proceed to produce the diabatic and adiabatic potential energy curves along the reaction pathway for intervalence ET in the tetrathiafulvalene-diquinone (Q-TTF-Q) anion. While the unconstrained DFT curve has no reaction barrier and gives Hab≈17kcal /mol, which qualitatively disagrees with experimental results, the Hab calculated from constrained DFT is about 3kcal /mol and the generated ground state has a barrier height of 1.70kcal/mol, successfully predicting (Q-TTF-Q)- to be a class II mixed-valence compound.

Efficient radiative transfer techniques in hydrodynamic simulations

NASA Astrophysics Data System (ADS)

Mercer, A.; Stamatellos, D.; Dunhill, A.

2018-05-01

Radiative transfer is an important component of hydrodynamic simulations as it determines the thermal properties of a physical system. It is especially important in cases where heating and cooling regulate significant processes, such as in the collapse of molecular clouds, the development of gravitational instabilities in protostellar discs, disc-planet interactions, and planet migration. We compare two approximate radiative transfer methods which indirectly estimate optical depths within hydrodynamic simulations using two different metrics: (i) the gravitational potential and density of the gas (Stamatellos et al.), and (ii) the pressure scale-height (Lombardi et al.). We find that both methods are accurate for spherical configurations e.g. in collapsing molecular clouds and within clumps that form in protostellar discs. However, the pressure scale-height approach is more accurate in protostellar discs (low and high-mass discs, discs with spiral features, discs with embedded planets). We also investigate the β-cooling approximation which is commonly used when simulating protostellar discs, and in which the cooling time is proportional to the orbital period of the gas. We demonstrate that the use of a constant β cannot capture the wide range of spatial and temporal variations of cooling in protostellar discs, which may affect the development of gravitational instabilities, planet migration, planet mass growth, and the orbital properties of planets.

Synthesis and photophysical properties of new catenated electron donor-acceptor materials with magnesium and free base porphyrins as donors and C60 as the acceptor

NASA Astrophysics Data System (ADS)

Kirner, Sabrina V.; Guldi, Dirk M.; Megiatto, Jackson D., Jr.; Schuster, David I.

2014-12-01

A new series of nanoscale electron donor-acceptor systems with [2]catenane architectures has been synthesized, incorporating magnesium porphyrin (MgP) or free base porphyrin (H2P) as electron donor and C60 as electron acceptor, surrounding a central tetrahedral Cu(i)-1,10-phenanthroline (phen) complex. Model catenated compounds incorporating only one or none of these photoactive moieties were also prepared. The synthesis involved the use of Sauvage's metal template protocol in combination with the 1,3-dipolar cycloaddition of azides and alkynes (``click chemistry''), as in other recent reports from our laboratories. Ground state electron interactions between the individual constituents was probed using electrochemistry and UV-vis absorption spectroscopy, while events occurring following photoexcitation in tetrahydrofuran (under both aerobic and anaerobic conditions) at various wavelengths were followed by means of time-resolved transient absorption and emission spectroscopies on the femtosecond and nanosecond time scales, respectively, complemented by measurements of quantum yields for generation of singlet oxygen. From similar studies with model catenates containing one or neither of the chromophores, the events following photoexcitation could be elucidated. The results were compared with those previously reported for analogous catenates based on zinc porphyrin (ZnP). It was determined that a series of energy transfer (EnT) and electron transfer (ET) processes take place in the present catenates, ultimately generating long-distance charge separated (CS) states involving oxidized porphyrin and reduced C60 moieties, with lifetimes ranging from 400 to 1060 nanoseconds. Shorter lived short-distance CS states possessing oxidized copper complexes and reduced C60, with lifetimes ranging from 15 to 60 ns, were formed en route to the long-distance CS states. The dynamics of the ET processes were analyzed in terms of their thermodynamic driving forces. It was clear that intramolecular back ET was occurring in the inverted region of the Marcus parabola correlating rates and driving forces for electron transfer processes. In addition, evidence for triplet excited states as a product of either incomplete ET or back ET was found. The differences in behavior of the three catenates upon photoexcitation are analyzed in terms of the energy levels of the various intermediate states and the driving forces for EnT and ET processes.

Electrostatic redesign of the [myoglobin, cytochrome b5] interface to create a well-defined docked complex with rapid interprotein electron transfer.

PubMed

Xiong, Peng; Nocek, Judith M; Griffin, Amanda K K; Wang, Jingyun; Hoffman, Brian M

2009-05-27

Cyt b(5) is the electron-carrier "repair" protein that reduces met-Mb and met-Hb to their O(2)-carrying ferroheme forms. Studies of electron transfer (ET) between Mb and cyt b(5) revealed that they react on a "Dynamic Docking" (DD) energy landscape on which binding and reactivity are uncoupled: binding is weak and involves an ensemble of nearly isoenergetic configurations, only a few of which are reactive; those few contribute negligibly to binding. We set the task of redesigning the surface of Mb so that its reaction with cyt b(5) instead would occur on a conventional "simple docking" (SD) energy landscape, on which a complex exhibits a well-defined (set of) reactive binding configuration(s), with binding and reactivity thus no longer being decoupled. We prepared a myoglobin (Mb) triple mutant (D44K/D60K/E85K; Mb(+6)) substituted with Zn-deuteroporphyrin and monitored cytochrome b(5) (cyt b(5)) binding and electron transfer (ET) quenching of the (3)ZnMb(+6) triplet state. In contrast, to Mb(WT), the three charge reversals around the "front-face" heme edge of Mb(+6) have directed cyt b(5) to a surface area of Mb adjacent to its heme, created a well-defined, most-stable structure that supports good ET pathways, and apparently coupled binding and ET: both K(a) and k(et) are increased by the same factor of approximately 2 x 10(2), creating a complex that exhibits a large ET rate constant, k(et) = 10(6 1) s(-1), and is in slow exchange (k(off) < k(et)). In short, these mutations indeed appear to have created the sought-for conversion from DD to simple docking (SD) energy landscapes.

Mechanism of intramolecular electron transfer in the photoexcited Zn-substituted cytochrome c: theoretical and experimental perspective.

PubMed

Tokita, Yuichi; Shimura, Jusuke; Nakajima, Hiroshi; Goto, Yoshio; Watanabe, Yoshihito

2008-04-16

Photoinduced electron transfer (ET) in zinc-substituted cytochrome c (Zn-cyt c) has been utilized in many studies on the long-range ET in protein. Attempting to understand its ET mechanism in terms of electronic structure of the molecule, we have calculated an all-electron wave function for the ground-state of Zn-cyt c on the basis of density functional theory (DFT). The four molecular orbitals (MOs) responsible for excitation by UV-vis light (Gouterman's 4-orbitals) are assigned on the basis of the excited states of chromophore model for Zn-porphine complex calculated with the time-dependent DFT method. ET rates between each Gouterman's 4-orbitals and other MOs were estimated using Fermi's golden rule. It appeared that the two occupied MOs of the 4-orbitals show exclusively higher ET rate from/to particular MOs that localize on outermost amino acid residues (Lys 7 or Asn 54), respectively, whereas ET rates involving the two unoccupied MOs of the 4-orbitals are much slower. These results imply that the intramolecular ET in photoexcited Zn-cyt c is governed by the hole transfer through occupied MOs. The couplings of MOs between zinc porphyrin core and specific amino acid residues on the protein surface have been demonstrated in Zn-cyt c immobilized on an Au electrode via carboxylic acid group-terminated self-assembled monolayer. The Zn-cyt c-modified electrode showed photocurrents responsible for photoillumination. The action spectrum of the photocurrent was identical with the absorption spectrum of Zn-cyt c, indicating photoinduced electron conduction via occupied MOs. The voltage dependence of the photocurrent appeared to be linear and bidirectional like a photoconductor, which strongly supports the intramolecular ET mechanism in Zn-cyt c proposed on the basis of the theoretical calculations.

Laser ranging application to time transfer using geodetic satellite and to other Japanese space programs

NASA Technical Reports Server (NTRS)

Kunimori, Hiroo; Takahashi, Fujinobu; Itabe, Toshikazu; Yamamoto, Atsushi

1993-01-01

Communications Research Laboratory (CRL) has been developing a laser time transfer system using a satellite laser ranging (SLR) system. We propose Japanese geodetic satellite 'AJISAI', launched in 1986 as a target satellite. The surface is covered not only with corner cube reflectors but also with mirrors. The mirrors are originally designed for observation of flushing solar light reflected by the separate mirrors while the satellite is spinning. In the experiment, synchronized laser pulses are transferred via specified mirror from one station to another while the satellite is up on the horizon to both stations. The system is based on the epoch timing ranging system with 40 ps ranging precision, connected together with UTC(CRL). Simulation study indicates that two stations at thousands of km distance from each other can be linked with signal strength of more than 10 photons and the distributed images of laser beam from AJISAI mirrors give many chances for two stations to link each other during a single AJISAI pass. Retro-reflector In Space for Advanced Earth Observation Satellite (ADEOS) and RendDezVous docking mission of Experimental Technology Satellite-7 (ETS-7) are briefly presented.

Rapid reaccumulation of hydrometra after drainage at embryo transfer in patients with hydrosalpinx.

PubMed

Hinckley, Mary D; Milki, Amin A

2003-11-01

To report the occurrence and management of hydrometra at the time of scheduled embryo transfer in two patients who underwent drainage of hydrosalpinges at oocyte retrieval. Case report. University IVF clinic. Two patients with hydrosalpinges visible on ultrasonography who deferred tubal surgery. Although no fluid was seen at the time of oocyte retrieval, hydrometra was noticed and drained before planned embryo transfer (ET). Reoccurrence of hydrometra after drainage. Rapid reaccumulation of hydrometra despite drainage was seen in both patients, one of whom had reoccurrence in 1 hour. Embryo transfer was deferred until after tubal surgery, and all embryos were cryopreserved. In patients with hydrosalpinges, ultrasonography before ET is useful to detect newly developed hydrometra. Aspiration of the uterine fluid is unlikely to help because of rapid reaccumulation of hydrometra. Cryopreservation of the embryos for future transfer after the hydrosalpinx is removed or ligated is recommended.

Theory of Exciton Energy Transfer in Carbon Nanotube Composites

DOE PAGES

Davoody, A. H.; Karimi, F.; Arnold, M. S.; ...

2016-06-24

Here, we compute the exciton transfer (ET) rate between semiconducting single-wall carbon nanotubes (SWNTs). We show that the main reasons for the wide range of measured ET rates reported in the literature are (1) exciton confinement in local quantum wells stemming from disorder in the environment and (2) exciton thermalization between dark and bright states due to intratube scattering. The SWNT excitonic states are calculated by solving the Bethe–Salpeter equation using tight-binding basis functions. The ET rates due to intertube Coulomb interaction are computed via Fermi’s golden rule. In pristine samples, the ET rate between parallel (bundled) SWNTs of similarmore » chirality is very high (~10 14 s –1), while the ET rate for dissimilar or nonparallel tubes is considerably lower (~10 12 s –1). Exciton confinement reduces the ET rate between same-chirality parallel SWNTs by 2 orders of magnitude but has little effect otherwise. Consequently, the ET rate in most measurements will be on the order of 10 12 s –1, regardless of the tube relative orientation or chirality. Exciton thermalization between bright and dark states further reduces the ET rate to ~10 11 s –1. The ET rate also increases with increasing temperature and decreases with increasing dielectric constant of the surrounding medium.« less

Theory of Exciton Energy Transfer in Carbon Nanotube Composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davoody, A. H.; Karimi, F.; Arnold, M. S.

Here, we compute the exciton transfer (ET) rate between semiconducting single-wall carbon nanotubes (SWNTs). We show that the main reasons for the wide range of measured ET rates reported in the literature are (1) exciton confinement in local quantum wells stemming from disorder in the environment and (2) exciton thermalization between dark and bright states due to intratube scattering. The SWNT excitonic states are calculated by solving the Bethe–Salpeter equation using tight-binding basis functions. The ET rates due to intertube Coulomb interaction are computed via Fermi’s golden rule. In pristine samples, the ET rate between parallel (bundled) SWNTs of similarmore » chirality is very high (~10 14 s –1), while the ET rate for dissimilar or nonparallel tubes is considerably lower (~10 12 s –1). Exciton confinement reduces the ET rate between same-chirality parallel SWNTs by 2 orders of magnitude but has little effect otherwise. Consequently, the ET rate in most measurements will be on the order of 10 12 s –1, regardless of the tube relative orientation or chirality. Exciton thermalization between bright and dark states further reduces the ET rate to ~10 11 s –1. The ET rate also increases with increasing temperature and decreases with increasing dielectric constant of the surrounding medium.« less

Evapotranspiration: A process driving mass transport and energy exchange in the soil-plant-atmosphere-climate system

NASA Astrophysics Data System (ADS)

Katul, Gabriel G.; Oren, Ram; Manzoni, Stefano; Higgins, Chad; Parlange, Marc B.

2012-09-01

The role of evapotranspiration (ET) in the global, continental, regional, and local water cycles is reviewed. Elevated atmospheric CO2, air temperature, vapor pressure deficit (D), turbulent transport, radiative transfer, and reduced soil moisture all impact biotic and abiotic processes controlling ET that must be extrapolated to large scales. Suggesting a blueprint to achieve this link is the main compass of this review. Leaf-scale transpiration (fe) as governed by the plant biochemical demand for CO2 is first considered. When this biochemical demand is combined with mass transfer formulations, the problem remains mathematically intractable, requiring additional assumptions. A mathematical "closure" that assumes stomatal aperture is autonomously regulated so as to maximize the leaf carbon gain while minimizing water loss is proposed, which leads to analytical expressions for leaf-scale transpiration. This formulation predicts well the effects of elevated atmospheric CO2 and increases in D on fe. The case of soil moisture stress is then considered using extensive gas exchange measurements collected in drought studies. Upscaling the fe to the canopy is then discussed at multiple time scales. The impact of limited soil water availability within the rooting zone on the upscaled ET as well as some plant strategies to cope with prolonged soil moisture stress are briefly presented. Moving further up in direction and scale, the soil-plant system is then embedded within the atmospheric boundary layer, where the influence of soil moisture on rainfall is outlined. The review concludes by discussing outstanding challenges and how to tackle them by means of novel theoretical, numerical, and experimental approaches.

VIS and NIR land surface albedo sensitivity of the Ent Terrestrial Biosphere Model to forcing leaf area index

NASA Astrophysics Data System (ADS)

Montes, C.; Kiang, N. Y.; Ni-Meister, W.; Yang, W.; Schaaf, C.; Aleinov, I. D.; Jonas, J.; Zhao, F. A.; Yao, T.; Wang, Z.; Sun, Q.; Carrer, D.

2016-12-01

Land surface albedo is a major controlling factor in vegetation-atmosphere transfers, modifying the components of the energy budget, the ecosystem productivity and patterns of regional and global climate. General Circulation Models (GCMs) are coupled to Dynamic Global Vegetation Models (DGVMs) to solve vegetation albedo by using simple schemes prescribing albedo based on vegetation classification, and approximations of canopy radiation transport for multiple plant functional types (PFTs). In this work, we aim at evaluating the sensitivity of the NASA Ent Terrestrial Biosphere Model (TBM), a demographic DGVM coupled to the NASA Goddard Institute for Space Studies (GISS) GCM, in estimating VIS and NIR surface albedo by using variable forcing leaf area index (LAI). The Ent TBM utilizes a new Global Vegetation Structure Dataset (GVSD) to account for geographically varying vegetation tree heights and densities, as boundary conditions to the gap-probability based Analytical Clumped Two-Stream (ACTS) canopy radiative transfer scheme (Ni-Meister et al., 2010). Land surface and vegetation characteristics for the Ent GVSD are obtained from a number of earth observation platforms and algorithms, including the Moderate Resolution Imaging Spectroradiometer (MODIS) land cover and plant functional types (PFTs) (Friedl et al., 2010), soil albedo derived from MODIS (Carrer et al., 2014), and vegetation height from the Geoscience Laser Altimeter System (GLAS) on board ICESat (Ice, Cloud, and land Elevation Satellite) (Simard et al., 2011; Tang et al., 2014). Three LAI products are used as input to ACTS/Ent TBM: MODIS MOD15A2H product (Yang et al., 2006), Beijing Normal University LAI (Yuan et al., 2011), and Global Data Sets of Vegetation (LAI3g) (Zhu et al. 2013). The sensitivity of the Ent TBM VIS and NIR albedo to the three LAI products is assessed, compared against the previous GISS GCM vegetation classification and prescribed Lambertian albedoes (Matthews, 1984), and against MODIS snow-free black-sky and white-sky albedo estimates. In addition, we test the sensitivity of the Ent/ACTS albedo to different sets of leaf spectral albedos derived from the literature.

KSC-05PD-0562

NASA Technical Reports Server (NTRS)

2005-01-01

KENNEDY SPACE CENTER, FLA. In the Vehicle Assembly Building at NASAs Kennedy Space Center, workers check the digital still camera they will mount in the External Tank (ET) umbilical well on the aft end of Space Shuttle Discovery. The camera is being used to obtain and downlink high-resolution images of the disconnect point on the ET following the tank's separation from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

KSC-05PD-0561

NASA Technical Reports Server (NTRS)

2005-01-01

KENNEDY SPACE CENTER, FLA. In the Vehicle Assembly Building at NASAs Kennedy Space Center, workers prepare a digital still camera they will mount in the External Tank (ET) umbilical well on the aft end of Space Shuttle Discovery. The camera is being used to obtain and downlink high-resolution images of the disconnect point on the ET following its separation from the orbiter after launch. The Kodak camera will record 24 images, at one frame per 1.5 seconds, on a flash memory card. After orbital insertion, the crew will transfer the images from the memory card to a laptop computer. The files will then be downloaded through the Ku-band system to the Mission Control Center in Houston for analysis.

Evapotranspiration of urban landscapes in Los Angeles, California at the municipal scale

NASA Astrophysics Data System (ADS)

Litvak, E.; Manago, K. F.; Hogue, T. S.; Pataki, D. E.

2017-05-01

Evapotranspiration (ET), an essential process in biosphere-atmosphere interactions, is highly uncertain in cities that maintain cultivated and irrigated landscapes. We estimated ET of irrigated landscapes in Los Angeles by combining empirical models of turfgrass ET and tree transpiration derived from in situ measurements with previously developed remotely sensed estimates of vegetation cover and ground-based vegetation surveys. We modeled irrigated landscapes as a two-component system comprised of trees and turfgrass to assess annual and spatial patterns of ET. Annual ET from vegetated landscapes (ETveg) was 1110 ± 53 mm/yr and ET from the whole city (vegetated and nonvegetated areas, ETland) was three times smaller, reflecting the fractional vegetation cover. With the exception of May and June, monthly ETland was significantly higher than predicted by the North American Land Data Assimilation System. ETveg was close to potential ET, indicating abundant irrigation inputs. Monthly averaged ETveg varied from 1.5 ± 0.1 mm/d (December) to 4.3 ± 0.2 mm/d (June). Turfgrass was responsible for ˜70% of ETveg. For trees, angiosperm species (71% of all trees) contributed over 90% to total tree transpiration, while coniferous and palm species made very small contributions. ETland was linearly correlated with median household income across the city, confirming the importance of social factors in determining spatial distribution of urban vegetation. These estimates have important implications for constraining the municipal water budget of Los Angeles and improving regional-scale hydrologic models, as well as for developing water-saving practices. The methodology used in this study is also transferable to other semiarid regions for quantification of urban landscape ET.

Changing the ligation of the distal [4Fe4S] cluster in NiFe hydrogenase impairs inter- and intramolecular electron transfers.

PubMed

Dementin, Sébastien; Belle, Valérie; Bertrand, Patrick; Guigliarelli, Bruno; Adryanczyk-Perrier, Géraldine; De Lacey, Antonio L; Fernandez, Victor M; Rousset, Marc; Léger, Christophe

2006-04-19

In NiFe hydrogenases, electrons are transferred from the active site to the redox partner via a chain of three Iron-Sulfur clusters, and the surface-exposed [4Fe4S] cluster has an unusual His(Cys)3 ligation. When this Histidine (H184 in Desulfovibrio fructosovorans) is changed into a cysteine or a glycine, a distal cubane is still assembled but the oxidative activity of the mutants is only 1.5 and 3% of that of the WT, respectively. We compared the activities of the WT and engineered enzymes for H2 oxidation, H+ reduction and H/D exchange, under various conditions: (i) either with the enzyme directly adsorbed onto an electrode or using soluble redox partners, and (ii) in the presence of exogenous ligands whose binding to the exposed Fe of H184G was expected to modulate the properties of the distal cluster. Protein film voltammetry proved particularly useful to unravel the effects of the mutations on inter and intramolecular electron transfer (ET). We demonstrate that changing the coordination of the distal cluster has no effect on cluster assembly, protein stability, active-site chemistry and proton transfer; however, it slows down the first-order rates of ET to and from the cluster. All-sulfur coordination is actually detrimental to ET, and intramolecular (uphill) ET is rate determining in the glycine variant. This demonstrates that although [4Fe4S] clusters are robust chemical constructs, the direct protein ligands play an essential role in imparting their ability to transfer electrons.

Increasing the magnetic-field capability of the magneto-inertial fusion electrical discharge system using an inductively coupled coil

NASA Astrophysics Data System (ADS)

Barnak, D. H.; Davies, J. R.; Fiksel, G.; Chang, P.-Y.; Zabir, E.; Betti, R.

2018-03-01

Magnetized high energy density physics (HEDP) is a very active and relatively unexplored field that has applications in inertial confinement fusion, astrophysical plasma science, and basic plasma physics. A self-contained device, the Magneto-Inertial Fusion Electrical Discharge System, MIFEDS [G. Fiksel et al., Rev. Sci. Instrum. 86, 016105 (2015)], was developed at the Laboratory for Laser Energetics to conduct magnetized HEDP experiments on both the OMEGA [T. R. Boehly et al., Opt. Commun. 133, 495-506 (1997)] and OMEGA EP [J. H. Kelly et al., J. Phys. IV France 133, 75 (2006) and L. J. Waxer et al., Opt. Photonics News 16, 30 (2005)] laser systems. Extremely high magnetic fields are a necessity for magnetized HEDP, and the need for stronger magnetic fields continues to drive the redevelopment of the MIFEDS device. It is proposed in this paper that a magnetic coil that is inductively coupled rather than directly connecting to the MIFEDS device can increase the overall strength of the magnetic field for HEDP experiments by increasing the efficiency of energy transfer while decreasing the effective magnetized volume. A brief explanation of the energy delivery of the MIFEDS device illustrates the benefit of inductive coupling and is compared to that of direct connection for varying coil size and geometry. A prototype was then constructed to demonstrate a 7-fold increase in energy delivery using inductive coupling.

Rotordynamic Analysis with Shell Elements for the Transfer Matrix Method

DTIC Science & Technology

1989-08-01

consistent kindness and extraordinarily good direction in the completion of this work. I am very pleased to acknowledge my brothers in Christ. Vinai ...modelling used in the transfer ma- trix approach. Rouch et al., (1979), Nelson (1980), To (1981), Greenhill et al., (1985), and Gupta (1986) have all...Reliability in Design, Vol. 107, pp. 4 2 1-4 3 0 . Gupta , A.K., 1986, --Finite Element Analysis of Vibration of Tapered Beams," Shock and Vibration

Embryo transfer by reproductive endocrinology fellows vs attending physicians: are live birth rates comparable?

PubMed

Eaton, Jennifer L; Zhang, Xingqi; Barnes, Randall B

2014-11-01

To compare live birth rates following ultrasound-guided embryo transfer (ET) by reproductive endocrinology and infertility fellows versus attending physicians. Women who underwent their first day-3, fresh, nondonor ET between Oct. 1, 2005, and April 1, 2011, at our academic center were included in this retrospective cohort study. Embryos were designated high quality if they had 8 cells, less than 10% fragmentation, and no asymmetry. ET was performed with the afterload technique under ultrasound guidance. Categorical variables were evaluated with the χ(2) test and continuous variables with the Student t test. Logistic regression was performed to assess the relationship between ET physician and live birth rate while adjusting for potential confounders. Seven hundred sixty women underwent ET by an attending physician, and 104 by a fellow. Baseline characteristics were similar between the groups. The live birth rate was 31% following ET by an attending physician, compared with 34% following ET by a fellow (P = .65). Logistic regression adjusting for potential confounders demonstrated no significant association between ET physician and live birth rate. This retrospective study demonstrated no significant difference in live birth rates following ultrasound-guided ET by fellows vs attending physicians at our institution. These data suggest that academic practices using the afterload method and ultrasound guidance can train fellows to perform ET without compromising success rates. Copyright © 2014 Elsevier Inc. All rights reserved.

Dimensionality of nanoscale TiO 2 determines the mechanism of photoinduced electron injection from a CdSe nanoparticle

DOE PAGES

Tafen, De Nyago; Long, Run; Prezhdo, Oleg V.

2014-03-10

Assumptions about electron transfer (ET) mechanisms guide design of catalytic, photovoltaic, and electronic systems. We demonstrate that the mechanism of ET from a CdSe quantum dot (QD) into nanoscale TiO 2 depends on TiO 2 dimensionality. The injection into a TiO 2 QD is adiabatic due to strong donor–acceptor coupling, arising from unsaturated chemical bonds on the QD surface, and low density of acceptor states. In contrast, the injection into a TiO 2 nanobelt (NB) is nonadiabatic, because the state density is high, the donor–acceptor coupling is weak, and multiple phonons accommodate changes in the electronic energy. The CdSe adsorbantmore » breaks symmetry of delocalized TiO 2 NB states, relaxing coupling selection rules, and generating more ET channels. Both mechanisms can give efficient ultrafast injection. Furthermore, the dependence on system properties is very different for the two mechanisms, demonstrating that the fundamental principles leading to efficient charge separation depend strongly on the type of nanoscale material.« less

Dimensionality of nanoscale TiO 2 determines the mechanism of photoinduced electron injection from a CdSe nanoparticle

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tafen, De Nyago; Long, Run; Prezhdo, Oleg V.

Assumptions about electron transfer (ET) mechanisms guide design of catalytic, photovoltaic, and electronic systems. We demonstrate that the mechanism of ET from a CdSe quantum dot (QD) into nanoscale TiO 2 depends on TiO 2 dimensionality. The injection into a TiO 2 QD is adiabatic due to strong donor–acceptor coupling, arising from unsaturated chemical bonds on the QD surface, and low density of acceptor states. In contrast, the injection into a TiO 2 nanobelt (NB) is nonadiabatic, because the state density is high, the donor–acceptor coupling is weak, and multiple phonons accommodate changes in the electronic energy. The CdSe adsorbantmore » breaks symmetry of delocalized TiO 2 NB states, relaxing coupling selection rules, and generating more ET channels. Both mechanisms can give efficient ultrafast injection. Furthermore, the dependence on system properties is very different for the two mechanisms, demonstrating that the fundamental principles leading to efficient charge separation depend strongly on the type of nanoscale material.« less

Probing the Compound I-like reactivity of a bare high-valent oxo iron porphyrin complex: the oxidation of tertiary amines.

PubMed

Chiavarino, Barbara; Cipollini, Romano; Crestoni, Maria Elisa; Fornarini, Simonetta; Lanucara, Francesco; Lapi, Andrea

2008-03-12

The mechanisms of oxidative N-dealkylation of amines by heme enzymes including peroxidases and cytochromes P450 and by functional models for the active Compound I species have long been studied. A debated issue has concerned in particular the character of the primary step initiating the oxidation sequence, either a hydrogen atom transfer (HAT) or an electron transfer (ET) event, facing problems such as the possible contribution of multiple oxidants and complex environmental effects. In the present study, an oxo iron(IV) porphyrin radical cation intermediate 1, [(TPFPP)*+ Fe(IV)=O]+ (TPFPP = meso-tetrakis (pentafluorophenyl)porphinato dianion), functional model of Compound I, has been produced as a bare species. The gas-phase reaction with amines (A) studied by ESI-FT-ICR mass spectrometry has revealed for the first time the elementary steps and the ionic intermediates involved in the oxidative activation. Ionic products are formed involving ET (A*+, the amine radical cation), formal hydride transfer (HT) from the amine ([A(-H)]+, an iminium ion), and oxygen atom transfer (OAT) to the amine (A(O), likely a carbinolamine product), whereas an ionic product involving a net initial HAT event is never observed. The reaction appears to be initiated by an ET event for the majority of the tested amines which included tertiary aliphatic and aromatic amines as well as a cyclic and a secondary amine. For a series of N,N-dimethylanilines the reaction efficiency for the ET activated pathways was found to correlate with the ionization energy of the amine. A stepwise pathway accounts for the C-H bond activation resulting in the formal HT product, namely a primary ET process forming A*+, which is deprotonated at the alpha-C-H bond forming an N-methyl-N-arylaminomethyl radical, A(-H)*, readily oxidized to the iminium ion, [A(-H)]+. The kinetic isotope effect (KIE) for proton transfer (PT) increases as the acidity of the amine radical cation increases and the PT reaction to the base, the ferryl group of (TPFPP)Fe(IV)=O, approaches thermoneutrality. The ET reaction displayed by 1 with gaseous N,N-dimethylaniline finds a counterpart in the ET reactivity of FeO+, reportedly a potent oxidant in the gas phase, and with the barrierless ET process for a model (P)*+ Fe(IV)=O species (where P is the porphine dianion) as found by theoretical calculations. Finally, the remarkable OAT reactivity of 1 with C6F5N(CH3)2 may hint to a mechanism along a route of diverse spin multiplicity.

FRET Sensor for Erythrosine Dye Based on Organic Nanoparticles: Application to Analysis of Food Stuff.

PubMed

Mahajan, Prasad G; Bhopate, Dhanaji P; Kolekar, Govind B; Patil, Shivajirao R

2016-07-01

An aqueous suspension of fluorescent nanoparticles (PHNNPs) of naphthol based fluorescent organic compound 1-[(Z)-(2-phenylhydrazinylidene) methyl] naphthalene -2-ol (PHN) were prepared using reprecipitation method shows bathochromically shifted aggregation induced enhanced emission (AIEE) in the spectral region where erythrosine (ETS) food dye absorbs strongly. The average size of 72.6 nm of aqueous suspension of PHNNPs obtained by Dynamic light scattering results shows a narrow particle size distribution. The negative zeta potential of nano probe (-22.6 mV) responsible to adsorb oppositely charged analyte on its surface and further permit to bind nano probe and analyte within the close distance proximity required for efficient fluorescence resonance energy transfer (FRET) to take place from donor (PHNNPs) to acceptor (ETS). Systematic FRET experiments performed by measuring fluorescence quenching of PHNNPs with successive addition of ETS solution exploited the use of the PHNNPs as a novel nano probe for the detection of ETS in aqueous solution with extremely lower limit of detection equal to 3.6 nM (3.1 ng/mL). The estimation of photo kinetic and thermodynamic parameters such as quenching rate constant, enthalpy change (∆H), Gibbs free energy change (∆G) and entropy change (∆S) was obtained by the quenching results obtained at different constant temperatures which were found to fit the well-known Stern-Volmer relation. The mechanism of binding and fluorescence quenching of PHNNPs by ETS food dye is proposed on the basis of results obtained in photophysical studies, thermodynamic parameter, energy transfer efficiency, critical energy transfer distance (R0) and distance of approach between donor-acceptor molecules (r). The proposed FRET method based on fluorescence quenching of PHNNPs was successfully applied to develop an analytical method for estimation of ETS from food stuffs without interference of other complex ingredients. Graphical Abstract A fluorescent organic nanoprobe developed for the detection of erythrosine (ETS) food dye in aqueous medium based on fluorescence resonance energy transfer (FRET). The FRET process between donor (nanoparticles) and acceptor (ETS dye) arises due to oppositely charge attraction through hydrophobic interactions. The proposed method was successfully applied to quantitative determination of ETS dye in food stuff sample collected from local market.

Hadamard Transform Time-of-Flight Mass Spectrometry

DTIC Science & Technology

2010-01-05

methods such as MALDI(Tanaka, Waki et al. 1988), SELDI(Hutchens and Yip 1993), and j.lL2MS(Spencer, Hammond et al. 2008), the pulsed detection of...34Fluorescence Energy Transfer as a Spectroscopic Ruler." Annual Review of Biochemistry 47(1): 819-846. Tanaka, K., _H. Waki , et al. (1988). "Protein and

SEBAL-A: A remote sensing ET algorithm that accounts for advection with limited data. Part II: Test for transferability

USDA-ARS?s Scientific Manuscript database

Because the Surface Energy Balance Algorithm for Land (SEBAL) tends to underestimate ET under conditions of advection, the model was modified by incorporating an advection component as part of the energy usable for crop evapotranspiration (ET). The modification involved the estimation of advected en...

Role of rescue IVF-ET treatment in the management of high response in stimulated IUI cycles.

PubMed

Olufowobi, O; Sharif, K; Papaioannou, S; Mohamed, H; Neelakantan, D; Afnan, M

2005-02-01

Rescue in-vitro fertilisation and embryo transfer (IVF-ET) has been used in high response gonadotrophin intrauterine insemination (IUI) cycles to minimise the risks of ovarian hyperstimulation and multiple gestation. Such unplanned IVF treatment increases the cost of treatment. But can this added cost and the risks associated with IVF be justified? We present our experience with this treatment using clinical pregnancy and live birth rates as the primary outcomes. Between 1998 to 2001, 40 women undergoing IUI cycles who over responded (>3 follicles measuring >15 mm in diameter on the planned day of hCG administration) to gonadotrophin were offered the choice of conversion to IVF-ET or cancel the cycle. 17/40 declined rescue IVF/ET and had their cycles cancelled. 23/40 converted to IVF/ET and underwent transvaginal oocyte retrieval. 21/23 had embryo transferred. The clinical pregnancy and live birth rates were 52% and 48%, respectively. Rescue IVF-ET offers excellent clinical pregnancy and live birth rates in high responders. However, affordability can be an obstacle in the utilization of this treatment option.

Intramolecular Long-Distance Electron Transfer in Organic Molecules

NASA Astrophysics Data System (ADS)

Closs, Gerhard L.; Miller, John R.

1988-04-01

Intramolecular long-distance electron transfer (ET) has been actively studied in recent years in order to test existing theories in a quantitative way and to provide the necessary constants for predicting ET rates from simple structural parameters. Theoretical predictions of an ``inverted region,'' where increasing the driving force of the reaction will decrease its rate, have begun to be experimentally confirmed. A predicted nonlinear dependence of ET rates on the polarity of the solvent has also been confirmed. This work has implications for the design of efficient photochemical charge-separation devices. Other studies have been directed toward determining the distance dependence of ET reactions. Model studies on different series of compounds give similar distance dependences. When different stereochemical structures are compared, it becomes apparent that geometrical factors must be taken into account. Finally, the mechanism of coupling between donor and acceptor in weakly interacting systems has become of major importance. The theoretical and experimental evidence favors a model in which coupling is provided by the interaction with the orbitals of the intervening molecular fragments, although more experimental evidence is needed. Studies on intramolecular ET in organic model compounds have established that current theories give an adequate description of the process. The separation of electronic from nuclear coordinates is only a convenient approximation applied to many models, but in long-distance ET it works remarkably well. It is particularly gratifying to see Marcus' ideas finally confirmed after three decades of skepticism. By obtaining the numbers for quantitative correlations between rates and distances, these experiments have shown that saturated hydrocarbon fragments can ``conduct'' electrons over tens of angstroms. A dramatic demonstration of this fact has recently been obtained by tunneling electron microscopy on Langmuir-Blodgett films, showing in a pictorial fashion that electrons prefer to travel from cathode to anode through the fatty-acid chains (46).

Redox activity distinguishes solid-state electron transport from solution-based electron transfer in a natural and artificial protein: cytochrome C and hemin-doped human serum albumin.

PubMed

Amdursky, Nadav; Ferber, Doron; Pecht, Israel; Sheves, Mordechai; Cahen, David

2013-10-28

Integrating proteins in molecular electronic devices requires control over their solid-state electronic transport behavior. Unlike "traditional" electron transfer (ET) measurements of proteins that involve liquid environments and a redox cycle, no redox cofactor is needed for solid-state electron transport (ETp) across the protein. Here we show the fundamental difference between these two approaches by macroscopic area measurements, which allow measuring ETp temperature dependence down to cryogenic temperatures, via cytochrome C (Cyt C), an ET protein with a heme (Fe-porphyrin) prosthetic group as a redox centre. We compare the ETp to electrochemical ET measurements, and do so also for the protein without the Fe (with metal-free porphyrin) and without porphyrin. As removing the porphyrin irreversibly alters the protein's conformation, we repeat these measurements with human serum albumin (HSA), 'doped' (by non-covalent binding) with a single hemin equivalent, i.e., these natural and artificial proteins share a common prosthetic group. ETp via Cyt C and HSA-hemin are very similar in terms of current magnitude and temperature dependence, which suggests similar ETp mechanisms via these two systems, thermally activated hopping (with ~0.1 eV activation energy) >190 K and tunneling by superexchange <190 K. Also, ET rates to and from the Fe redox centres (Fe(2+) <=> Fe(3+) + e(-)), measured by electrochemistry of HSA-hemin are only 4 times lower than those for Cyt C. However, while removing the Fe redox centre from the porphyrin ring markedly affects the ET rate, it hardly changes the ETp currents through these proteins, while removing the macrocycle (from HSA, which retains its conformation) significantly reduces ETp efficiency. These results show that solid-state ETp across proteins does not require the presence of a redox cofactor, and that while for ET the Fe ion is the main electron mediator, for ETp the porphyrin ring has this function.

Single-particle studies of band alignment effects on electron transfer dynamics from semiconductor hetero-nanostructures to single-walled carbon nanotubes.

PubMed

Yuan, Chi-Tsu; Wang, Yong-Gang; Huang, Kuo-Yen; Chen, Ting-Yu; Yu, Pyng; Tang, Jau; Sitt, Amit; Banin, Uri; Millo, Oded

2012-01-24

We utilize single-molecule spectroscopy combined with time-correlated single-photon counting to probe the electron transfer (ET) rates from various types of semiconductor hetero-nanocrystals, having either type-I or type-II band alignment, to single-walled carbon nanotubes. A significantly larger ET rate was observed for type-II ZnSe/CdS dot-in-rod nanostructures as compared to type-I spherical CdSe/ZnS core/shell quantum dots and to CdSe/CdS dot-in-rod structures. Furthermore, such rapid ET dynamics can compete with both Auger and radiative recombination processes, with significance for effective photovoltaic operation. © 2011 American Chemical Society

Direct measurement of electron transfer distance decay constants of single redox proteins by electrochemical tunneling spectroscopy.

PubMed

Artés, Juan M; Díez-Pérez, Ismael; Sanz, Fausto; Gorostiza, Pau

2011-03-22

We present a method to measure directly and at the single-molecule level the distance decay constant that characterizes the rate of electron transfer (ET) in redox proteins. Using an electrochemical tunneling microscope under bipotentiostatic control, we obtained current−distance spectroscopic recordings of individual redox proteins confined within a nanometric tunneling gap at a well-defined molecular orientation. The tunneling current decays exponentially, and the corresponding decay constant (β) strongly supports a two-step tunneling ET mechanism. Statistical analysis of decay constant measurements reveals differences between the reduced and oxidized states that may be relevant to the control of ET rates in enzymes and biological electron transport chains.

Distant electric coupling between nitrate reduction and sulphide oxidation investigated by an improved nitrate microscale biosensor

NASA Astrophysics Data System (ADS)

Marzocchi, U.; Revsbech, N. P.; Nielsen, L. P.; Risgaard-Petersen, N.

2012-04-01

Bacteria are apparently able to transmit electrons to other bacteria (Summers et al. 2010) or to electrodes (Malvankar et al. 2011) by some kind of nanowires (Reguera et al. 2005, Gorbi et al. 2006). Lately it has been shown that such transfer may occur over distances of centimetres in sediments, thereby coupling sulphide oxidation in deeper layers with oxygen reduction near the surface (Nielsen 2011). The finding of these long-distance electrical connections originated from analysis of O2, H2S, and pH profiles measured with microsensors. Nitrate is thermodynamically almost as good an electron acceptor as O2, and we therefore set up an experiment to investigate whether long-distance electron transfer also happens with NO3-. Aquaria were filled with sulphidic marine sediment from Aarhus Bay that was previously used to show long-distance electron transfer to O2. The aquaria were equipped with a lid so that they could be completely filled without a gas phase. Anoxic seawater with 300 μM NO3- was supplied at a constant rate resulting in a steady state concentration in the aquatic phase of 250 μM NO3-. The reservoir with the nitrate-containing water was kept anoxic by bubbling it with a N2/CO2 mixture and was kept at an elevated temperature. The water was cooled on the way to the aquaria to keep the water in the aquaria undersaturated with gasses, so that bubble formation by denitrification in the sediment could be minimised. Profiles of NO3-, H2S, and pH were measured as a function of time (2 months) applying commercial sensors for H2S and pH and an improved microscale NO3- biosensor developed in our laboratory. The penetration of NO3- in the sediment was 4-5 mm after 2 months, whereas sulphide only could be detected below 8-9 mm depth. The electron acceptor and electron donor were thus separated by 4-5 mm, indicating long distance electron transfer. A pH maximum of about 8.6 pH units at the NO3- reduction zone similar to a pH maximum observed in the O2 reduction zone of electro-active sediments could be observed. This pH maximum was the strongest evidence for long-distance electron transfer in oxic sediments, but cannot be taken as proof in denitrifying sediments as conventional denitrification may also produce elevated pH. We are now searching for the NO3- reducing bacteria that may be active in long-distance electron transfer in our sediment. Gorby, Y. A., S. Yanina, et al. (2006). Electrically conductive bacterial nanowires produced by Shewanella oneidensis strain MR-1 and other microorganisms. Proceedings of the National Academy of Sciences of the United States of America 103(30): 11358-11363. Malvankar, N. S., M. Vargas, et al. (2011). Tunable metallic-like conductivity in microbial nanowire networks. Nature Nanotechnology 6(9): 573-579. Nielsen, L. P., N. Risgaard-Petersen, et al. (2010). Electric currents couple spatially separated biogeochemical processes in marine sediment. Nature 463(7284): 1071-1074. Reguera, G., K. D. McCarthy, et al. (2005). Extracellular electron transfer via microbial nanowires. Nature 435(7045): 1098-1101. Summers, Z. M., H. E. Fogarty, et al. (2010). Direct Exchange of Electrons Within Aggregates of an Evolved Syntrophic Coculture of Anaerobic Bacteria. Science 330(6009): 1413-1415.

Redox Modulation of Flavin and Tyrosine Determines Photoinduced Proton-coupled Electron Transfer and Photoactivation of BLUF Photoreceptors

PubMed Central

Mathes, Tilo; van Stokkum, Ivo H. M.; Stierl, Manuela; Kennis, John T. M.

2012-01-01

Photoinduced electron transfer in biological systems, especially in proteins, is a highly intriguing matter. Its mechanistic details cannot be addressed by structural data obtained by crystallography alone because this provides only static information on a given redox system. In combination with transient spectroscopy and site-directed manipulation of the protein, however, a dynamic molecular picture of the ET process may be obtained. In BLUF (blue light sensors using FAD) photoreceptors, proton-coupled electron transfer between a tyrosine and the flavin cofactor is the key reaction to switch from a dark-adapted to a light-adapted state, which corresponds to the biological signaling state. Particularly puzzling is the fact that, although the various naturally occurring BLUF domains show little difference in the amino acid composition of the flavin binding pocket, the reaction rates of the forward reaction differ quite largely from a few ps up to several hundred ps. In this study, we modified the redox potential of the flavin/tyrosine redox pair by site-directed mutagenesis close to the flavin C2 carbonyl and fluorination of the tyrosine, respectively. We provide information on how changes in the redox potential of either reaction partner significantly influence photoinduced proton-coupled electron transfer. The altered redox potentials allowed us furthermore to experimentally describe an excited state charge transfer intermediately prior to electron transfer in the BLUF photocycle. Additionally, we show that the electron transfer rate directly correlates with the quantum yield of signaling state formation. PMID:22833672

Interplay between structure, stoichiometry, and electron transfer dynamics in SILAR-based quantum dot-sensitized oxides.

PubMed

Wang, Hai; Barceló, Irene; Lana-Villarreal, Teresa; Gómez, Roberto; Bonn, Mischa; Cánovas, Enrique

2014-10-08

We quantify the rate and efficiency of picosecond electron transfer (ET) from PbS nanocrystals, grown by successive ionic layer adsorption and reaction (SILAR), into a mesoporous SnO2 support. Successive SILAR deposition steps allow for stoichiometry- and size-variation of the QDs, characterized using transmission electron microscopy. Whereas for sulfur-rich (p-type) QD surfaces substantial electron trapping at the QD surface occurs, for lead-rich (n-type) QD surfaces, the QD trapping channel is suppressed and the ET efficiency is boosted. The ET efficiency increase achieved by lead-rich QD surfaces is found to be QD-size dependent, increasing linearly with QD surface area. On the other hand, ET rates are found to be independent of both QD size and surface stoichiometry, suggesting that the donor-acceptor energetics (constituting the driving force for ET) are fixed due to Fermi level pinning at the QD/oxide interface. Implications of our results for QD-sensitized solar cell design are discussed.

Surface Experiments on a Jupiter Trojan Asteroid in the Solar Powered Sail Mission

NASA Astrophysics Data System (ADS)

Okada, Tatsuaki

2016-04-01

Introduction: A new mission to a Jupiter Trojan asteroid is under study us-ing a solar-powered sail (SPS), and a science lander is being investigated in the joint study between Japan and Europe [1]. We present here the key sci-entific objectives and the strawman payloads of science experiments on the asteroid. Science Objectives: Jupiter Trojan asteroids are located around the Sun-Jupiter Lagrange points (L4 or L5) and most of them are classified as D- or P-type in asteroid taxonomy, but their origin still remains unknown. A classi-cal (static) model of solar system evolution indicates that they were formed around the Jupiter region and survived until now as the outer end members of asteroids. A new (dynamical) model such as Nice model suggests that they were formed at the far end of the solar system and transferred inward due to dynamical migration of giant planets [2]. Therefore physical, miner-alogical, and isotopic studies of surface materials and volatile compounds could solve their origin, and then the solar system formation [3]. Strawman Payloads: The SPS orbiter will be able to carry a 100 kg class lander with 20 kg mission payloads. Just after landing of the lander, geolog-ical, mineralogical, and geophysical observations will be performed to char-acterize the site using a panoramic optical camera, an infrared hyperspectral imager, a magnetometer, and a thermal radiometer. The surface and subsur-face materials of the asteroid will be collected into a carousel by the bullet-type and the pneumatic drill type samplers, respectively. Samples in the carousel will be investigated by a visible and an infrared microscope, and transferred for performing high resolution mass spectrometry (HRMS). Mass resolution m/dm > 30,000 is expected to investigate isotopic ratios of D/H, 15N/14N, and 18O/16O, as well as molecules from organic matters. A set of strawman payloads are tentatively determined during the lander system study [4]. The constraints to select the strawman payloads have the total mass of 20 kg, and the total consumption energy of 600 WHr. In the SPS mission, the sample-return is also studied as an option, and the lander should bring the mechanisms for sample collection and sample transfer to the mother ship. [1] Mori O. et al. (2015) 11th Low-Cost Planetary Missions Conf., S3-10. [2] Morbidelli A. et al. (2005) Nature 435, 462-466. [3] Yano H. et al., (2014) CO-SPAR 2014, B0.4-2-14. [4] Mori O. et al., Lunar Planet. Sci. Conf., 47, #1822.

Tetronic Star Block Copolymer Micelles: Photophysical Characterisation of Microenvironments and Applicability for Tuning Electron Transfer Reactions.

PubMed

Samanta, Papu; Rane, Sonal; Bahadur, Pratap; Dutta Choudhury, Sharmistha; Pal, Haridas

2018-05-10

Detailed photophysical investigations have been carried out using a probe dye, Coumarin-153 (C153), to understand the microenvironments of micelles formed by the newly introduced Tetronic star block copolymers, T1304 and T1307, having the same polypropylene oxide (PPO) block size but different polyethylene oxide (PEO) block sizes. Ground state absorption, steady-state fluorescence and time-resolved fluorescence measurements have been used to estimate the micropolarity, microviscosity and solvation dynamics within the two micelles. To the best of our knowledge this is the first report on these important physicochemical parameters for this new class of the star block copolymer micelles. Our results indicate that T1307 micelle offers a relatively more polar and less viscous microenvironment in the corona region, compared to T1304. The effect of the two micellar systems has subsequently been investigated on the bimolecular photoinduced electron transfer (ET) reactions between coumarin dyes (electron acceptors) and aromatic amines (electron donors). On correlating the energetics and kinetics of the ET reactions, clear Marcus Inversion (MI) behavior is observed in both the micellar media. Interestingly, the ET rates for all the donor-acceptor pairs are much higher in T1307 than in T1304, and the onset of MI also appears at a relatively higher exergenocity (-Δ G 0 ) in the former micelle (~0.45 eV for T1307) than the latter (~0.37 eV for T1304). Effect of added NaCl salt studied selectively in T1307 micelle, shows that the ET rate decreases significantly along with a shift in the onset of MI toward lower exergenocity region, so that in the presence of 2 M NaCl the system becomes quite comparable to T1304. Based on the observed results, it is realized that the micropolarity and hence the dynamics of ET process can be tuned very effectively either by changing the constitution of the star block copolymer or by using a suitable additive as a modifier of the micellar microenvironment.

Low serum progesterone on the day of embryo transfer is associated with a diminished ongoing pregnancy rate in oocyte donation cycles after artificial endometrial preparation: a prospective study.

PubMed

Labarta, E; Mariani, G; Holtmann, N; Celada, P; Remohí, J; Bosch, E

2017-12-01

Is there a relationship between serum progesterone (P) and endometrial volume on the day of embryo transfer (ET) with ongoing pregnancy rate (OPR) in artificial endometrium preparation cycles? Patients with serum P < 9.2 ng/ml on the day of ET had a significantly lower OPR but endometrial volume was not related with OPR. A window of optimal serum P levels during the embryo implantation period has been described in artificial endometrium preparation cycles. A very low endometrial volume is related to poor reproductive outcome. Prospective cohort study with 244 patients who underwent ET in an oocyte donation cycle after an artificial endometrial preparation cycle with estradiol valerate and vaginal micronized progesterone (400 mg/12 h). The study period went from 22 February 2016 to 25 October 2016 (8 months). Sample size was calculated to detect a 20% difference in OPR (35-55%) between two groups according to serum P levels in a two-sided test (80% statistical power, 95% confidence interval (CI)). Patients undergoing their first/second oocyte donation cycle, aged <50, BMI < 30 kg/m2, triple layer endometrium >6.5 mm and 1-2 good quality transferred blastocysts. A private infertility centre. Serum P determination and 3D ultrasound of uterine cavity were performed on the day of ET. Endometrial volume measurements were taken using a virtual organ computer-aided analysis (VOCAL™) system. The primary endpoint was OPR beyond pregnancy week 12. About 211 of the 244 recruited patients fulfilled all the inclusion/exclusion criteria. Mean serum P on the day of embryo transfer was 12.7 ± 5.4 ng/ml (Centiles 25, 9.2; 50, 11.8; 75,15.8). OPRs according to serum P quartiles were: Q1: 32.7%; Q2: 49.1%; Q3: 58.5%; Q4: 50.9%. The OPR of Q1 was significantly lower than Q2-Q4: 32.7% versus 52.8%; P = 0.016; RR (95% CI): 0.62 (0.41-0.94). The mean endometrial volume was 3.4 ± 1.9 ml. Serum P on the day of ET did not correlate with endometrial volume. A logistic regression analysis, adjusted for all the potential confounders, showed that OPR significantly lowered between women with serum P < 9.2 ng/ml versus ≥9.2 ng/ml (OR: 0.297; 95%CI: 0.113-0.779); P = 0.013. The ROC curve showed a significant predictive value of serum P levels on the day of ET for OPR, with an AUC (95%CI) = 0.59 (0.51-0.67). Only the women with normal uterine cavity, appropriate endometrial thickness and good quality blastocysts transfer were included. Extrapolation to an unselected population or to other routes and/or doses of administering P needs to be validated. The role of endometrial volume could not be fully defined as very few patients presented a very low volume. The present study suggests a minimum threshold of serum P values on the day of ET that needs to be reached in artificial endometrial preparation cycles to optimize outcome. No upper threshold could be defined. None. NCT02696694. © The Author 2017. Published by Oxford University Press on behalf of the European Society of Human Reproduction and Embryology. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Using RADMC-3D to model the radiative transfer of spectral lines in protoplanetary disks and envelopes

NASA Astrophysics Data System (ADS)

DeVries, John; Terebey, Susan

2018-06-01

Protoplanetary disks are the birthplaces of planets in our universe. Observations of these disks with radio telescopes like the Atacama Large Millimeter Array (ALMA) offer great insight into the star and planet formation process. Comparing theories of formation with observations requires tracing the energy transfer via electromagnetic radiation, known as radiative transfer. To determine the temperature distribution of circumstellar material, a Monte Carlo code (Whitney et al. [1]) was used to to perform the radiative transfer through dust. The goal of this research is to utilize RADMC-3D [2] to handle the spectral line radiative transfer computations. An existing model of a rotating ring was expanded to include emission from the C18O isotopologue of carbon monoxide using data from the Leiden Atomic and Molecular Database (LAMDA). This feature of our model compliments ALMA's ability to measure C18O line emission, a proxy for disk rotation. In addition to modeling gas in the protoplanetary disk, dust also plays an important role. The generic description of absorption and scattering for dust provided by RADMC-3D was changed in favor of a more physically-realistic description with OH5 grains. This description is more appropriate in high-density regions of the envelope around a protostar. Further improvements, such as consideration for the finite resolution of observations, have been implemented. The task at present is to compare our model with observations of protoplanetary systems like L1527. Some results of these comparisons will be presented.[1] Whitney et al. 2013, ApJS, 207:30[2] RADMC-3D: http://www.ita.uni-heidelberg.de/~dullemond/software/radmc-3d/

Mechanistic Probes of Zeolitic Imidazolate Framework for Photocatalytic Application

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pattengale, Brian; Yang, Sizhuo; Lee, Sungsik

2017-11-07

In this work, we report a zeolitic imidazolate framework (ZIF-67) with remarkable activity for hydrogen evolution reaction (HER) of 40,500 μmol H2/g MOF, which is, to the best of our knowledge, the highest activity achieved by any MOF system. This result necessitated assessment of its atomic-scale mechanistic function for HER using advanced spectroscopy techniques including time-resolved optical (OTA) and in situ X-ray absorption (XAS) spectroscopy. Through the correlation of OTA results with catalytic performance, we demonstrated that the electron transfer (ET) rather than energy transfer (ENT) pathway between photosensitizer and ZIF-67 is the key factor that controls the efficiency ofmore » HER activity, as HER activity that undergoes ET pathway is 3 orders of magnitude higher than that of ENT process. Using in situ XAS, we unraveled the spectral features for key intermediate species which are likely responsible for the rate determining process under turn over conditions. This work represents an original approach to study porous ZIF materials at the molecular level using advanced spectroscopic techniques, providing unprecedented insights into the photoactive nature of ZIF frameworks.« less

Application of a New Ensemble Conserving Quantum Dynamics Simulation Algorithm to Liquid para-Hydrogen and ortho-Deuterium

DOE PAGES

Smith, Kyle K.G.; Poulsen, Jens Aage; Nyman, Gunnar; ...

2015-06-30

Here, we apply the Feynman-Kleinert Quasi-Classical Wigner (FK-QCW) method developed in our previous work [Smith et al., J. Chem. Phys. 142, 244112 (2015)] for the determination of the dynamic structure factor of liquid para-hydrogen and ortho-deuterium at state points of (T = 20.0 K, n = 21.24 nm -3) and (T = 23.0 K, n = 24.61 nm -3), respectively. When applied to this challenging system, it is shown that this new FK-QCW method consistently reproduces the experimental dynamic structure factor reported by Smith et al. [J. Chem. Phys. 140, 034501 (2014)] for all momentum transfers considered. Moreover, this showsmore » that FK-QCW provides a substantial improvement over the Feynman-Kleinert linearized path-integral method, in which purely classical dynamics are used. Furthermore, for small momentum transfers, it is shown that FK-QCW provides nearly the same results as ring-polymer molecular dynamics (RPMD), thus suggesting that FK-QCW provides a potentially more appealing algorithm than RPMD since it is not formally limited to correlation functions involving linear operators.« less

Influence of different environments on the excited-state proton transfer and dual fluorescence of fisetin

NASA Astrophysics Data System (ADS)

Guharay, Jayanti; Dennison, S. Moses; Sengupta, Pradeep K.

1999-05-01

The influence of different protic and aprotic solvent environments on the excited-state intramolecular proton transfer (ESIPT) leading to a dual fluorescence behaviour of a biologically important, naturally occurring, polyhydroxyflavone, fisetin (3,3',4',7-tetrahydroxyflavone), has been investigated. The normal fluorescence band, in particular, is extremely sensitive to solvent polarity with νmax shifting from 24 510 cm -1 in dioxane ( ET(30)=36.0) to 20 790 cm -1 in methanol ( ET(30)=55.5). This is rationalized in terms of solvent dipolar relaxation process, which also accounts for the red edge excitation shifts (REES) observed in viscous environments such as glycerol at low temperatures. Significant solvent dependence of the tautomer fluorescence properties ( νmax, yield and decay kinetics) reveals the influence of external hydrogen bonding perturbation on the internal hydrogen bond of the molecule. These excited-state relaxation phenomena and their relevant parameters have been used to probe the microenvironment of fisetin in a membrane mimetic system, namely AOT reverse micelles in n-heptane at different water/surfactant molar ratio ( w0).

Application of a New Ensemble Conserving Quantum Dynamics Simulation Algorithm to Liquid para-Hydrogen and ortho-Deuterium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Kyle K.G.; Poulsen, Jens Aage; Nyman, Gunnar

Here, we apply the Feynman-Kleinert Quasi-Classical Wigner (FK-QCW) method developed in our previous work [Smith et al., J. Chem. Phys. 142, 244112 (2015)] for the determination of the dynamic structure factor of liquid para-hydrogen and ortho-deuterium at state points of (T = 20.0 K, n = 21.24 nm -3) and (T = 23.0 K, n = 24.61 nm -3), respectively. When applied to this challenging system, it is shown that this new FK-QCW method consistently reproduces the experimental dynamic structure factor reported by Smith et al. [J. Chem. Phys. 140, 034501 (2014)] for all momentum transfers considered. Moreover, this showsmore » that FK-QCW provides a substantial improvement over the Feynman-Kleinert linearized path-integral method, in which purely classical dynamics are used. Furthermore, for small momentum transfers, it is shown that FK-QCW provides nearly the same results as ring-polymer molecular dynamics (RPMD), thus suggesting that FK-QCW provides a potentially more appealing algorithm than RPMD since it is not formally limited to correlation functions involving linear operators.« less

Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Kyle K. G., E-mail: kylesmith@utexas.edu; Poulsen, Jens Aage, E-mail: jens72@chem.gu.se; Nyman, Gunnar, E-mail: nyman@chem.gu.se

We apply the Feynman-Kleinert Quasi-Classical Wigner (FK-QCW) method developed in our previous work [Smith et al., J. Chem. Phys. 142, 244112 (2015)] for the determination of the dynamic structure factor of liquid para-hydrogen and ortho-deuterium at state points of (T = 20.0 K, n = 21.24 nm{sup −3}) and (T = 23.0 K, n = 24.61 nm{sup −3}), respectively. When applied to this challenging system, it is shown that this new FK-QCW method consistently reproduces the experimental dynamic structure factor reported by Smith et al. [J. Chem. Phys. 140, 034501 (2014)] for all momentum transfers considered. This shows that FK-QCWmore » provides a substantial improvement over the Feynman-Kleinert linearized path-integral method, in which purely classical dynamics are used. Furthermore, for small momentum transfers, it is shown that FK-QCW provides nearly the same results as ring-polymer molecular dynamics (RPMD), thus suggesting that FK-QCW provides a potentially more appealing algorithm than RPMD since it is not formally limited to correlation functions involving linear operators.« less

Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium.

PubMed

Smith, Kyle K G; Poulsen, Jens Aage; Nyman, Gunnar; Cunsolo, Alessandro; Rossky, Peter J

2015-06-28

We apply the Feynman-Kleinert Quasi-Classical Wigner (FK-QCW) method developed in our previous work [Smith et al., J. Chem. Phys. 142, 244112 (2015)] for the determination of the dynamic structure factor of liquid para-hydrogen and ortho-deuterium at state points of (T = 20.0 K, n = 21.24 nm(-3)) and (T = 23.0 K, n = 24.61 nm(-3)), respectively. When applied to this challenging system, it is shown that this new FK-QCW method consistently reproduces the experimental dynamic structure factor reported by Smith et al. [J. Chem. Phys. 140, 034501 (2014)] for all momentum transfers considered. This shows that FK-QCW provides a substantial improvement over the Feynman-Kleinert linearized path-integral method, in which purely classical dynamics are used. Furthermore, for small momentum transfers, it is shown that FK-QCW provides nearly the same results as ring-polymer molecular dynamics (RPMD), thus suggesting that FK-QCW provides a potentially more appealing algorithm than RPMD since it is not formally limited to correlation functions involving linear operators.

50 CFR 12.25 - Transfers in settlement of civil penalty claims.

Code of Federal Regulations, 2010 CFR

2010-10-01

... may be liable for civil penalty under the Endangered Species Act, 16 U.S.C. 1531 et seq.; Lacey Act, 18 U.S.C. 43; Lacey Act Amendments of 1981, 16 U.S.C. 3371 et seq.; Eagle Protection Act, 16 U.S.C. 668 et seq.; or Marine Mammal Protection Act, 16 U.S.C. 1361 et seq., may be given an opportunity to...

50 CFR 12.25 - Transfers in settlement of civil penalty claims.

Code of Federal Regulations, 2011 CFR

2011-10-01

... may be liable for civil penalty under the Endangered Species Act, 16 U.S.C. 1531 et seq.; Lacey Act, 18 U.S.C. 43; Lacey Act Amendments of 1981, 16 U.S.C. 3371 et seq.; Eagle Protection Act, 16 U.S.C. 668 et seq.; or Marine Mammal Protection Act, 16 U.S.C. 1361 et seq., may be given an opportunity to...

50 CFR 12.25 - Transfers in settlement of civil penalty claims.

Code of Federal Regulations, 2014 CFR

2014-10-01

... may be liable for civil penalty under the Endangered Species Act, 16 U.S.C. 1531 et seq.; Lacey Act, 18 U.S.C. 43; Lacey Act Amendments of 1981, 16 U.S.C. 3371 et seq.; Eagle Protection Act, 16 U.S.C. 668 et seq.; or Marine Mammal Protection Act, 16 U.S.C. 1361 et seq., may be given an opportunity to...

50 CFR 12.25 - Transfers in settlement of civil penalty claims.

Code of Federal Regulations, 2012 CFR

2012-10-01

... may be liable for civil penalty under the Endangered Species Act, 16 U.S.C. 1531 et seq.; Lacey Act, 18 U.S.C. 43; Lacey Act Amendments of 1981, 16 U.S.C. 3371 et seq.; Eagle Protection Act, 16 U.S.C. 668 et seq.; or Marine Mammal Protection Act, 16 U.S.C. 1361 et seq., may be given an opportunity to...

50 CFR 12.25 - Transfers in settlement of civil penalty claims.

Code of Federal Regulations, 2013 CFR

2013-10-01

... may be liable for civil penalty under the Endangered Species Act, 16 U.S.C. 1531 et seq.; Lacey Act, 18 U.S.C. 43; Lacey Act Amendments of 1981, 16 U.S.C. 3371 et seq.; Eagle Protection Act, 16 U.S.C. 668 et seq.; or Marine Mammal Protection Act, 16 U.S.C. 1361 et seq., may be given an opportunity to...

Transfer of Training.

ERIC Educational Resources Information Center

1996

This document consists of three papers presented at a symposium on transfer of training moderated by Gene Roth at the 1996 conference of the Academy of Human Resource Development (AHRD). "Validation of a Transfer Climate Instrument" (Reid A. Bates et al.) reports a study that attempted to validate Rouiller and Goldstein's (1993) eight-factor…

Resonant transfer excitation in collisions of F6+ and Mg9+ with H2

NASA Astrophysics Data System (ADS)

Bernstein, E. M.; Kamal, A.; Zaharakis, K. E.; Clark, M. W.; Tanis, J. A.; Ferguson, S. M.; Badnell, N. R.

1991-10-01

Experimental and theoretical investigations of resonant transfer excitation (RTE) for F6++H2 and Mg9++H2 collisions have been made. For both collision systems good agreement is obtained between the measured cross sections for K-shell x-ray emission coincident with electron-capture and theoretical RTE calculations. For F6+ the present calculations are about 10% lower than previous results of Bhalla and Karim [Phys. Rev. A 39, 6060 (1989); 41, 4097(E) (1990]; the measured cross sections are a factor of 2.3 larger than earlier measurements of Schulz et al. [Phys. Rev. A 38, 5454 (1988)]. The previous disagreement between experiment and theory for F6+ is removed.

Increased risk of preterm birth in singleton pregnancies after blastocyst versus Day 3 embryo transfer: Canadian ART Register (CARTR) analysis.

PubMed

Dar, S; Librach, C L; Gunby, J; Bissonnette, F; Cowan, L

2013-04-01

Are the fetal outcomes of singleton pregnancies that result from cleavage stage embryo transfer (ET) different from the outcomes from Day 5/6 blastocyst stage ET? There was a significantly higher risk of preterm birth (<37 weeks) in singletons after extended embryo culture (Day 5/6) compared with cleavage stage (Day 3) transfer. Two recent studies, from Sweden and the USA, reported an increased risk of preterm birth in singleton pregnancies after Day 5/6 ET compared with Day 3 ET. The US study also showed increased early preterm births and the Swedish study showed increased fetal malformations in this group. A retrospective cohort study was performed. Data were collected from the Canadian ART Register database for all singleton births after fresh IVF/ICSI ET cycles (2001-2009). A total of 12 712 singleton births were included. Of these, 9506 resulted from a Day 3 ET and 3206 resulted from a blastocyst (Day 5/6) ET. Preterm birth rate <37 weeks (unadjusted by potential confounding factors) was higher with Day 5/6 versus Day 3 transfers (17.2 versus 14.1%, P < 0.001). Using logistic regression analysis to adjust for confounding factors, preterm birth rate <37 weeks was the only outcome significantly increased after Day 5/6 compared with Day 3 transfer (odds ratio 1.32, 95% confidence interval 1.17-1.49). The following confounding factors were adjusted for: year of treatment (2001-2009), maternal age (continuous), parity (0 versus ≥1 birth), diagnosis category, number of oocytes retrieved [≤20 versus >20 (high responder group)], insemination method (IVF versus ICSI), number of embryos transferred (1, 2 or ≥3) and the presence of a vanishing twin (≥1 fetal heart on the initial ultrasonographic examination). Post-natal follow-up studies will be required to determine if this difference we observed translates into adverse long-term effects on these offspring. The rate of early preterm births (<32 weeks) was higher in Day 5/6 versus Day 3, but the low number of cases in this category did not have the power to show a difference (3.0 versus 2.7%, P = 0.34). We found a significantly higher risk of preterm birth (<37 weeks) in singletons after extended embryo culture (Day 5/6) compared with cleavage stage (Day 3) transfer, even when adjusting for confounding factors. Our findings are in agreement with the previous two studies; however, we did not show a difference in the very preterm deliveries (unlike the US study) or in fetal malformations (as in the Swedish study). We hypothesize that there may be a deleterious effect of prolonged in vitro embryo culture on subsequent placentation. Longer term follow-up studies will be required to determine if prolonged in vitro culture to the blastocyst stage has an adverse effect on the long-term health of offspring when compared with shorter cleavage stage culture. None.

Community Radiative Transfer Model for Inter-Satellites Calibration and Verification

NASA Astrophysics Data System (ADS)

Liu, Q.; Nalli, N. R.; Ignatov, A.; Garrett, K.; Chen, Y.; Weng, F.; Boukabara, S. A.; van Delst, P. F.; Groff, D. N.; Collard, A.; Joseph, E.; Morris, V. R.; Minnett, P. J.

2014-12-01

Developed at the Joint Center for Satellite Data Assimilation, the Community Radiative Transfer Model (CRTM) [1], operationally supports satellite radiance assimilation for weather forecasting. The CRTM also supports JPSS/NPP and GOES-R missions [2] for instrument calibration, validation, monitoring long-term trending, and satellite retrieved products [3]. The CRTM is used daily at the NOAA NCEP to quantify the biases and standard deviations between radiance simulations and satellite radiance measurements in a time series and angular dependency. The purposes of monitoring the data assimilation system are to ensure the proper performance of the assimilation system and to diagnose problems with the system for future improvements. The CRTM is a very useful tool for cross-sensor verifications. Using the double difference method, it can remove the biases caused by slight differences in spectral response and geometric angles between measurements of the two instruments. The CRTM is particularly useful to reduce the difference between instruments for climate studies [4]. In this study, we will carry out the assessment of the Suomi National Polar-orbiting Partnership (SNPP) [5] Cross-track Infrared Sounder (CrIS) data [6], Advanced Technology Microwave Sounder (ATMS) data, and data for Visible Infrared Imaging Radiometer Suite (VIIRS) [7][8] thermal emissive bands. We use dedicated radiosondes and surface data acquired from NOAA Aerosols and Ocean Science Expeditions (AEROSE) [9]. The high quality radiosondes were launched when Suomi NPP flew over NOAA Ship Ronald H. Brown situated in the tropical Atlantic Ocean. The atmospheric data include profiles of temperature, water vapor, and ozone, as well as total aerosol optical depths. The surface data includes air temperature and humidity at 2 meters, skin temperature (Marine Atmospheric Emitted Radiance Interferometer, M-AERI [10]), surface temperature, and surface wind vector. [1] Liu, Q., and F. Weng, 2006: JAS [2] Liu, Q., and S. Boukabara, 2013: RSE [3] Boukabara et al., 2011: TGARS [4] Wang, LK, Zou C-Z. 2013: JGR [5] Weng et al, 2012: JGR [6] Han, Y., et al., 2013: JGR [7] Caoet al, 2013: GR [8] Liang, X, A. Ignatov, 2013: JGR [9] Nalliet al 2011: BAMS [10] Minnett et al, 2001: JAOT

Correlation of Site of Embryo Transfer with IVF Outcome: Analysis of 743 Cycles from a Single Center

PubMed Central

Singh, Neeta; Lata, Kusum; Malhotra, Neena; Vanamail, P.

2017-01-01

Objective: To investigate the influence of site of embryo transfer (ET) on reproductive outcome. Materials and Methods: A retrospective analysis of 743 ultrasound-guided ET in fresh in vitro fertilization (IVF) cycles from a single center over a period of 4 years was conducted. The distance between the fundal endometrial surface and the air bubble was measured, and accordingly, patients were divided into four groups (≤10 mm; >10 and ≤15 mm; >15 and 20 mm; >20 and <25 mm). Setting: Tertiary Assisted Reproductive Technology (ART) center. Patient(s): All patients enrolled in the IVF program undergoing ET. Intervention(s): Controlled ovarian hyperstimulation (OS), IVF, and ET. Main Outcome Measure(s): Cleavage rate and clinical pregnancy rate. Result(s): Clinical pregnancy rate was significantly more in groups 2 and 3 compared to the other groups. Logistic regression analysis showed that one unit increase in embryos transfer will enhance the pregnancy outcome about 3.7 (adjusted odds ratio) times with 95% confidence limits 2.6 to 5.4. Similarly, pregnancy outcome will be 3.1 (95% confidence limits: 1.5–6.4) times higher for distance group >15 and <20 mm compared to less than 10-mm distance group. Ectopic pregnancy rates were similar in all the four groups. Conclusion: The present study demonstrates that site of ET has significant difference on reproductive outcome. PMID:28904498

Amide Neighbouring-Group Effects in Peptides: Phenylalanine as Relay Amino Acid in Long-Distance Electron Transfer.

PubMed

Nathanael, Joses G; Gamon, Luke F; Cordes, Meike; Rablen, Paul R; Bally, Thomas; Fromm, Katharina M; Giese, Bernd; Wille, Uta

2018-05-04

In nature, proteins serve as media for long-distance electron transfer (ET) to carry out redox reactions in distant compartments. This ET occurs either by a single-step superexchange or through a multi-step charge hopping process, which uses side chains of amino acids as stepping stones. In this study we demonstrate that Phe can act as a relay amino acid for long-distance electron hole transfer through peptides. The considerably increased susceptibility of the aromatic ring to oxidation is caused by the lone pairs of neighbouring amide carbonyl groups, which stabilise the Phe radical cation. This neighbouring-amide-group effect helps improve understanding of the mechanism of extracellular electron transfer through conductive protein filaments (pili) of anaerobic bacteria during mineral respiration. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical investigation of the electron transfer dynamics and photodegradation pathways in a hydrogen-evolving ruthenium-palladium photocatalyst.

PubMed

Staniszewska, Magdalena; Kupfer, Stephan; Guthmuller, Julien

2018-05-16

Time-dependent density functional theory calculations combined with the Marcus theory of electron transfer (ET) were applied on the molecular photocatalyst [(tbbpy)2Ru(tpphz)PdCl2]2+ in order to elucidate the light-induced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational results show that after the initial excitation, metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are energetically accessible, but that an ET toward the catalytic center (PdCl2) from these states is a slow process, with estimated time constants above 1 ns. Instead, the calculations predict that low-lying Pd-centered states are efficiently populated - associated to an energy transfer toward the catalytic center. Thus, it is postulated that these states lead to the dissociation of a Cl- and are consequently responsible for the experimentally observed degradation of the catalytic center. Following dissociation, it is shown that the ET rates from the MLCT states to the charge separated states are significantly increased (i.e. 10^5-10^6 times larger). This demonstrates that alteration of the catalytic center generates efficient charge separation. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fourier-domain study of drift turbulence driven sheared flow in a laboratory plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, M.; Tynan, G. R.; Holland, C.

2010-03-15

Frequency-resolved nonlinear internal and kinetic energy transfer rates have been measured in the Controlled Shear Decorrelation Experiment (CSDX) linear plasma device using a recently developed technique [Xu et al., Phys. Plasmas 16, 042312 (2009)]. The results clearly show a net kinetic energy transfer into the zonal flow frequency region, consistent with previous time-domain observations of turbulence-driven shear flows [Tynan et al., Plasma Phys. Controlled Fusion 48, S51 (2006)]. The experimentally measured dispersion relation has been used to map the frequency-resolved energy transfer rates into the wave number domain, which shows that the shear flow drive comes from midrange (k{sub t}hetarho{submore » S}>0.3) drift fluctuations, and the strongest flow drive comes from k{sub t}hetarho{sub S}approx =1 fluctuations. Linear growth rates have been inferred from a linearized Hasegawa-Wakatani model [Hasegawa et al., Phys. Fluids 22, 2122 (1979)], which indicates that the m=0 mode is linearly stable and the m=1-10 modes (corresponding to k{sub t}hetarho{sub S}>0.3) are linearly unstable for the n=1 and n=2 radial eigenmodes. This is consistent with our energy transfer measurements.« less

Role of oxidative metabolites of cocaine in toxicity and addiction: oxidative stress and electron transfer.

PubMed

Kovacic, Peter

2005-01-01

Cocaine is one of the principal drugs of abuse. Although impressive advances have been made, unanswered questions remain concerning mechanism of toxicity and addiction. Discussion of action mode usually centers on receptor binding and enzyme inhibition, with limited attention to events at the molecular level. This review provides extensive evidence in support of the hypothesis that oxidative metabolites play important roles comprising oxidative stress (OS), reactive oxygen species (ROS), and electron transfer (ET). The metabolites include norcocaine and norcocaine derivatives: nitroxide radical, N-hydroxy, nitrosonium, plus cocaine iminium and formaldehyde. Observed formation of ROS is rationalized by redox cycling involving several possible ET agents. Three potential ones are present in the form of oxidative metabolites, namely, nitroxide, nitrosonium, and iminium. Most attention has been devoted to the nitroxide-hydroxylamine couple which has been designated by various investigators as the principal source of ROS. The proximate ester substituent is deemed important for intramolecular stabilization of reactive intermediates. Reduction potential of nitroxide is in accord with plausibility of ET in the biological milieu. Toxicity by cocaine, with evidence for participation of OS, is demonstrated for many body components, including liver, central nervous system, cardiovascular system, reproductive system, kidney, mitochondria, urine, and immune system. Other adverse effects associated with ROS comprise teratogenesis and apoptosis. Examples of ROS generated are lipid peroxides and hydroxyl radical. Often observed were depletion of antioxidant defenses, and protection by added antioxidants, such as, thiol, salicylate, and deferoxamine. Considerable evidence supports the contention that oxidative ET metabolites of cocaine are responsible for much of the observed OS. Quite significantly, the pro-oxidant, toxic effects, including generation of superoxide and lipid peroxyl radicals, plus depletion of glutathione, elicited by nitroxide or the hydroxylamine derivative, were greater than for the parent drug. The formaldehyde metabolite also appears to play a role. Mechanistic similarity to the action of neurotoxin 3,3'-iminodipropionitrile is pointed out. A number of literature strategies for treatment of addiction are addressed. However, no effective interventions are currently available. An hypothesis for addiction is offered based on ET and ROS at low concentrations. Radicals may aid in cell signaling entailing redox processes which influence ion transport, neuromodulation, and transcription. Ideas are suggested for future work dealing with health promotion. These include use of AOs, both dietary and supplemental, trapping of the norcocaine metabolite by non-toxic complexing agents, and use of nitrones for capturing harmful radical species.

A review of astrophysics experiments on intense lasers

NASA Astrophysics Data System (ADS)

Remington, B. A.

1999-11-01

Modern, high power laser facilities open new possibilities for simulating astrophysical systems in the laboratory.(S.J. Rose, Laser & Part. Beams 9, 869 (1991); B.H. Ripin et al., Laser & Part. Beams 8, 183 (1990); B.A. Remington et al., Science 284, 1488 (1999); H. Takabe et al., Plasma Phys. Contr. Fusion 41, A75 (1999); R.P. Drake, J. Geophys. Res. 104, 14505 (1999).) Scaled investigations of the hydrodynamics.(J. Kane et al., Phys. Plasmas 6, 2065 (1999); R.P. Drake et al., Ap. J. 500, L157 (1998); D. Ryutov et al., Ap. J. 518, 821 (1999).) and radiative transfer.(J. Wark et al., Phys. Plasmas 4, 2004 (1997); P.K. Patel et al., JQSRT 58, 835 (1997).) relevant to supernovae, and opacities relevant to stellar interiors.(F.J. Rogers and C.A. Iglesias, Science 263, 50 (1994); H. Merdji et al., JSQRT 58, 783 (1997).) are now possible with laser experiments. Equations of state relevant to the interiors of giant planets and brown dwarfs are also being experimentally accessed.(G.W. Collins et al., Science 281, 1178 (1998); A. Benuzzi et al., Phys. Rev. E 54, 2162 (1996).) With the construction of the NIF laser in the U.S., and the LIL and LMJ lasers in France, controlled investigations of thermonuclear burn physics will become possible in the next decade. And with existing and future ultra-high intensity short pulse lasers, investigations of relativistic astrophysical plasmas are becoming possible.(M.H. Key et al., Phys. Plasmas 5, 1966 (1998); F. Pegoraro et al., Plasma Phys. Contr. Fus. 39, B261 (1997).) A review of laboratory astrophysics experiments using intense lasers will be presented, and the potential for the future will be discussed.

Sensitivity of clear-sky direct radiative effect of the aerosol to micro-physical properties by using 6SV radiative transfer model: preliminary results

NASA Astrophysics Data System (ADS)

Bassani, Cristiana; Tirelli, Cecilia; Manzo, Ciro; Pietrodangelo, Adriana; Curci, Gabriele

2015-04-01

The aerosol micro-physical properties are crucial to analyze their radiative impact on the Earth's radiation budget [IPCC, 2007]. The 6SV model, last generation of the Second Simulation of a Satellite Signal in the Solar Spectrum (6S) radiative transfer code [Kotchenova et al., 2007; Vermote et al., 1997] has been used to perform physically-based atmospheric correction of hyperspectral airborne and aircraft remote sensing data [Vermote et al., 2009; Bassani et al. 2010; Tirelli et al., 2014]. The atmospheric correction of hyperspectral data has been shown to be sensitive to the aerosol micro-physical properties, as reported in Bassani et al., 2012. The role of the aerosol micro-physical properties on the accuracy of the atmospheric correction of hyperspectral data acquired over water and land targets is investigated within the framework of CLAM-PHYM (Coasts and Lake Assessment and Monitoring by PRISMA HYperspectral Mission) and PRIMES (Synergistic use of PRISMA products with high resolution meteo-chemical simulations and their validation on ground and from satellite) projects, both funded by Italian Space Agency (ASI). In this work, the results of the radiative field of the Earth/Atmosphere coupled system simulated by using 6SV during the atmospheric correction of hyperspectral data are presented. The analysis of the clear-sky direct radiative effect is performed considering the aerosol micro-physical properties used to define the aerosol model during the atmospheric correction process. In particular, the AERONET [Holben et al., 1998] and FLEXAOD [Curci et al., 2014] micro-physical properties are used for each image to evaluate the contribution of the size distribution and refractive index of the aerosol type on the surface reflectance and on the direct radiative forcing. The results highlight the potential of the hyperspectral remote sensing data for atmospheric studies as well as for environmental studies. Currently, the future hyperspectral missions, such as the PRISMA mission, are an opportunity to study the aerosol radiative effects. IPCC, 2007. Climate Change 2007: the Physical Science Basis. ISBN 978 0521 88009-1 Hardback; 978 0521 70596-7 Paperback. Kotchenova and Vermote, 2007. Appl. Opt. doi:10.1364/AO.46.004455. Vermote et al., 1997. IEEE Trans. Geosci. Remote Sens. doi:10.1109/36.581987. Vermote and Kotchenova, 2009. J. Geophys. Res. doi:10.1029/2007JD009662. Bassani et al., 2010. Sensors. doi:10.3390/s100706421. Bassani et al., 2012. Atmos. Meas. Tech. doi:10.5194/amt-5-1193-2012. Tirelli,C. et al., 2014. AGU2014, 15-19 September 2014. Holben et al., 1998. Rem. Sens. Environ. doi:10.1016/S0034-4257(98)00031-5 Curci et al., 2014. Atmos. Environ. doi:10.1016/j.atmosenv.2014.09.009

External tank chill effect on the space transportation system launch pad environment

NASA Technical Reports Server (NTRS)

Ahmad, R. A.; Boraas, S.

1991-01-01

The external tank (ET) of the STS contains liquid oxygen and liquid hydrogen as oxidizer and fuel for the SSMEs. Once the cryogen have been loaded into the ET, the temperature of the air surrounding the STS is chilled by the cold outer surface of the ET. This paper describes a two-dimensional flow and thermal analysis to determine this chill effect on the STS launch pad environment subsequent to the ET loading operation. The analysis was done assuming winter conditions and a northwest wind direction. An existing CFD code, PHOENICS '81, was used in the study. The results are presented as local and average values of the heat transfer coefficient, the Nusselt number, and the surface temperature around the redesigned solid rocket motors (RSRMs) and the ET. The temperature depression caused by the ET chilling of the air in the vicinity of the RSRMs was calculated to be 3 F below the ambient. This compares with the observed 1-2 F RSRM surface temperature depression based upon measurements made prior to the winter flight of STS-29. Since the surface temperature would be expected to be slightly higher than the local air temperature, the predicted temperature depression of the air appears to be substantiated.

Environmental Containment Property Estimation Using OSARs in an Expert System

DTIC Science & Technology

1990-09-14

point , melting point , aqueous solubility, octanol/water partition coefficient, vapor pressure, soil/water sorption coefficients, Henry’s Law constants...name, boiling point , melting point , or molecular weight, and the ability to transfer to any of the PEP modules. The chemical property database screen is...Yalkowski et al., 1980): log Ssupercooled liquid = log Ssolid = 0.01(MP - 25) (13) where MP is the compound’s melting point in *C. Property/protiny

How Simulator Interfaces Affect Transfer of Training: Comparing Wearable and Desktop Systems

DTIC Science & Technology

2012-06-01

Taylor et al., 2009). The GEM is a questionnaire designed to measure the participant’s experience with and knowledge of video games separately...based on the percentage of correct responses, with higher values indicating greater knowledge. GamePAB is a measure of the participant’s video game skill...designed specifically for military training, and is similar to many popular first-person shooter video games (e.g., Modern Warfare, Half Life, Virtual

Heat Transfer Effects on a Fully Premixed Methane Impinging Flame

DTIC Science & Technology

2014-10-30

Houzeaux et al., 2009). The GM- RES solver is also employed to solve for the enthalpy and species mass fractions. The Gauss - Seidel iterative method is...the system is therefore split to solve the mo- mentum and continuity equations independently. This is achieved by applying an iterative strategy...the momentum equation twice and the continuity equation once. The momentum equation is solved using the GMRES or BICGSTAB method (diagonal and Gauss

Tumor-derived exosomes modulate T cell function through transfer of RNA.

PubMed

House, Imran G; Petley, Emma V; Beavis, Paul A

2018-03-01

Tumor cells can develop a variety of mechanisms to evade and subvert the immune system for their survival. Bland et al., in this edition of The FEBS Journal, make the novel finding that the tumor line B16F0 can deliver mRNA/miRNA loaded exosomes to cytotoxic T lymphocytes and alter their metabolic function and interferon gamma production. © 2018 Federation of European Biochemical Societies.

Monitoring long-range electron transfer pathways in proteins by stimulated attosecond broadband X-ray Raman spectroscopy

DOE PAGES

Zhang, Yu; Biggs, Jason D.; Govind, Niranjan; ...

2014-10-09

In this study, long-range electron transfer (ET) plays a key role in many biological energy conversion and synthesis processes. We show that nonlinear spectroscopy with attosecond X-ray pulses provides a real time movie of the evolving oxidation states and electron densities around atoms, and can probe these processes with high spatial and temporal resolution. This is demonstrated in a simulation study of the stimulated X-ray Raman (SXRS) signals in Re-modified azurin, which had long served as a benchmark for long-range ET in proteins. Nonlinear SXRS signals are sensitive to the local electronic structure and should offer a novel window formore » long-range ET.« less

77 FR 3291 - Proposed Collection; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2012-01-23

... of 1934 (15 U.S.C. 78a et seq.) (``Exchange Act''). Rule 17Ac2-2 and Form TA-2 require transfer... requirements are designed to ensure that all registered transfer agents are providing the Commission with sufficient information on an annual basis about the transfer agent community and for the Commission to...

Genetic analysis of traits affecting the success of embryo transfer in dairy cattle.

PubMed

König, S; Bosselmann, F; von Borstel, U U; Simianer, H

2007-08-01

The primary aim of this study was to estimate variance components for traits related to embryo transfer (ET) by applying generalized linear mixed models (GLMM) for different distributions of traits (normal, binomial, and Poisson) in a synergistic context. Synergistic models were originally developed for traits affected by several genotypes, denoted as maternal, paternal, and direct effects. In the case of ET, the number of flushed ova (FO) only depends on a donor's maternal genetic effect, whereas paternal fertility must be considered for other embryo survival traits, such as the number of transferable embryos (TE), the number of degenerated embryos (DE), the number of unfertilized oocytes (UO), and the percentage of transferable embryos (PTE). Data for these traits were obtained from 4,196 flushes of 2,489 Holstein cows within 4 regions of northwest Germany from January 1998 through October 2004. Estimates of maternal heritability were 0.231 for FO, 0.096 for TE, 0.021 for DE, 0.135 for UO, and 0.099 for PTE, whereas the relative genetic impact of the paternal component was near zero. Estimates of the genetic correlations between the maternal and the paternal component were slightly negative, indicating a genetic antagonism. For the analysis of pregnancy after ET, 8,239 transfers to 6,819 different Holstein-Friesian recipients were considered by applying threshold methodology. The direct heritability for pregnancy in the recipient after ET was 0.056. The relative genetic impact of maternal and paternal components on pregnancy of recipients describing a donor's and a sire's ability to produce viable embryos was below 1%. The genetic correlations of the direct effect of the recipient with the sire of embryos (paternal effect) and the donor cow (maternal effect) for pregnancy after ET were -0.32 and -0.14, respectively. With the exception of FO and PTE (-0.17), estimates of genetic correlations among traits for the maternal site were distinctly positive, especially between FO and TE (0.74). Based on this high genetic correlation and due to the higher heritability for FO, indirect selection on FO will increase selection response in TE by about 22% compared with direct selection on TE. The negative genetic correlation of -0.27 between TE and lactation milk yield indicates the need for development of an index for bull dams in multiple ovulation and embryo transfer (MOET) breeding schemes combining production as well as traits related to ET.

Extracting electron transfer coupling elements from constrained density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu Qin; Van Voorhis, Troy

2006-10-28

Constrained density functional theory (DFT) is a useful tool for studying electron transfer (ET) reactions. It can straightforwardly construct the charge-localized diabatic states and give a direct measure of the inner-sphere reorganization energy. In this work, a method is presented for calculating the electronic coupling matrix element (H{sub ab}) based on constrained DFT. This method completely avoids the use of ground-state DFT energies because they are known to irrationally predict fractional electron transfer in many cases. Instead it makes use of the constrained DFT energies and the Kohn-Sham wave functions for the diabatic states in a careful way. Test calculationsmore » on the Zn{sub 2}{sup +} and the benzene-Cl atom systems show that the new prescription yields reasonable agreement with the standard generalized Mulliken-Hush method. We then proceed to produce the diabatic and adiabatic potential energy curves along the reaction pathway for intervalence ET in the tetrathiafulvalene-diquinone (Q-TTF-Q) anion. While the unconstrained DFT curve has no reaction barrier and gives H{sub ab}{approx_equal}17 kcal/mol, which qualitatively disagrees with experimental results, the H{sub ab} calculated from constrained DFT is about 3 kcal/mol and the generated ground state has a barrier height of 1.70 kcal/mol, successfully predicting (Q-TTF-Q){sup -} to be a class II mixed-valence compound.« less

Respiration of metal (hydr)oxides by Shewanella and Geobacter: a key role for multihaem c-type cytochromes

PubMed Central

Shi, Liang; Squier, Thomas C; Zachara, John M; Fredrickson, James K

2007-01-01

Dissimilatory reduction of metal (e.g. Fe, Mn) (hydr)oxides represents a challenge for microorganisms, as their cell envelopes are impermeable to metal (hydr)oxides that are poorly soluble in water. To overcome this physical barrier, the Gram-negative bacteria Shewanella oneidensis MR-1 and Geobacter sulfurreducens have developed electron transfer (ET) strategies that require multihaem c-type cytochromes (c-Cyts). In S. oneidensis MR-1, multihaem c-Cyts CymA and MtrA are believed to transfer electrons from the inner membrane quinone/quinol pool through the periplasm to the outer membrane. The type II secretion system of S. oneidensis MR-1 has been implicated in the reduction of metal (hydr)oxides, most likely by translocating decahaem c-Cyts MtrC and OmcA across outer membrane to the surface of bacterial cells where they form a protein complex. The extracellular MtrC and OmcA can directly reduce solid metal (hydr)oxides. Likewise, outer membrane multihaem c-Cyts OmcE and OmcS of G. sulfurreducens are suggested to transfer electrons from outer membrane to type IV pili that are hypothesized to relay the electrons to solid metal (hydr)oxides. Thus, multihaem c-Cyts play critical roles in S. oneidensis MR-1- and G. sulfurreducens-mediated dissimilatory reduction of solid metal (hydr)oxides by facilitating ET across the bacterial cell envelope. PMID:17581116

Studies of acoustic-electric feed-throughs for power transmission through structures

NASA Technical Reports Server (NTRS)

Sherrit, Stewart; Doty, Benjamin; Badescu, Mircea; Bao, Xiaoqi; Bar-Cohen, Yoseph; Aldrich, Jack; Chang, Zensheu

2006-01-01

There are numerous engineering design problems where the use of wires to transfer power and communicate data thru the walls of a structure is prohibitive or significantly difficult that it may require a complex design. Using physical feedthroughs in such systems may make them susceptible to leakage of chemicals or gasses, loss of pressure or vacuum, as well as difficulties in providing adequate thermal or electrical insulation. Moreover, feeding wires thru a wall of a structure reduces the strength of the structure and makes the structure prone to cracking due to fatigue that can result from cyclic loading and stress concentrations. One area that has already been identified to require a wireless alternative to electrical feedthroughs is the container of the Mars Sample Return Mission, which will need wireless sensors to sense a pressure leak and to avoid potential contamination. The idea of using elastic or acoustic waves to transfer power was suggested recently by [Y. Hu, et al., July 2003]. This system allows for the avoidance of cabling or wiring. The technology is applicable to the transfer of power for actuation, sensing and other tasks inside any sealed container or vacuum/pressure vessel. An alternative approach to the modeling presented previously [Sherrit et a., 2005] used network analysis to solve the same problem in a clear and expandable manner. Experimental tests on three different designs of these devices were performed. The three designs used different methods of coupling the piezoelectric element to the wall. In the first test the piezoelectric material was bolted using a backing structure. In the second test the piezoelectric was clamped after the application of grease and finally the piezoelectric element was attached using a conductive epoxy. The mechanical clamp with grease produced the highest measured efficiency of 53% however this design was the least practical from a fabrication viewpoint. The power transfer efficiency of conductive epoxy joint was 40% and the stress bolts (12%).

Nuclear Data Needs for Generation IV Nuclear Energy Systems

NASA Astrophysics Data System (ADS)

Rullhusen, Peter

2006-04-01

Nuclear data needs for generation IV systems. Future of nuclear energy and the role of nuclear data / P. Finck. Nuclear data needs for generation IV nuclear energy systems-summary of U.S. workshop / T. A. Taiwo, H. S. Khalil. Nuclear data needs for the assessment of gen. IV systems / G. Rimpault. Nuclear data needs for generation IV-lessons from benchmarks / S. C. van der Marck, A. Hogenbirk, M. C. Duijvestijn. Core design issues of the supercritical water fast reactor / M. Mori ... [et al.]. GFR core neutronics studies at CEA / J. C. Bosq ... [et al]. Comparative study on different phonon frequency spectra of graphite in GCR / Young-Sik Cho ... [et al.]. Innovative fuel types for minor actinides transmutation / D. Haas, A. Fernandez, J. Somers. The importance of nuclear data in modeling and designing generation IV fast reactors / K. D. Weaver. The GIF and Mexico-"everything is possible" / C. Arrenondo Sánchez -- Benmarks, sensitivity calculations, uncertainties. Sensitivity of advanced reactor and fuel cycle performance parameters to nuclear data uncertainties / G. Aliberti ... [et al.]. Sensitivity and uncertainty study for thermal molten salt reactors / A. Biduad ... [et al.]. Integral reactor physics benchmarks- The International Criticality Safety Benchmark Evaluation Project (ICSBEP) and the International Reactor Physics Experiment Evaluation Project (IRPHEP) / J. B. Briggs, D. W. Nigg, E. Sartori. Computer model of an error propagation through micro-campaign of fast neutron gas cooled nuclear reactor / E. Ivanov. Combining differential and integral experiments on [symbol] for reducing uncertainties in nuclear data applications / T. Kawano ... [et al.]. Sensitivity of activation cross sections of the Hafnium, Tanatalum and Tungsten stable isotopes to nuclear reaction mechanisms / V. Avrigeanu ... [et al.]. Generating covariance data with nuclear models / A. J. Koning. Sensitivity of Candu-SCWR reactors physics calculations to nuclear data files / K. S. Kozier, G. R. Dyck. The lead cooled fast reactor benchmark BREST-300: analysis with sensitivity method / V. Smirnov ... [et al.]. Sensitivity analysis of neutron cross-sections considered for design and safety studies of LFR and SFR generation IV systems / K. Tucek, J. Carlsson, H. Wider -- Experiments. INL capabilities for nuclear data measurements using the Argonne intense pulsed neutron source facility / J. D. Cole ... [et al.]. Cross-section measurements in the fast neutron energy range / A. Plompen. Recent measurements of neutron capture cross sections for minor actinides by a JNC and Kyoto University Group / H. Harada ... [et al.]. Determination of minor actinides fission cross sections by means of transfer reactions / M. Aiche ... [et al.] -- Evaluated data libraries. Nuclear data services from the NEA / H. Henriksson, Y. Rugama. Nuclear databases for energy applications: an IAEA perspective / R. Capote Noy, A. L. Nichols, A. Trkov. Nuclear data evaluation for generation IV / G. Noguère ... [et al.]. Improved evaluations of neutron-induced reactions on americium isotopes / P. Talou ... [et al.]. Using improved ENDF-based nuclear data for candu reactor calculations / J. Prodea. A comparative study on the graphite-moderated reactors using different evaluated nuclear data / Do Heon Kim ... [et al.].

3D Neutronic Analysis in MHD Calculations at ARIES-ST Fusion Reactors Systems

NASA Astrophysics Data System (ADS)

Hançerliogulları, Aybaba; Cini, Mesut

2013-10-01

In this study, we developed new models for liquid wall (FW) state at ARIES-ST fusion reactor systems. ARIES-ST is a 1,000 MWe fusion reactor system based on a low aspect ratio ST plasma. In this article, we analyzed the characteristic properties of magnetohydrodynamics (MHD) and heat transfer conditions by using Monte-Carlo simulation methods (ARIES Team et al. in Fusion Eng Des 49-50:689-695, 2000; Tillack et al. in Fusion Eng Des 65:215-261, 2003) . In fusion applications, liquid metals are traditionally considered to be the best working fluids. The working liquid must be a lithium-containing medium in order to provide adequate tritium that the plasma is self-sustained and that the fusion is a renewable energy source. As for Flibe free surface flows, the MHD effects caused by interaction with the mean flow is negligible, while a fairly uniform flow of thick can be maintained throughout the reactor based on 3-D MHD calculations. In this study, neutronic parameters, that is to say, energy multiplication factor radiation, heat flux and fissile fuel breeding were researched for fusion reactor with various thorium and uranium molten salts. Sufficient tritium amount is needed for the reactor to work itself. In the tritium breeding ratio (TBR) >1.05 ARIES-ST fusion model TBR is >1.1 so that tritium self-sufficiency is maintained for DT fusion systems (Starke et al. in Fusion Energ Des 84:1794-1798, 2009; Najmabadi et al. in Fusion Energ Des 80:3-23, 2006).

Gas transfer between the atmosphere and irrigated sugarcane plantation sites under different rainfall in Hawai'i

NASA Astrophysics Data System (ADS)

Miyazawa, Y.; Giambelluca, T. W.; Crow, S. E.; Mudd, R. G.; Youkhana, A.; Nullet, M.; Nakahata, M.

2015-12-01

Sugarcane plantation land cover is increasing in area in Brazil, South Asia and the Pacific Islands because of the growing demand for sugar and biofuel production. While a large portion of sugarcane cultivated in Brazil is rain-fed and experiences drought influences on gas exchange, sugarcane in Hawai'i is thought to be buffered from drought effects because it is drip irrigated. Knowledge about carbon sequestration and evapotranspiration rates is fundamental both for the prediction of sugar and biofuel production and for water resource management for the large plantations. To understand gas transfer under spatially and temporally heterogeneous environments, we investigated the leaf- soil- and stand-scale gas transfer processes at two irrigated sugarcane plantation study sites in Hawai'i with contrasting rainfall. Gas and energy transfers were monitored using eddy covariance systems for a full- and later half- crop cycle. Leaf ecophysiological traits were measured for stands of different ages to evaluate the effects of stand age on gas transfer. Carbon sequestration rates (Fc) showed a strong relationship with solar radiation with small differences between sites. Latent heat flux expressed as the evapotranspiration rates (ET) also had a strong relationship with solar radiation, but showed seasonality due to variations in biological control (surface conductance) and atmospheric evaporative demand. The difference in ET and its responses to environments was less clear partly buffered by the differences in the stand age and seasons. The stable Fc-solar radiation relationship despite the variation in surface conductance was partly due to the saturation of net photosynthetic rates with intercellular CO2 concentration and the low sensitivity of net photosynthesis to variations in surface conductance in sugarcane with the C4 photosynthesis pathway. The response of gas transfer to periodic irrigation, rainfall and age-related changes in leaf ecophysiological traits will be discussed.

Three new genera of rhinebothriidean cestodes from stingrays in Southeast Asia.

PubMed

Caira, Janine N; Healy, Claire J; Marques, Fernando P L; Jensen, Kirsten

2017-04-04

Three genera of rhinebothriideans, previously referred to as New genus 1, New genus 2 and New genus 4, are erected in the the Anthocephaliidae. New genus 1 is established as Divaricobothrium gen. n., with Divaricobothrium tribelum sp. n. as its type species; Echeneibothrium trifidum Shipley et Hornell, 1906 is transferred to the genus as Divaricobothrium trifidum (Shipley et Hornell, 1906) comb. n. This genus is unique among rhinebothriidean genera in bearing bothridia that are posteriorly deeply divided into two lobes with facial loculi but no apical sucker, and a vagina that extends to near the anterior margin of the proglottid. Its species parasitise Indo-Pacific members of the genera Brevitrygon Last, Naylor et Manjaji-Matsumoto, Maculabatis Last, Naylor et Manjaji-Matsumoto and Pateobatis Last, Naylor et Manjaji-Matsumoto. New genus 2 is established as Barbeaucestus gen. n., with Barbeaucestus jockuschae sp. n. as its type species; Barbeaucestus ralickiae sp. n. is also described. Anthobothrium sexorchidum Williams, 1964 and Rhinebothrium shipleyi Southwell, 1912 are transferred to the genus as Barbeaucestus sexorchidus (Williams, 1964) comb. n. and Barbeaucestus shipleyi (Southwell, 1912) comb. n., respectively. This genus is unique among rhinebothriidean genera in that its bothridia are substantially wider than long, bear an apical sucker and at least one row of two or more facial loculi in their anterior half. Its species parasitise the genera Neotrygon Castelnau and Taeniura Müller et Henle. New genus 4 is established as Sungaicestus gen. n. with transfer of Rhinebothrium kinabatanganensis Healy, 2006, as Sungaicestus kinabatanganensis (Healy, 2006) comb. n., as its type species. Among the genera of its order, this genus most closely resembles Rhinebothrium Linton, 1890, however, despite the original description, the bothridia were found to bear, rather than lack, apical suckers. This monotypic genus is known only from the freshwater stingray Urogymnus polylepis (Müller et Henle). The familial diagnosis of the Anthocephaliidae Ruhnke, Caira et Cox, 2015 is emended. The family now houses five genera.

Effects of horizontal grid resolution on evapotranspiration partitioning using TerrSysMP

NASA Astrophysics Data System (ADS)

Shrestha, P.; Sulis, M.; Simmer, C.; Kollet, S.

2018-02-01

Biotic leaf transpiration (T) and abiotic evaporation (E) are the two major pathways by which water is transferred from land surfaces to the atmosphere. Earth system models simulating the terrestrial water, carbon and energy cycle are required to reliably embed the role of soil and vegetation processes in order to realistically reproduce both fluxes including their relative contributions to total evapotranspiration (ET). Earth system models are also being used with increasing spatial resolutions to better simulate the effects of surface heterogeneity on the regional water and energy cycle and to realistically include effects of subsurface lateral flow paths, which are expected to feed back on the exchange fluxes and their partitioning in the model. Using the hydrological component of the Terrestrial Systems Modeling Platform (TerrSysMP), we examine the uncertainty in the estimates of T/ET ratio due to horizontal model grid resolution for a dry and wet year in the Inde catchment (western Germany). The aggregation of topography results in smoothing of slope magnitudes and the filtering of small-scale convergence and divergence zones, which directly impacts the surface-subsurface flow. Coarsening of the grid resolution from 120 m to 960 m increased the available soil moisture for ground evaporation, and decreased T/ET ratio by about 5% and 8% for dry and wet year respectively. The change in T/ET ratio was more pronounced for agricultural crops compared to forested areas, indicating a strong local control of vegetation on the ground evaporation, affecting the domain average statistics.

Electron Transfer Activity of a de Novo Designed Copper Center in a Three-Helix Bundle Fold

PubMed Central

Plegaria, Jefferson S.; Herrero, Christian; Quaranta, Annamaria; Pecoraro, Vincent L.

2017-01-01

In this work, we characterized the intermolecular ET property of a de novo designed metallopeptide using laser-flash photolysis. α3D-CH3 is three-helix bundle peptide that was designed to contain a copper ET site found in the β-barrel fold of native cupredoxins. The ET activity of Cuα3D-CH3 was determined using five different photosensitizers. By exhibiting a complete depletion of the photo-oxidant and the successive formation of a Cu(II) species at 400 nm, the transient and generated spectra demonstrated an ET transfer reaction between the photo-oxidant and Cu(I)α3D-CH3. This observation illustrated our success in integrating an ET center within a de novo designed scaffold. From the kinetic traces at 400 nm, first-order and bimolecular rate constants of 105 s−1 and 108 M−1 s−1 were derived. Moreover, a Marcus equation analysis on the rate versus driving force study produced a reorganization energy of 1.1 eV, demonstrating that the helical fold of α3D requires further structural optimization to efficiently perform ET. PMID:26427552

Specific recognition and inhibition of Ewing tumour growth by antigen-specific allo-restricted cytotoxic T cells

PubMed Central

Thiel, U; Pirson, S; Müller-Spahn, C; Conrad, H; Busch, D H; Bernhard, H; Burdach, S; Richter, G H S

2011-01-01

Background: The development of a successful immunotherapy is hampered by an ineffective T-cell repertoire against tumour antigens and the inability of the patient's immune system to overcome tolerance-inducing mechanisms. Here, we test the specific recognition and lytical potential of allo-restricted CD8+ T cells against Ewing tumour (ET) associated antigens Enhancer of Zeste, Drosophila Homolog 2 (EZH2), and Chondromodulin-I (CHM1) identified through previous microarray analysis. Methods: Following repetitive CHM1319 (VIMPCSWWV) and EZH2666 (YMCSFLFNL) peptide-driven stimulations with HLA-A*0201+ dendritic cells (DC), allo-restricted HLA-A*0201− CD8+ T cells were stained with HLA-A*0201/peptide multimers, sorted and expanded by limiting dilution. Results: Expanded T cells specifically recognised peptide-pulsed target cells or antigen-transfected cells in the context of HLA-A*0201 and killed HLA-A*0201+ ET lines expressing the antigen while HLA-A*0201– ET lines were not affected. Furthermore, adoptively transferred T cells caused significant ET growth delay in Rag2−/−γC−/− mice. Within this context, we identified the CHM1319 peptide as a new candidate target antigen for ET immunotherapy. Conclusion: These results clearly identify the ET-derived antigens, EZH2666 and CHM1319, as suitable targets for protective allo-restricted human CD8+ T-cell responses against non-immunogenic ET and may benefit new therapeutic strategies in ET patients treated with allogeneic stem cell transplantation. PMID:21407224

Quantum Coherent Dynamics Enhanced by Synchronization with Nonequilibrium Environments

NASA Astrophysics Data System (ADS)

Ishikawa, Akira; Okada, Ryo; Uchiyama, Kazuharu; Hori, Hirokazu; Kobayashi, Kiyoshi

2018-05-01

We report the discovery of the anomalous enhancement of quantum coherent dynamics (CD) due to a non-Markovian mechanism originating from not thermal-equilibrium phonon baths but nonequilibrium coherent phonons. CD is an elementary process for quantum phenomena in nanosystems, such as excitation transfer (ET) in semiconductor nanostructures and light-harvesting systems. CD occurs in homogeneous nanosystems because system inhomogeneity typically destroys coherence. In real systems, however, nanosystems behave as open systems surrounded by environments such as phonon systems. Typically, CD in inhomogeneous nanosystems is enhanced by the absorption and emission of thermal-equilibrium phonons, and the enhancement is described by the conventional master equation. On the other hand, CD is also enhanced by synchronization between population dynamics in nanosystems and coherent phonons; namely, coherent phonons, which are self-consistently induced by phase matching with Rabi oscillation, are fed back to enhance CD. This anomalous enhancement of CD essentially originates from the nonequilibrium and dynamical non-Markovian nature of coherent phonon environments, and the enhancement is firstly predicted by applying time-dependent projection operators to nonequilibrium and dynamical environments. Moreover, CD is discussed by considering ET from a donor to an acceptor. It is found that the enhancement of ET by synchronization with coherent phonons depends on the competition between the output time from a system to an acceptor and the formation time of coherent phonons. These findings in this study will stimulate the design and manipulation of CD via structured environments from the viewpoint of application to nano-photoelectronic devices.

Aerodynamic heating to representative SRB and ET protuberances

NASA Technical Reports Server (NTRS)

Engel, C. D.; Lapointe, J. K.

1979-01-01

Heating data and data scaling methods which can be used on representative solid rocket booster and external tank (ET) protuberances are described. Topics covered include (1) ET geometry and heating points; (2) interference heating test data (51A); (3) heat transfer data from tests FH-15 and FH-16; (4) individual protuberance data; and (5) interference heating of paint data from test IH-42. A set of drawings of the ET moldline and protuberances is included.

Fluctuating hydrogen-bond networks govern anomalous electron transfer kinetics in a blue copper protein.

PubMed

Kretchmer, Joshua S; Boekelheide, Nicholas; Warren, Jeffrey J; Winkler, Jay R; Gray, Harry B; Miller, Thomas F

2018-06-12

We combine experimental and computational methods to address the anomalous kinetics of long-range electron transfer (ET) in mutants of Pseudomonas aeruginosa azurin. ET rates and driving forces for wild type (WT) and three N47X mutants (X = L, S, and D) of Ru(2,2'-bipyridine) 2 (imidazole)(His83) azurin are reported. An enhanced ET rate for the N47L mutant suggests either an increase of the donor-acceptor (DA) electronic coupling or a decrease in the reorganization energy for the reaction. The underlying atomistic features are investigated using a recently developed nonadiabatic molecular dynamics method to simulate ET in each of the azurin mutants, revealing unexpected aspects of DA electronic coupling. In particular, WT azurin and all studied mutants exhibit more DA compression during ET (>2 Å) than previously recognized. Moreover, it is found that DA compression involves an extended network of hydrogen bonds, the fluctuations of which gate the ET reaction, such that DA compression is facilitated by transiently rupturing hydrogen bonds. It is found that the N47L mutant intrinsically disrupts this hydrogen-bond network, enabling particularly facile DA compression. This work, which reveals the surprisingly fluctional nature of ET in azurin, suggests that hydrogen-bond networks can modulate the efficiency of long-range biological ET. Copyright © 2018 the Author(s). Published by PNAS.

Mechanically Controlled Electron Transfer in a Single-Polypeptide Transistor

NASA Astrophysics Data System (ADS)

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.

Laparoscopic ovarian cystectomy of endometriomas does not affect the ovarian response to gonadotropin stimulation.

PubMed

Marconi, Guillermo; Vilela, Martín; Quintana, Ramiro; Sueldo, Carlos

2002-10-01

To evaluate the ovarian response cycles of IVF-ET in patients who previously underwent laparoscopic cystectomy for endometriomas. Retrospective study with prospective selection of participants and controls. Instituto de Ginecología y Fertilidad Buenos Aires, Argentina. Thirty-nine patients underwent an operation for ovarian endometriomas by atraumatic removal of the pseudocapsule with minimal bipolar cauterization of small bleeders and an IVF-ET cycle (group A) and 39 control patients of similar age underwent an IVF-ET cycle for tubal factor infertility (group B). Laparoscopic endometrioma cystectomy, IVF-ET cycle. E(2) levels, number of gonadotropin ampoules, follicles, oocytes retrieved, number and quality of embryos transferred, and clinical pregnancy rate. There were no differences in all the parameters studied (E(2) levels, number of follicles, oocytes retrieved, number and quality of embryos transferred, and clinical pregnancy rate) except for the number of gonadotropin ampoules needed for ovarian hyperstimulation, which was significantly higher in group A than in group B. Our results indicate that laparoscopic cystectomy for endometriomas is an appropriate treatment since it did not negatively affect the ovarian response for IVF-ET.

Photoinduced Electron Transfer in the Strong Coupling Regime: Waveguide-Plasmon Polaritons.

PubMed

Zeng, Peng; Cadusch, Jasper; Chakraborty, Debadi; Smith, Trevor A; Roberts, Ann; Sader, John E; Davis, Timothy J; Gómez, Daniel E

2016-04-13

Reversible exchange of photons between a material and an optical cavity can lead to the formation of hybrid light-matter states where material properties such as the work function [ Hutchison et al. Adv. Mater. 2013 , 25 , 2481 - 2485 ], chemical reactivity [ Hutchison et al. Angew. Chem., Int. Ed. 2012 , 51 , 1592 - 1596 ], ultrafast energy relaxation [ Salomon et al. Angew. Chem., Int. Ed. 2009 , 48 , 8748 - 8751 ; Gomez et al. J. Phys. Chem. B 2013 , 117 , 4340 - 4346 ], and electrical conductivity [ Orgiu et al. Nat. Mater. 2015 , 14 , 1123 - 1129 ] of matter differ significantly to those of the same material in the absence of strong interactions with the electromagnetic fields. Here we show that strong light-matter coupling between confined photons on a semiconductor waveguide and localized plasmon resonances on metal nanowires modifies the efficiency of the photoinduced charge-transfer rate of plasmonic derived (hot) electrons into accepting states in the semiconductor material. Ultrafast spectroscopy measurements reveal a strong correlation between the amplitude of the transient signals, attributed to electrons residing in the semiconductor and the hybridization of waveguide and plasmon excitations.

Voluntary intake of paracetamol-enriched drinking water and its influence on the success of embryo transfer in mice.

PubMed

Fleischmann, Thea; Arras, Margarete; Sauer, Mareike; Saleh, Lanja; Rülicke, Thomas; Jirkof, Paulin

2017-04-01

Embryo transfer (ET) in mice is a key technique in biomedical research, and is carried out mostly via surgery by transferring founder embryos into pseudo-pregnant recipient females. To cover post-operative analgesic requirements in surrogate mothers, oral self-administration of painkillers has several advantages, but its effectiveness has also been criticized as voluntary ingestion of the drug can be uncertain. Additionally, concerns about potential negative side effects of analgesics on embryo viability and development have been raised. In this regard, we investigated the impact of orally administered analgesia by comparing the outcome of ET with and without paracetamol in the drinking water (3.5mg/ml) of surrogate mothers. Water intake increased significantly when paracetamol, as a sweet-tasting formulation (children's syrup), was added to the drinking water. Measurements of paracetamol concentrations in blood serum confirmed reasonable drug uptake. Success rate of ETs and the body weight of newborn offspring were not different whether paracetamol was administered for two days after surgery or not. In conclusion, paracetamol in drinking water was consumed voluntarily in substantial doses, without detectable side-effects, by freshly operated surrogate mothers, and can therefore be recommended as a feasible method for providing analgesic treatment for surgical ET in mice. Copyright © 2017 Elsevier Ltd. All rights reserved.

Mechanistic Studies of Hafnium-Pyridyl Amido-Catalyzed 1-Octene Polymerization and Chain Transfer Using Quench-Labeling Methods.

PubMed

Cueny, Eric S; Johnson, Heather C; Anding, Bernie J; Landis, Clark R

2017-08-30

Chromophore quench-labeling applied to 1-octene polymerization as catalyzed by hafnium-pyridyl amido precursors enables quantification of the amount of active catalyst and observation of the molecular weight distribution (MWD) of Hf-bound polymers via UV-GPC analysis. Comparison of the UV-detected MWD with the MWD of the "bulk" (all polymers, from RI-GPC analysis) provides important mechanistic information. The time evolution of the dual-detection GPC data, concentration of active catalyst, and monomer consumption suggests optimal activation conditions for the Hf pre-catalyst in the presence of the activator [Ph 3 C][B(C 6 F 5 ) 4 ]. The chromophore quench-labeling agents do not react with the chain-transfer agent ZnEt 2 under the reaction conditions. Thus, Hf-bound polymeryls are selectively labeled in the presence of zinc-polymeryls. Quench-labeling studies in the presence of ZnEt 2 reveal that ZnEt 2 does not influence the rate of propagation at the Hf center, and chain transfer of Hf-bound polymers to ZnEt 2 is fast and quasi-irreversible. The quench-label techniques represent a means to study commercial polymerization catalysts that operate with high efficiency at low catalyst concentrations without the need for specialized equipment.

[Comparison of Alarelin and Triptorelin in the long-protocol ovulation induction in in vitro fertilization and embryo transfer].

PubMed

Duan, Jin-Liang; Jiang, Yuan-Hua; Liu, Ying; Zeng, Qiong-Fang; Huang, Ya-Dan

2010-07-01

To compare the pituitary down-regulatory effects of the two gonadotropin-releasing hormone agonists Alarelin and Triptorelin in the long protocol of ovulation induction in in vitro fertilization and embryo transfer (IVF-ET). We included in this study 122 patients aged 24-39 years treated by IVF-ET for secondary infertility, with 10-20 pre-antral follicles and obstruction of the fallopian tube. Seventy-eight of them received Alarelin, and the other 44 Triptorelin. Comparative analyses were made on the pituitary down-regulatory effects of the two gonadotropin-releasing hormone agonists and the clinical outcomes of IVF-ET. No premature LH surge and ovulation, nor severe hyperovarian stimulation syndrome was found in either group. There were no significant differences between the two groups in the mean dose and duration of gonodatropin treatment, the numbers of oocytes retrieved, mature oocytes and top-quality embryos, and the rates of 2PN, multi-sperm fertilization, cleavage, embryo transfer, embryo implantation, clinical pregnancy and early miscarriage (P > 0.05), but the rate of cancelled cycles was significantly higher in the Triptorelin than in the Alarelin group (P < 0.05). Alarelin and Triptorelin can achieve similar pituitary down-regulatory effects and clinical outcomes in IVF-ET when used in the long protocol of ovulation induction.

A quasi-classical study of energy transfer in collisions of hyperthermal H atoms with SO2 molecules.

PubMed

da Silva, Ramon S; Garrido, Juan D; Ballester, Maikel Y

2017-08-28

A deep understanding of energy transfer processes in molecular collisions is at central attention in physical chemistry. Particularly vibrational excitation of small molecules colliding with hot light atoms, via a metastable complex formation, has shown to be an efficient manner of enhancing reactivity. A quasi-classical trajectory study of translation-to-vibration energy transfer (T-V ET) in collisions of hyperthermal H( 2 S) atoms with SO 2 (X̃ 1 A ' ) molecules is presented here. For such a study, a double many-body expansion potential energy surface previously reported for HSO 2 ( 2 A) is used. This work was motivated by recent experiments by Ma et al. studying collisions of H + SO 2 at the translational energy of 59 kcal/mol [J. Ma et al., Phys. Rev. A 93, 040702 (2016)]. Calculations reproduce the experimental evidence that during majority of inelastic non-reactive collision processes, there is a metastable intermediate formation (HOSO or HSO 2 ). Nevertheless, the analysis of the trajectories shows that there are two distinct mechanisms in the T-V ET process: direct and indirect. Direct T-V processes are responsible for the high population of SO 2 with relatively low vibrational excitation energy, while indirect ones dominate the conversion from translational energy to high values of the vibrational counterpart.

Linking the historical and chemical definitions of diabatic states for charge and excitation energy transfer reactions in condensed phase.

PubMed

Pavanello, Michele; Neugebauer, Johannes

2011-10-07

Marcus theory of electron transfer (ET) and Förster theory of excitation energy transfer (EET) rely on the Condon approximation and the theoretical availability of initial and final states of ET and EET reactions, often called diabatic states. Recently [Subotnik et al., J. Chem. Phys. 130, 234102 (2009)], diabatic states for practical calculations of ET and EET reactions were defined in terms of their interactions with the surrounding environment. However, from a purely theoretical standpoint, the definition of diabatic states must arise from the minimization of the dynamic couplings between the trial diabatic states. In this work, we show that if the Condon approximation is valid, then a minimization of the derived dynamic couplings leads to corresponding diabatic states for ET reactions taking place in solution by diagonalization of the dipole moment matrix, which is equivalent to a Boys localization algorithm; while for EET reactions in solution, diabatic states are found through the Edmiston-Ruedenberg localization algorithm. In the derivation, we find interesting expressions for the environmental contribution to the dynamic coupling of the adiabatic states in condensed-phase processes. In one of the cases considered, we find that such a contribution is trivially evaluable as a scalar product of the transition dipole moment with a quantity directly derivable from the geometry arrangement of the nuclei in the molecular environment. Possibly, this has applications in the evaluation of dynamic couplings for large scale simulations. © 2011 American Institute of Physics

Freeze-all policy: fresh vs. frozen-thawed embryo transfer.

PubMed

Roque, Matheus; Valle, Marcello; Guimarães, Fernando; Sampaio, Marcos; Geber, Selmo

2015-05-01

To compare in vitro fertilization (IVF) outcomes between fresh embryo transfer (ET) and frozen-thawed ET (the "freeze-all" policy), with fresh ET performed only in cases without progesterone (P) elevation. Prospective, observational, cohort study. Private IVF center. A total of 530 patients submitted to controlled ovarian stimulation (COS) with a gonadotropin-releasing hormone-antagonist protocol, and cleavage-stage, day-3 ET. None. Ongoing pregnancy rates. A total of 530 cycles were included in the analysis: 351 in the fresh ET group (when P levels were ≤1.5 ng/mL on the trigger day); and 179 cycles in the freeze-all group (ET performed after endometrial priming with estradiol valerate, at 6 mg/d, taken orally). For the fresh ET group vs. the freeze-all group, respectively, the implantation rate was 19.9% and 26.5%; clinical pregnancy rate was 35.9% and 46.4%; and ongoing pregnancy rate was 31.1% and 39.7%. The IVF outcomes were significantly better in the group using the freeze-all policy, compared with the group using fresh ET. These results suggest that even in a select group of patients that underwent fresh ET (P levels ≤1.5 ng/mL), endometrial receptivity may have been impaired by COS, and outcomes may be improved by using the freeze-all policy. Copyright © 2015 American Society for Reproductive Medicine. Published by Elsevier Inc. All rights reserved.

New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shakib, Farnaz A.; Hanna, Gabriel, E-mail: gabriel.hanna@ualberta.ca

In a previous study [F. A. Shakib and G. Hanna, J. Chem. Phys. 141, 044122 (2014)], we investigated a model proton-coupled electron transfer (PCET) reaction via the mixed quantum-classical Liouville (MQCL) approach and found that the trajectories spend the majority of their time on the mean of two coherently coupled adiabatic potential energy surfaces. This suggested a need for mean surface evolution to accurately simulate observables related to ultrafast PCET processes. In this study, we simulate the time-dependent populations of the three lowest adiabatic states in the ET-PT (i.e., electron transfer preceding proton transfer) version of the same PCET modelmore » via the MQCL approach and compare them to the exact quantum results and those obtained via the fewest switches surface hopping (FSSH) approach. We find that the MQCL population profiles are in good agreement with the exact quantum results and show a significant improvement over the FSSH results. All of the mean surfaces are shown to play a direct role in the dynamics of the state populations. Interestingly, our results indicate that the population transfer to the second-excited state can be mediated by dynamics on the mean of the ground and second-excited state surfaces, as part of a sequence of nonadiabatic transitions that bypasses the first-excited state surface altogether. This is made possible through nonadiabatic transitions between different mean surfaces, which is the manifestation of coherence transfer in MQCL dynamics. We also investigate the effect of the strength of the coupling between the proton/electron and the solvent coordinate on the state population dynamics. Drastic changes in the population dynamics are observed, which can be understood in terms of the changes in the potential energy surfaces and the nonadiabatic couplings. Finally, we investigate the state population dynamics in the PT-ET (i.e., proton transfer preceding electron transfer) and concerted versions of the model. The PT-ET results confirm the participation of all of the mean surfaces, albeit in different proportions compared to the ET-PT case, while the concerted results indicate that the mean of the ground- and first-excited state surfaces only plays a role, due to the large energy gaps between the ground- and second-excited state surfaces.« less

Understanding similarity of groundwater systems with empirical copulas

NASA Astrophysics Data System (ADS)

Haaf, Ezra; Kumar, Rohini; Samaniego, Luis; Barthel, Roland

2016-04-01

Within the classification framework for groundwater systems that aims for identifying similarity of hydrogeological systems and transferring information from a well-observed to an ungauged system (Haaf and Barthel, 2015; Haaf and Barthel, 2016), we propose a copula-based method for describing groundwater-systems similarity. Copulas are an emerging method in hydrological sciences that make it possible to model the dependence structure of two groundwater level time series, independently of the effects of their marginal distributions. This study is based on Samaniego et al. (2010), which described an approach calculating dissimilarity measures from bivariate empirical copula densities of streamflow time series. Subsequently, streamflow is predicted in ungauged basins by transferring properties from similar catchments. The proposed approach is innovative because copula-based similarity has not yet been applied to groundwater systems. Here we estimate the pairwise dependence structure of 600 wells in Southern Germany using 10 years of weekly groundwater level observations. Based on these empirical copulas, dissimilarity measures are estimated, such as the copula's lower- and upper corner cumulated probability, copula-based Spearman's rank correlation - as proposed by Samaniego et al. (2010). For the characterization of groundwater systems, copula-based metrics are compared with dissimilarities obtained from precipitation signals corresponding to the presumed area of influence of each groundwater well. This promising approach provides a new tool for advancing similarity-based classification of groundwater system dynamics. Haaf, E., Barthel, R., 2015. Methods for assessing hydrogeological similarity and for classification of groundwater systems on the regional scale, EGU General Assembly 2015, Vienna, Austria. Haaf, E., Barthel, R., 2016. An approach for classification of hydrogeological systems at the regional scale based on groundwater hydrographs EGU General Assembly 2016, Vienna, Austria. Samaniego, L., Bardossy, A., Kumar, R., 2010. Streamflow prediction in ungauged catchments using copula-based dissimilarity measures. Water Resources Research, 46. DOI:10.1029/2008wr007695

Transferability of polarizable models for ion-water electrostatic interaction

NASA Astrophysics Data System (ADS)

Masia, Marco

2009-06-01

Studies of ion-water systems at condensed phase and at interfaces have pointed out that molecular and ionic polarization plays an important role for many phenomena ranging from hydrogen bond dynamics to water interfaces' structure. Classical and ab initio Molecular Dynamics simulations reveal that induced dipole moments at interfaces (e.g. air-water and water-protein) are usually high, hinting that polarizable models to be implemented in classical force fields should be very accurate in reproducing the electrostatic properties of the system. In this paper the electrostatic properties of three classical polarizable models for ion-water interaction are compared with ab initio results both at gas and condensed phase. For Li+- water and Cl--water dimers the reproducibility of total dipole moments obtained with high level quantum chemical calculations is studied; for the same ions in liquid water, Car-Parrinello Molecular Dynamics simulations are used to compute the time evolution of ionic and molecular dipole moments, which are compared with the classical models. The PD2-H2O model developed by the author and coworkers [Masia et al. J. Chem. Phys. 2004, 121, 7362] together with the gaussian intermolecular damping for ion-water interaction [Masia et al. J. Chem. Phys. 2005, 123, 164505] showed to be the fittest in reproducing the ab initio results from gas to condensed phase, allowing for force field transferability.

Characterization of IntA, a Bidirectional Site-Specific Recombinase Required for Conjugative Transfer of the Symbiotic Plasmid of Rhizobium etli CFN42

PubMed Central

Hernández-Tamayo, Rogelio; Sohlenkamp, Christian; Puente, José Luis; Brom, Susana

2013-01-01

Site-specific recombination occurs at short specific sequences, mediated by the cognate recombinases. IntA is a recombinase from Rhizobium etli CFN42 and belongs to the tyrosine recombinase family. It allows cointegration of plasmid p42a and the symbiotic plasmid via site-specific recombination between attachment regions (attA and attD) located in each replicon. Cointegration is needed for conjugative transfer of the symbiotic plasmid. To characterize this system, two plasmids harboring the corresponding attachment sites and intA were constructed. Introduction of these plasmids into R. etli revealed IntA-dependent recombination events occurring at high frequency. Interestingly, IntA promotes not only integration, but also excision events, albeit at a lower frequency. Thus, R. etli IntA appears to be a bidirectional recombinase. IntA was purified and used to set up electrophoretic mobility shift assays with linear fragments containing attA and attD. IntA-dependent retarded complexes were observed only with fragments containing either attA or attD. Specific retarded complexes, as well as normal in vivo recombination abilities, were seen even in derivatives harboring only a minimal attachment region (comprising the 5-bp central region flanked by 9- to 11-bp inverted repeats). DNase I-footprinting assays with IntA revealed specific protection of these zones. Mutations that disrupt the integrity of the 9- to 11-bp inverted repeats abolish both specific binding and recombination ability, while mutations in the 5-bp central region severely reduce both binding and recombination. These results show that IntA is a bidirectional recombinase that binds to att regions without requiring neighboring sequences as enhancers of recombination. PMID:23935046

Reaction between aminoalkyl radicals and akyl halides: Dehalogenation by electron transfer?

NASA Astrophysics Data System (ADS)

Lalevée, J.; Fouassier, J. P.; Blanchard, N.; Ingold, K. U.

2011-07-01

Aminoalkyl radicals, such as Et2NCrad HCH3, have low oxidation potentials and are therefore powerful reducing agents. We have found that Et2NCrad HCH3 reacts with CCl4 and CBr4 in di-tert-butyl peroxide with bimolecular rate constants (measured by LFP) close, or equal, to the diffusion-controlled limit. For the less reactive halide, CH2Br2, the reaction rate is increased substantially by the addition of acetonitrile as a co-solvent. It is tentatively concluded that these reactions occur by electron-transfer from the aminoalkyl to the organohalide with formation of the iminium ion, Et2N+dbnd CHCH3 (NMR detection), halide ion and a halomethyl radical, e.g., rad CCl3 and rad CHCl2 (ESR, spin-trapping detection).

Cryopreserved embryo transfer: adjacent or non-adjacent to failed fresh long GnRH-agonist protocol IVF cycle.

PubMed

Volodarsky-Perel, Alexander; Eldar-Geva, Talia; Holzer, Hananel E G; Schonberger, Oshrat; Reichman, Orna; Gal, Michael

2017-03-01

The optimal time to perform cryopreserved embryo transfer (CET) after a failed oocyte retrieval-embryo transfer (OR-ET) cycle is unknown. Similar clinical pregnancy rates were recently reported in immediate and delayed CET, performed after failed fresh OR-ET, in cycles with the gonadotrophin-releasing hormone (GnRH) antagonist protocol. This study compared outcomes of CET performed adjacently (<50 days, n = 67) and non-adjacently (≥50 to 120 days, n = 62) to the last OR-day of cycles with the GnRH agonist down-regulation protocol. Additional inclusion criteria were patients' age 20-38 years, the transfer of only 1-2 cryopreserved embryos, one treatment cycle per patient and artificial preparation for CET. Significantly higher implantation, clinical pregnancy and live birth rates were found in the non-adjacent group than in the adjacent group: 30.5% versus 11.3% (P = 0.001), 41.9% versus 17.9% (P = 0.003) and 32.3% versus 13.4% (P = 0.01), respectively. These results support the postponement of CET after a failed OR-ET for at least one menstrual cycle, when a preceding long GnRH-agonist protocol is used. Copyright © 2016 Reproductive Healthcare Ltd. Published by Elsevier Ltd. All rights reserved.

Effect of surface radiation on natural convection in an asymmetrically heated channel-chimney system

NASA Astrophysics Data System (ADS)

Nasri, Zied; Derouich, Youssef; Laatar, Ali Hatem; Balti, Jalloul

2018-05-01

In this paper, a more realistic numerical approach that takes into account the effect of surface radiation on the laminar air flow induced by natural convection in a channel-chimney system asymmetrically heated at uniform heat flux is used. The aim is to enrich the results given in Nasri et al. (Int J Therm Sci 90:122-134, 2015) by varying all the geometric parameters of the system and by taking into account the effect of surface radiation on the flows. The numerical results are first validated against experimental and numerical data available in the literature. The computations have allowed the determination of optimal configurations that maximize the mass flow rate and the convective heat transfer and minimize the heated wall temperatures. The analysis of the temperature fields with the streamlines and the pressure fields has helped to explain the effects of surface radiation and of the different thermo-geometrical parameters on the system performances to improve the mass flow rate and the heat transfer with respect to the simple channel. It is shown that the thermal performance of the channel-chimney system in terms of lower heated wall temperatures is little affected by the surface radiation. At the end, simple correlation equations have been proposed for quickly and easily predict the optimal configurations as well as the corresponding enhancement rates of the induced mass flow rate and the convective heat transfer.

The efficacy and adverse effects of in vitro fertilization and embryo transfer.

PubMed

Corabian, P; Hailey, D

1999-01-01

This paper examines the current status of in vitro fertilization and embryo transfer (IVF-ET) as a treatment for various types of infertility. We reviewed studies on the efficacy and safety of IVF-ET and intracytoplasmic sperm injection (ICSI) plus IVF-ET, compared with conventional treatment or no treatment for various infertility diagnoses. Material retrieved included English language publications between 1992 and January 1997 that reported the results of prospective controlled clinical trials, cohort studies, and retrospective comparative studies with large series, and reviews presenting risks, complications, and longer-term health consequences associated with IVF-ET and ICSI. No adequate prospective comparative studies of sufficient power on the use of IVF-ET for specific infertility diagnoses have been reported to date. Most of the published reports concerning results with IVF-ET as a treatment of infertility have been based upon small, uncontrolled studies, with various methodological weaknesses. Reported results are not directly comparable. There are few follow-up data on outcomes after pregnancy is established or on long-term health consequences of the use of IVF-ET on mothers and their babies. IVF-ET has diffused widely without comprehensive assessment of its efficacy and safety. The available evidence supports its use only for severe bilateral tubal occlusion. For other diagnoses of infertility the evidence is limited and does not establish whether IVF-ET is effective. Long-term, well-designed, prospective clinical trials are required to determine when and for what indications IVF-ET is effective and what its health effects are on both mothers and their babies.

Information Processing, Specificity of Practice, and the Transfer of Learning: Considerations for Reconsidering Fidelity

ERIC Educational Resources Information Center

Grierson, Lawrence E. M.

2014-01-01

Much has been made in the recent medical education literature of the incorrect characterization of simulation along a continuum of low to high fidelity (Cook et al. "JAMA" 306(9): 978-988, 2011; Norman et al. "Med Educ" 46(7): 636-647, 2012; Teteris et al. "Adv Health Sci Educ" 17(1): 137-144, 2012). For the most…

Tuning the reactivity of mononuclear nonheme manganese(iv)-oxo complexes by triflic acid

DOE PAGES

Chen, Junying; Yoon, Heejung; Lee, Yong -Min; ...

2015-04-14

Triflic acid (HOTf)-bound nonheme Mn( IV)-oxo complexes, [(L)Mn IV(O)] 2+–(HOTf) 2 (L = N4Py and Bn-TPEN; N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine and Bn-TPEN = N-benzyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine), were synthesized by adding HOTf to the solutions of the [(L)Mn IV(O)] 2+ complexes and were characterized by various spectroscopies. The one-electron reduction potentials of the Mn IV(O) complexes exhibited a significant positive shift upon binding of HOTf. The driving force dependences of electron transfer (ET) from electron donors to the Mn IV(O) and Mn IV(O)–(HOTf) 2 complexes were examined and evaluated in light of the Marcus theory of ET to determine the reorganization energies of ET.more » The smaller reorganization energies and much more positive reduction potentials of the [(L)Mn IV(O)] 2+–(HOTf) 2 complexes resulted in greatly enhanced oxidation capacity towards one-electron reductants and para-X-substituted-thioanisoles. The reactivities of the Mn(IV)-oxo complexes were markedly enhanced by binding of HOTf, such as a 6.4 × 10 5-fold increase in the oxygen atom transfer (OAT) reaction (i.e., sulfoxidation). Such a remarkable acceleration in the OAT reaction results from the enhancement of ET from para-X-substituted-thioanisoles to the MnIV(O) complexes as revealed by the unified ET driving force dependence of the rate constants of OAT and ET reactions of [(L)Mn IV(O)] 2+–(HOTf) 2. In contrast, deceleration was observed in the rate of H-atom transfer (HAT) reaction of [(L)Mn IV(O)] 2+–(HOTf) 2 complexes with 1,4-cyclohexadiene as compared with those of the [(L)Mn IV(O)] 2+ complexes. Thus, the binding of two HOTf molecules to the Mn IV(O) moiety resulted in remarkable acceleration of the ET rate when the ET is thermodynamically feasible. When the ET reaction is highly endergonic, the rate of the HAT reaction is decelerated due to the steric effect of the counter anion of HOTf.« less

CNN pincer ruthenium catalysts for hydrogenation and transfer hydrogenation of ketones: experimental and computational studies.

PubMed

Baratta, Walter; Baldino, Salvatore; Calhorda, Maria José; Costa, Paulo J; Esposito, Gennaro; Herdtweck, Eberhardt; Magnolia, Santo; Mealli, Carlo; Messaoudi, Abdelatif; Mason, Sax A; Veiros, Luis F

2014-10-13

Reaction of [RuCl(CNN)(dppb)] (1-Cl) (HCNN=2-aminomethyl-6-(4-methylphenyl)pyridine; dppb=Ph2 P(CH2 )4 PPh2 ) with NaOCH2 CF3 leads to the amine-alkoxide [Ru(CNN)(OCH2 CF3 )(dppb)] (1-OCH2 CF3 ), whose neutron diffraction study reveals a short RuO⋅⋅⋅HN bond length. Treatment of 1-Cl with NaOEt and EtOH affords the alkoxide [Ru(CNN)(OEt)(dppb)]⋅(EtOH)n (1-OEt⋅n EtOH), which equilibrates with the hydride [RuH(CNN)(dppb)] (1-H) and acetaldehyde. Compound 1-OEt⋅n EtOH reacts reversibly with H2 leading to 1-H and EtOH through dihydrogen splitting. NMR spectroscopic studies on 1-OEt⋅n EtOH and 1-H reveal hydrogen bond interactions and exchange processes. The chloride 1-Cl catalyzes the hydrogenation (5 atm of H2 ) of ketones to alcohols (turnover frequency (TOF) up to 6.5×10(4) h(-1) , 40 °C). DFT calculations were performed on the reaction of [RuH(CNN')(dmpb)] (2-H) (HCNN'=2-aminomethyl-6-(phenyl)pyridine; dmpb=Me2 P(CH2 )4 PMe2 ) with acetone and with one molecule of 2-propanol, in alcohol, with the alkoxide complex being the most stable species. In the first step, the Ru-hydride transfers one hydrogen atom to the carbon of the ketone, whereas the second hydrogen transfer from NH2 is mediated by the alcohol and leads to the key "amide" intermediate. Regeneration of the hydride complex may occur by reaction with 2-propanol or with H2 ; both pathways have low barriers and are alcohol assisted. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Retrieval of Spatio-temporal Evaporation by Integrating Landsat OLI Optical and Thermal Data

NASA Astrophysics Data System (ADS)

Wandera, L. N.; Tol, C. V. D.; Mallick, K.; Bayat, B.; Verbeiren, B.; van Griensven, A.; Verhoef, W.; Suliga, J.; Barrios, J. M.; Chormański, J.; Kleniewska, M.

2017-12-01

Soil-Vegetation-Atmosphere (SVAT) Transfer Models are capable of providing continuous predictions of evapotranspiration (ET). However, providing these models with reliable spatio-temporal information of vegetation and soil properties remains challenging. Thus, combining optical and thermal satellite information might assists to overcome this challenge when using SVAT models. In this study, using a radiative transfer model of solar and sky radiation (RTMo), we simulate Landsat 8 reflectance bands (2-7). We then apply a numerical optimization approach to invert the model and retrieve the corresponding canopy attributes leaf chlorophyll content (Cab), leaf water content (Cw), leaf dry matter content (Cdm), leaf brown material (Cs), Leaf Area Index (LAI) and the leaf angle distribution function in the canopy at overpass time. The retrievals are then directly used as inputs into our SVAT model of choice, Soil Canopy Observations of Photochemistry and Energy Fluxes (SCOPE). Using a model for transfer of thermal radiation emitted by vegetation and soil (RTMt), we proceed to simulate Landsat radiance for the corresponding reflectance data using a lookup table (LUT). These variables were then used to develop a crop factor (Kc) map. A reference ET was generated and applied to the Kc map to obtain actual ET. We proceeded to interpolate the ET between the image acquisition dates to have a complete time series. The retrieval maps for the specific variables captured seasonal variability patterns for the respective variables. The generated KC map showed similar trend with the LAI maps. There was an underestimation of actual ET when the simulation was not constrained to the thermal information. The interpolation of ET between acquisition image dates reflected the seasonal trends. Key Word: SVAT, optical, thermal, remote sensing, evapotranspiration

Synergistically combining Optical and Thermal radiative transfer modelswithin the EO-LDAS data assimilation framework to estimate land surfaceand component temperatures from MODIS and Sentinel-3

NASA Astrophysics Data System (ADS)

Timmermans, J.; Gomez-Dans, J. L.; Verhoef, W.; Tol, C. V. D.; Lewis, P.

2017-12-01

Evapotranspiration (ET) cannot be directly measured from space. Instead it relies on modelling approaches that use several land surface parameters (LSP), LAI and LST, in conjunction with meteorological parameters. Such a modelling approach presents two caveats: the validity of the model, and the consistency between the different input parameters. Often this second step is not considered, ignoring that without good inputs no decent output can provided. When LSP- dynamics contradict each other, the output of the model cannot be representative of reality. At present however, the LSPs used in large scale ET estimations originate from different single-sensor retrieval-approaches and even from different satellite sensors. In response, the Earth Observation Land Data Assimilation System (EOLDAS) was developed. EOLDAS uses a multi-sensor approach to couple different satellite observations/types to radiative transfer models (RTM), consistently. It is therefore capable of synergistically estimating a variety of LSPs. Considering that ET is most sensitive to the temperatures of the land surface (components), the goal of this research is to expand EOLDAS to the thermal domain. This research not only focuses on estimating LST, but also on retrieving (soil/vegetation, Sunlit/shaded) component temperatures, to facilitate dual/quad-source ET models. To achieve this, The Soil Canopy Observations of Photosynthesis and Energy (SCOPE) model was integrated into EOLDAS. SCOPE couples key-parameters to key-processes, such as photosynthesis, ET and optical/thermal RT. In this research SCOPE was also coupled to MODTRAN RTM, in order to estimate BOA component temperatures directly from TOA observations. This paper presents the main modelling steps of integrating these complex models into an operational platform. In addition it highlights the actual retrieval using different satellite observations, such as MODIS and Sentinel-3, and meteorological variables from the ERA-Interim.

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

PubMed

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, giving rise to polaronic transport of charges from the donor ligand to the acceptor solid oxide surface.

Case-Based Reasoning in Transfer Learning

DTIC Science & Technology

2009-01-01

study of transfer in psychology and education (e.g., Thorndike & Woodworth, 1901; Perkins & Salomon, 1994; Bransford et al., 2000), among other...Sutton, R., & Barto, A. (1998). Reinforcement learning: An introduction. Cambridge, MA: MIT Press. Thorndike , E.L., & Woodworth, R.S. (1901). The

Opportunities for embryo transfer in the age of DNA testing

USDA-ARS?s Scientific Manuscript database

Embryo transfer (ET) has contributed to increasing selection intensity in cattle breeding for many years. Preimplantation DNA testing offers the opportunity to increase selection response further through increasing within-family selection intensity. Further increases in between-family selection inte...

Properties of a local dust storm on Mars' Atlantis Chaos by means of radiative transfer modeling.

NASA Astrophysics Data System (ADS)

Oliva, Fabrizio; Altieri, Francesca; Geminale, Anna; Bellucci, Giancarlo; D'Aversa, Emiliano; Carrozzo, Giacomo; Sindoni, Giuseppe; Grassi, Davide

2017-04-01

In this study we present the analysis of the dust properties in a local storm imaged in the Atlantis Chaos region on Mars by the OMEGA spectrometer (Bibring et al., 2004) on March 2nd 2005 (ORB1441_5). By means of an inverse radiative transfer code we study the dust properties across the region and try to infer the connection be-tween the local storm dynamics and the orography. OMEGA is a visible and near-IR mapping spectrometer, operating in the spectral range 0.38-5.1 μm with three separate channels with different spectral resolution. The instrument's IFOV is 1.2 mrad. To analyze the storm properties we have used the inverse radiative transfer model MITRA (Oliva et al., 2016; Sindoni et al., 2013) to retrieve the effective radius reff, the optical depth at 880 nm τ880 and the top pressure tp of the dust layer. We used the Mars Climate Database (MCD, Forget et al., 1999) to obtain the atmospheric properties of the studied region to be used as input in our model. Moreover we used the optical constants from Wolff et al. (2009) to describe the dust composition. The properties from the surface have been obtained by ap-plying the SAS method (Geminale et al., 2015) to observations of the same region relatively clear from dust. All retrievals have been performed in the spectral range 500 ÷ 2500 nm. Here we describe the result from our analysis carried out on selected regions of the storm and characterized by a different optical depth of the dust. Aknowledgements: This study has been performed within the UPWARDS project and funded in the context of the European Union's Horizon 2020 Programme (H2020-Compet-08-2014), grant agreement UPWARDS-633127. References: Bibring, J-P. et al., 2004. OMEGA: Observatoire pour la Minéralogie, l'Eau, les Glaces et l'Activité. Mars Express: the scientific payload, Ed. by Andrew Wilson, scientific coordination: Agustin Chicarro. ESA SP-1240, Noordwijk, Netherlands: ESA Publications Division, ISBN 92-9092-556-6, 2004, p. 37 - 49. Forget, F. et al., 1999. Improved general circulation models of the Martian atmosphere from the surface to above 80 km. Journal of Geophysical Research, Volume 104, Issue E10, 24155-24176. Geminale, A. et al., 2015. Removal of atmospheric features in near infrared spectra by means of principal components analysis and target transformation on Mars: I. Method. Icarus 253, 51-65. Oliva, F. et al., 2016. Clouds and hazes vertical structure of a Saturn's giant vortex from Cassini/VIMS-V data analysis. Icarus 278, 215-237. Sindoni, G. et al., 2013. Development of a Monte-Carlo Radiative Transfer Code for the Juno/JIRAM Limb Measurements. European Planetary Science Congress 2013, 8-13 September, London, UK. Wolff, M.J. et al., 2009. Wavelength dependence of dust aerosol single scattering albedo as observed by the Compact Reconnaissance Imaging Spectrometer. Journal of Geophysical Research, Vol. 114, E00D04.

Investigation of excited state, reductive quenching, and intramolecular electron transfer of Ru(II)–Re(I) supramolecular photocatalysts for CO 2 reduction using time-resolved IR measurements

DOE PAGES

Koike, Kazuhide; Grills, David C.; Tamaki, Yusuke; ...

2018-02-14

Supramolecular photocatalysts in which Ru(II) photosensitizer and Re(I) catalyst units are connected to each other by an ethylene linker are among the best known, most effective and durable photocatalytic systems for CO 2 reduction. In this paper we report, for the first time, time-resolved infrared (TRIR) spectra of three of these binuclear complexes to uncover why the catalysts function so efficiently. Selective excitation of the Ru unit with a 532 nm laser pulse induces slow intramolecular electron transfer from the 3MLCT excited state of the Ru unit to the Re unit, with rate constants of (1.0–1.1) × 10 4 smore » -1 as a major component and (3.5–4.3) × 10 6 s -1 as a minor component, in acetonitrile. The produced charge-separated state has a long lifetime, with charge recombination rate constants of only (6.5–8.4) × 10 4 s -1. Thus, although it has a large driving force (-ΔG 0 CR ~ 2.6 eV), this process is in the Marcus inverted region. On the other hand, in the presence of 1-benzyl-1,4-dihydronicotinamide (BNAH), reductive quenching of the excited Ru unit proceeds much faster (k q[BNAH (0.2 M)] = (3.5–3.8) × 10 6 s -1) than the abovementioned intramolecular oxidative quenching, producing the one-electron-reduced species (OERS) of the Ru unit. Nanosecond TRIR data clearly show that intramolecular electron transfer from the OERS of the Ru unit to the Re unit (k ET > 2 × 10 7 s -1) is much faster than from the excited state of the Ru unit, and that it is also faster than the reductive quenching process of the excited Ru unit by BNAH. To measure the exact value of k ET, picosecond TRIR spectroscopy and a stronger reductant were used. Thus, in the case of the binuclear complex with tri(p-fluorophenyl)phosphine ligands (RuRe(FPh)), for which intramolecular electron transfer is expected to be the fastest among the three binuclear complexes, in the presence of 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole (BIH), k ET was measured as k ET = (1.4 ± 0.1) × 10 9 s -1. This clearly shows that intramolecular electron transfer in these RuRe binuclear supramolecular photocatalysts is not the rate-determining process in the photocatalytic reduction of CO 2, which is one of the main reasons why they work so efficiently.« less

Investigation of excited state, reductive quenching, and intramolecular electron transfer of Ru(II)–Re(I) supramolecular photocatalysts for CO 2 reduction using time-resolved IR measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koike, Kazuhide; Grills, David C.; Tamaki, Yusuke

Supramolecular photocatalysts in which Ru(II) photosensitizer and Re(I) catalyst units are connected to each other by an ethylene linker are among the best known, most effective and durable photocatalytic systems for CO 2 reduction. In this paper we report, for the first time, time-resolved infrared (TRIR) spectra of three of these binuclear complexes to uncover why the catalysts function so efficiently. Selective excitation of the Ru unit with a 532 nm laser pulse induces slow intramolecular electron transfer from the 3MLCT excited state of the Ru unit to the Re unit, with rate constants of (1.0–1.1) × 10 4 smore » -1 as a major component and (3.5–4.3) × 10 6 s -1 as a minor component, in acetonitrile. The produced charge-separated state has a long lifetime, with charge recombination rate constants of only (6.5–8.4) × 10 4 s -1. Thus, although it has a large driving force (-ΔG 0 CR ~ 2.6 eV), this process is in the Marcus inverted region. On the other hand, in the presence of 1-benzyl-1,4-dihydronicotinamide (BNAH), reductive quenching of the excited Ru unit proceeds much faster (k q[BNAH (0.2 M)] = (3.5–3.8) × 10 6 s -1) than the abovementioned intramolecular oxidative quenching, producing the one-electron-reduced species (OERS) of the Ru unit. Nanosecond TRIR data clearly show that intramolecular electron transfer from the OERS of the Ru unit to the Re unit (k ET > 2 × 10 7 s -1) is much faster than from the excited state of the Ru unit, and that it is also faster than the reductive quenching process of the excited Ru unit by BNAH. To measure the exact value of k ET, picosecond TRIR spectroscopy and a stronger reductant were used. Thus, in the case of the binuclear complex with tri(p-fluorophenyl)phosphine ligands (RuRe(FPh)), for which intramolecular electron transfer is expected to be the fastest among the three binuclear complexes, in the presence of 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole (BIH), k ET was measured as k ET = (1.4 ± 0.1) × 10 9 s -1. This clearly shows that intramolecular electron transfer in these RuRe binuclear supramolecular photocatalysts is not the rate-determining process in the photocatalytic reduction of CO 2, which is one of the main reasons why they work so efficiently.« less

Simulation Studies on Cooling of Cryogenic Propellant by Gas Bubbling

NASA Astrophysics Data System (ADS)

Sandilya, Pavitra; Saha, Pritam; Sengupta, Sonali

Injection cooling was proposed to store cryogenic liquids (Larsen et al. [1], Schmidt [2]). When a non-condensable gas is injected through a liquid, the liquid component would evaporate into the bubble if its partial pressure in the bubble is lower than its vapour pressure. This would tend to cool the liquid. Earlier works on injection cooling was analysed by Larsen et al. [1], Schmidt [2], Cho et al. [3] and Jung et al. [4], considering instantaneous mass transfer and finite heat transfer between gas bubble and liquid. It is felt that bubble dynamics (break up, coalescence, deformation, trajectory etc.) should also play a significant role in liquid cooling. The reported work are based on simple assumptions like single bubble, zero bubble deformation, and no inter-bubble interactions. Hence in this work, we propose a lumped parameter model considering both heat and mass interactions between bubble and the liquid to gain a preliminary insight into the cooling phenomenon during gas injection through a liquid.

Correlative analysis of social support with anxiety and depression in men undergoing in vitro fertilization embryo transfer for the first time.

PubMed

Dong, Yue-Zhi; Yang, Xiao-Xia; Sun, Ying-Pu

2013-08-01

To explore the correlation between the level of social support and the extent of anxiety and depression in Chinese men undergoing in vitro fertilization embryo transfer (IVF-ET) for the first time, in order to provide a basis for male mental health counselling. Self-administered questionnaires covering general health status, anxiety (self-rating anxiety scale), depression (self-rating depression scale) and social support (social support rating scale) were completed by men undergoing their first round of IVF-ET. A total of 502 completed questionnaires were considered valid and were analysed. The anxiety, depression and social support scores for men undergoing their first round of IVF-ET were significantly higher than those for Chinese normative data. Social support was inversely correlated with anxiety and depression. These findings suggest that health care professionals should provide specific psychological counselling to Chinese men undergoing their first round of IVF-ET, in order to improve their psychological health and to facilitate increased levels of social support.

Covalent Linking Greatly Enhances Photoinduced Electron Transfer in Fullerene-Quantum Dot Nanocomposites: Time-Domain Ab Initio Study.

PubMed

Chaban, Vitaly V; Prezhdo, Victor V; Prezhdo, Oleg V

2013-01-03

Nonadiabatic molecular dynamics combined with time-domain density functional theory are used to study electron transfer (ET) from a CdSe quantum dot (QD) to the C60 fullerene, occurring in several types of hybrid organic/inorganic nanocomposites. By unveiling the time dependence of the ET process, we show that covalent bonding between the QD and C60 is particularly important to ensure ultrafast transmission of the excited electron from the QD photon-harvester to the C60 electron acceptor. Despite the close proximity of the donor and acceptor species provided by direct van der Waals contact, it leads to a notably weaker QD-C60 interaction than a lengthy molecular bridge. We show that the ET rate in a nonbonded mixture of QDs and C60 can be enhanced by doping. The photoinduced ET is promoted primarily by mid- and low-frequency vibrations. The study establishes the basic design principles for enhancing photoinduced charge separation in nanoscale light harvesting materials.

Mechanisms and rates of proton transfer to coordinated carboxydithioates: studies on [Ni(S2CR){PhP(CH2CH2PPh2)2}](+) (R = Me, Et, Bu(n) or Ph).

PubMed

Alwaaly, Ahmed; Clegg, William; Henderson, Richard A; Probert, Michael R; Waddell, Paul G

2015-02-21

The complexes [Ni(S2CR)(triphos)]BPh4 (R = Me, Et, Bu(n) or Ph; triphos = PhP{CH2CH2PPh2}2) have been prepared and characterised. X-ray crystallography (for R = Et, Ph, C6H4Me-4, C6H4OMe-4 and C6H4Cl-4) shows that the geometry of the five-coordinate nickel in the cation is best described as distorted trigonal bipyramidal, containing a bidentate carboxydithioate ligand with the two sulfur atoms spanning axial and equatorial sites, the other axial site being occupied by the central phosphorus of triphos. The reactions of [Ni(S2CR)(triphos)](+) with mixtures of HCl and Cl(-) in MeCN to form equilibrium solutions containing [Ni(SH(S)CR)(triphos)](2+) have been studied using stopped-flow spectrophotometry. The kinetics show that proton transfer is slower than the diffusion-controlled limit and involves at least two coupled equilibria. The first step involves the rapid association between [Ni(S2CR)(triphos)](+) and HCl to form the hydrogen-bonded precursor, {[Ni(S2CR)(triphos)](+)HCl} (K) and this is followed by the intramolecular proton transfer (k) to produce [Ni(SH(S)CR)(triphos)](2+). In the reaction of [Ni(S2CMe)(triphos)](+) the rate law is consistent with the carboxydithioate ligand undergoing chelate ring-opening after protonation. It seems likely that chelate ring-opening occurs for all [Ni(S2CR)(triphos)](+), but only with [Ni(S2CMe)(triphos)](+) is the protonation step sufficiently fast that chelate ring-opening is rate-limiting. With all other systems, proton transfer is rate-limiting. DFT calculations indicate that protonation can occur at either sulfur atom, but only protonation at the equatorial sulfur results in chelate ring-opening. The ways in which protonation of either sulfur atom complicates the analyses and interpretation of the kinetics are discussed.

Lunar ash flow with heat transfer.

NASA Technical Reports Server (NTRS)

Pai, S. I.; Hsieh, T.; O'Keefe, J. A.

1972-01-01

The most important heat-transfer process in the ash flow under consideration is heat convection. Besides the four important nondimensional parameters of isothermal ash flow (Pai et al., 1972), we have three additional important nondimensional parameters: the ratio of the specific heat of the gas, the ratio of the specific heat of the solid particles to that of gas, and the Prandtl number. We reexamine the one dimensional steady ash flow discussed by Pai et al. (1972) by including the effects of heat transfer. Numerical results for the pressure, temperature, density of the gas, velocities of gas and solid particles, and volume fraction of solid particles as function of altitude for various values of the Jeffreys number, initial velocity ratio, and two different gas species (steam and hydrogen) are presented.

ORCHILEAK (revision 3875): a new model branch to simulate carbon transfers along the terrestrial-aquatic continuum of the Amazon basin

NASA Astrophysics Data System (ADS)

Lauerwald, Ronny; Regnier, Pierre; Camino-Serrano, Marta; Guenet, Bertrand; Guimberteau, Matthieu; Ducharne, Agnès; Polcher, Jan; Ciais, Philippe

2017-10-01

Lateral transfer of carbon (C) from terrestrial ecosystems into the inland water network is an important component of the global C cycle, which sustains a large aquatic CO2 evasion flux fuelled by the decomposition of allochthonous C inputs. Globally, estimates of the total C exports through the terrestrial-aquatic interface range from 1.5 to 2.7 Pg C yr-1 (Cole et al., 2007; Battin et al., 2009; Tranvik et al., 2009), i.e. of the order of 2-5 % of the terrestrial NPP. Earth system models (ESMs) of the climate system ignore these lateral transfers of C, and thus likely overestimate the terrestrial C sink. In this study, we present the implementation of fluvial transport of dissolved organic carbon (DOC) and CO2 into ORCHIDEE (Organising Carbon and Hydrology in Dynamic Ecosystems), the land surface scheme of the Institut Pierre-Simon Laplace ESM. This new model branch, called ORCHILEAK, represents DOC production from canopy and soils, DOC and CO2 leaching from soils to streams, DOC decomposition, and CO2 evasion to the atmosphere during its lateral transport in rivers, as well as exchange with the soil carbon and litter stocks on floodplains and in swamps. We parameterized and validated ORCHILEAK for the Amazon basin, the world's largest river system with regard to discharge and one of the most productive ecosystems in the world. With ORCHILEAK, we are able to reproduce observed terrestrial and aquatic fluxes of DOC and CO2 in the Amazon basin, both in terms of mean values and seasonality. In addition, we are able to resolve the spatio-temporal variability in C fluxes along the canopy-soil-water continuum at high resolution (1°, daily) and to quantify the different terrestrial contributions to the aquatic C fluxes. We simulate that more than two-thirds of the Amazon's fluvial DOC export are contributed by the decomposition of submerged litter. Throughfall DOC fluxes from canopy to ground are about as high as the total DOC inputs to inland waters. The latter, however, are mainly sustained by litter decomposition. Decomposition of DOC and submerged plant litter contributes slightly more than half of the CO2 evasion from the water surface, while the remainder is contributed by soil respiration. Total CO2 evasion from the water surface equals about 5 % of the terrestrial NPP. Our results highlight that ORCHILEAK is well suited to simulate carbon transfers along the terrestrial-aquatic continuum of tropical forests. It also opens the perspective that provided parameterization, calibration and validation is performed for other biomes, the new model branch could improve the quantification of the global terrestrial C sink and help better constrain carbon cycle-climate feedbacks in future projections.

Discovery of an old nova shell surrounding the cataclysmic variable V1315 Aql

NASA Astrophysics Data System (ADS)

Sahman, D. I.; Dhillon, V. S.; Littlefair, S. P.; Hallinan, G.

2018-04-01

Following our tentative discovery of a faint shell around V1315 Aql reported in Sahman et al. (2015), we undertook deep Hα imaging and intermediate-resolution spectroscopy of the shell. We find that the shell has its geometric centre located on V1315 Aql. The mass, spectral features and density of the shell are consistent with other nova shells, rather than planetary nebulae or supernova remnants. The radial velocity of the shell is consistent with the systemic velocity of V1315 Aql. We believe this evidence strongly suggests that the shell originates from an earlier nova event. This is the first nova shell discovered around a novalike, and supports the theory of nova-induced cycles in mass transfer rates (hibernation theory) first proposed by Shara et al. (1986).

Discovery of an old nova shell surrounding the cataclysmic variable V1315 Aql

NASA Astrophysics Data System (ADS)

Sahman, D. I.; Dhillon, V. S.; Littlefair, S. P.; Hallinan, G.

2018-07-01

Following our tentative discovery of a faint shell around V1315 Aql reported in Sahman et al., we undertook deep Hα imaging and intermediate-resolution spectroscopy of the shell. We find that the shell has its geometric centre located on V1315 Aql. The mass, spectral features, and density of the shell are consistent with other nova shells, rather than planetary nebulae or supernova remnants. The radial velocity of the shell is consistent with the systemic velocity of V1315 Aql. We believe this evidence strongly suggests that the shell originates from an earlier nova event. This is the first nova shell discovered around a nova-like and supports the theory of nova-induced cycles in mass transfer rates (hibernation theory) first proposed by Shara et al.

Calibration of а single hexagonal NaI(Tl) detector using a new numerical method based on the efficiency transfer method

NASA Astrophysics Data System (ADS)

Abbas, Mahmoud I.; Badawi, M. S.; Ruskov, I. N.; El-Khatib, A. M.; Grozdanov, D. N.; Thabet, A. A.; Kopatch, Yu. N.; Gouda, M. M.; Skoy, V. R.

2015-01-01

Gamma-ray detector systems are important instruments in a broad range of science and new setup are continually developing. The most recent step in the evolution of detectors for nuclear spectroscopy is the construction of large arrays of detectors of different forms (for example, conical, pentagonal, hexagonal, etc.) and sizes, where the performance and the efficiency can be increased. In this work, a new direct numerical method (NAM), in an integral form and based on the efficiency transfer (ET) method, is used to calculate the full-energy peak efficiency of a single hexagonal NaI(Tl) detector. The algorithms and the calculations of the effective solid angle ratios for a point (isotropic irradiating) gamma-source situated coaxially at different distances from the detector front-end surface, taking into account the attenuation of the gamma-rays in the detector's material, end-cap and the other materials in-between the gamma-source and the detector, are considered as the core of this (ET) method. The calculated full-energy peak efficiency values by the (NAM) are found to be in a good agreement with the measured experimental data.

Recovery of Active and Efficient Photocatalytic H 2 Production for CdSe Quantum Dots

DOE PAGES

Burke, Rebeckah; Cogan, Nicole M. Briglio; Oi, Aidan; ...

2018-05-07

Recently, colloidal semiconductor quantum dots (QDs) have shown great promise as photocatalysts for the production of chemical fuels by sunlight. Here, the efficiency of photocatalytic hydrogen (H 2) production for integrated systems of large diameter (4.4 nm) CdSe QDs as light harvesting nanoparticles with varying concentrations of nickel-dihydrolipoic acid (Ni-DHLA) small molecule catalysts was measured. While exhibiting excellent robustness and longevity, the efficiency of H 2 production for equimolar catalyst and QDs was relatively poor. However, the efficiency was found to increase substantially with increasing Ni-DHLA:QD molar ratios Surprisingly, this high activity was only observed with the use of 3-mercaptopropionicmore » acid (MPA) ligands, while CdSe QDs capped with dihydrolipoic acid (DHLA) exhibited poor performance in comparison, indicating that the QD capping ligand has a substantial impact on the catalytic performance. Finally, ultrafast transient absorption spectroscopic measurements of the electron transfer (ET) dynamics show fast ET to the catalyst. Importantly, an increase in ET efficiency is observed as the catalyst concentration is increased. Together, these results suggest that for these large QDs, tailoring the QD surface environment for facile ET and increasing catalyst concentrations increases the probability of ET from QDs to Ni-DHLA, overcoming the relatively small driving force for ET and decreased surface electron density for large diameter QDs.« less

Recovery of Active and Efficient Photocatalytic H 2 Production for CdSe Quantum Dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burke, Rebeckah; Cogan, Nicole M. Briglio; Oi, Aidan

Recently, colloidal semiconductor quantum dots (QDs) have shown great promise as photocatalysts for the production of chemical fuels by sunlight. Here, the efficiency of photocatalytic hydrogen (H 2) production for integrated systems of large diameter (4.4 nm) CdSe QDs as light harvesting nanoparticles with varying concentrations of nickel-dihydrolipoic acid (Ni-DHLA) small molecule catalysts was measured. While exhibiting excellent robustness and longevity, the efficiency of H 2 production for equimolar catalyst and QDs was relatively poor. However, the efficiency was found to increase substantially with increasing Ni-DHLA:QD molar ratios Surprisingly, this high activity was only observed with the use of 3-mercaptopropionicmore » acid (MPA) ligands, while CdSe QDs capped with dihydrolipoic acid (DHLA) exhibited poor performance in comparison, indicating that the QD capping ligand has a substantial impact on the catalytic performance. Finally, ultrafast transient absorption spectroscopic measurements of the electron transfer (ET) dynamics show fast ET to the catalyst. Importantly, an increase in ET efficiency is observed as the catalyst concentration is increased. Together, these results suggest that for these large QDs, tailoring the QD surface environment for facile ET and increasing catalyst concentrations increases the probability of ET from QDs to Ni-DHLA, overcoming the relatively small driving force for ET and decreased surface electron density for large diameter QDs.« less

How to Say No: An Analysis of Cross-Cultural Difference and Pragmatic Transfer

ERIC Educational Resources Information Center

Chang, Yuh-Fang

2009-01-01

The purpose of the present study is to investigate pragmatic transfer in refusals by native speakers of Mandarin speaking English, and to what extent transfer is influenced by the learners' level of L2 proficiency. The elicitation instrument used for data collection was the discourse completion questionnaire developed by Beebe et al. [Beebe, L.,…

[Health consequences of passive smoking].

PubMed

Haustein, K O

2000-01-01

Environmental tobacco smoking (ETS) represents a main risk factor for the generation of diseases of the respiratory tract and of the cardiovascular system in spite of opposite assertions. ETS enhances the risk of lung cancer by a factor of 2-3. New born and small children (< 2 years of life) are at high risk if they live within this period of time in a household together with a maternal more than fraternal smoking. Endothelial cells of the blood vessels were already damaged during the first month of life of passive smoking children, and these defects can be measured during the first decade of life. ETS over a period of more than ten years changes the intima/media ratio by enhancing the thickness of the vessel wall. In addition, poor health behaviour is seen in households of smokers because the behaviour of the parents is transferred to that of their children, and this behaviour is the starting point of further health risks and damages. The represented data should firstly lead to enhancing primary smoking prevention among children and young people, and secondly to organizing programs against ETS at the workplace and in public buildings and at last also in the private home. More than up to date, the non-smoker must be informed about the risks and damages of ETS.

Flow in Rotating Serpentine Coolant Passages With Skewed Trip Strips

NASA Technical Reports Server (NTRS)

Tse, David G.N.; Steuber, Gary

1996-01-01

Laser velocimetry was utilized to map the velocity field in serpentine turbine blade cooling passages with skewed trip strips. The measurements were obtained at Reynolds and Rotation numbers of 25,000 and 0.24 to assess the influence of trips, passage curvature and Coriolis force on the flow field. The interaction of the secondary flows induced by skewed trips with the passage rotation produces a swirling vortex and a corner recirculation zone. With trips skewed at +45 deg, the secondary flows remain unaltered as the cross-flow proceeds from the passage to the turn. However, the flow characteristics at these locations differ when trips are skewed at -45 deg. Changes in the flow structure are expected to augment heat transfer, in agreement with the heat transfer measurements of Johnson, et al. The present results show that trips are skewed at -45 deg in the outward flow passage and trips are skewed at +45 deg in the inward flow passage maximize heat transfer. Details of the present measurements were related to the heat transfer measurements of Johnson, et al. to relate fluid flow and heat transfer measurements.

Electron transfer precedes ATP hydrolysis during nitrogenase catalysis

PubMed Central

Duval, Simon; Danyal, Karamatullah; Shaw, Sudipta; Lytle, Anna K.; Dean, Dennis R.; Hoffman, Brian M.; Antony, Edwin; Seefeldt, Lance C.

2013-01-01

The biological reduction of N2 to NH3 catalyzed by Mo-dependent nitrogenase requires at least eight rounds of a complex cycle of events associated with ATP-driven electron transfer (ET) from the Fe protein to the catalytic MoFe protein, with each ET coupled to the hydrolysis of two ATP molecules. Although steps within this cycle have been studied for decades, the nature of the coupling between ATP hydrolysis and ET, in particular the order of ET and ATP hydrolysis, has been elusive. Here, we have measured first-order rate constants for each key step in the reaction sequence, including direct measurement of the ATP hydrolysis rate constant: kATP = 70 s−1, 25 °C. Comparison of the rate constants establishes that the reaction sequence involves four sequential steps: (i) conformationally gated ET (kET = 140 s−1, 25 °C), (ii) ATP hydrolysis (kATP = 70 s−1, 25 °C), (iii) Phosphate release (kPi = 16 s−1, 25 °C), and (iv) Fe protein dissociation from the MoFe protein (kdiss = 6 s−1, 25 °C). These findings allow completion of the thermodynamic cycle undergone by the Fe protein, showing that the energy of ATP binding and protein–protein association drive ET, with subsequent ATP hydrolysis and Pi release causing dissociation of the complex between the Feox(ADP)2 protein and the reduced MoFe protein. PMID:24062462

Numerical and experimental results on the spectral wave transfer in finite depth

NASA Astrophysics Data System (ADS)

Benassai, Guido

2016-04-01

Determination of the form of the one-dimensional surface gravity wave spectrum in water of finite depth is important for many scientific and engineering applications. Spectral parameters of deep water and intermediate depth waves serve as input data for the design of all coastal structures and for the description of many coastal processes. Moreover, the wave spectra are given as an input for the response and seakeeping calculations of high speed vessels in extreme sea conditions and for reliable calculations of the amount of energy to be extracted by wave energy converters (WEC). Available data on finite depth spectral form is generally extrapolated from parametric forms applicable in deep water (e.g., JONSWAP) [Hasselmann et al., 1973; Mitsuyasu et al., 1980; Kahma, 1981; Donelan et al., 1992; Zakharov, 2005). The present paper gives a contribution in this field through the validation of the offshore energy spectra transfer from given spectral forms through the measurement of inshore wave heights and spectra. The wave spectra on deep water were recorded offshore Ponza by the Wave Measurement Network (Piscopia et al.,2002). The field regressions between the spectral parameters, fp and the nondimensional energy with the fetch length were evaluated for fetch-limited sea conditions. These regressions gave the values of the spectral parameters for the site of interest. The offshore wave spectra were transfered from the measurement station offshore Ponza to a site located offshore the Gulf of Salerno. The offshore local wave spectra so obtained were transfered on the coastline with the TMA model (Bouws et al., 1985). Finally the numerical results, in terms of significant wave heights, were compared with the wave data recorded by a meteo-oceanographic station owned by Naples Hydrographic Office on the coastline of Salerno in 9m depth. Some considerations about the wave energy to be potentially extracted by Wave Energy Converters were done and the results were discussed.

Challenges and Development of a Multi-Scale Computational Model for Photosystem I Decoupled Energy Conversion

DTIC Science & Technology

2013-06-01

Applications of Molecular Modeling to Challenges in Clean Energy; Fitzgerald, G., et al .; ACS Symposium Series; American Chemical Society: Washington, DC...to 178 In Applications of Molecular Modeling to Challenges in Clean Energy; Fitzgerald, G., et al .; ACS Symposium Series; American Chemical Society...Washington, DC, 2013. developmodels of spectral properties and energy transfer kinetics (20–22). Ivashin et al . optimized select ligands (α

MICOS and phospholipid transfer by Ups2-Mdm35 organize membrane lipid synthesis in mitochondria.

PubMed

Aaltonen, Mari J; Friedman, Jonathan R; Osman, Christof; Salin, Bénédicte; di Rago, Jean-Paul; Nunnari, Jodi; Langer, Thomas; Tatsuta, Takashi

2016-06-06

Mitochondria exert critical functions in cellular lipid metabolism and promote the synthesis of major constituents of cellular membranes, such as phosphatidylethanolamine (PE) and phosphatidylcholine. Here, we demonstrate that the phosphatidylserine decarboxylase Psd1, located in the inner mitochondrial membrane, promotes mitochondrial PE synthesis via two pathways. First, Ups2-Mdm35 complexes (SLMO2-TRIAP1 in humans) serve as phosphatidylserine (PS)-specific lipid transfer proteins in the mitochondrial intermembrane space, allowing formation of PE by Psd1 in the inner membrane. Second, Psd1 decarboxylates PS in the outer membrane in trans, independently of PS transfer by Ups2-Mdm35. This latter pathway requires close apposition between both mitochondrial membranes and the mitochondrial contact site and cristae organizing system (MICOS). In MICOS-deficient cells, limiting PS transfer by Ups2-Mdm35 and reducing mitochondrial PE accumulation preserves mitochondrial respiration and cristae formation. These results link mitochondrial PE metabolism to MICOS, combining functions in protein and lipid homeostasis to preserve mitochondrial structure and function. © 2016 Aaltonen et al.

Single-Molecule Interfacial Electron Transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, H. Peter

This project is focused on the use of single-molecule high spatial and temporal resolved techniques to study molecular dynamics in condensed phase and at interfaces, especially, the complex reaction dynamics associated with electron and energy transfer rate processes. The complexity and inhomogeneity of the interfacial ET dynamics often present a major challenge for a molecular level comprehension of the intrinsically complex systems, which calls for both higher spatial and temporal resolutions at ultimate single-molecule and single-particle sensitivities. Combined single-molecule spectroscopy and electrochemical atomic force microscopy approaches are unique for heterogeneous and complex interfacial electron transfer systems because the static andmore » dynamic inhomogeneities can be identified and characterized by studying one molecule at a specific nanoscale surface site at a time. The goal of our project is to integrate and apply these spectroscopic imaging and topographic scanning techniques to measure the energy flow and electron flow between molecules and substrate surfaces as a function of surface site geometry and molecular structure. We have been primarily focusing on studying interfacial electron transfer under ambient condition and electrolyte solution involving both single crystal and colloidal TiO 2 and related substrates. The resulting molecular level understanding of the fundamental interfacial electron transfer processes will be important for developing efficient light harvesting systems and broadly applicable to problems in fundamental chemistry and physics. We have made significant advancement on deciphering the underlying mechanism of the complex and inhomogeneous interfacial electron transfer dynamics in dyesensitized TiO 2 nanoparticle systems that strongly involves with and regulated by molecule-surface interactions. We have studied interfacial electron transfer on TiO 2 nanoparticle surfaces by using ultrafast single-molecule spectroscopy and electrochemical AFM metal tip scanning microscopy, focusing on understanding the interfacial electron transfer dynamics at specific nanoscale electron transfer sites with high-spatially and temporally resolved topographic-and-spectroscopic characterization at individual molecule basis, characterizing single-molecule rate processes, reaction driving force, and molecule-substrate electronic coupling. One of the most significant characteristics of our new approach is that we are able to interrogate the complex interfacial electron transfer dynamics by actively pin-point energetic manipulation of the surface interaction and electronic couplings, beyond the conventional excitation and observation.« less

Proton-Coupled Electron Transfer in a Strongly Coupled Photosystem II-Inspired Chromophore–Imidazole–Phenol Complex: Stepwise Oxidation and Concerted Reduction

DOE PAGES

Manbeck, Gerald F.; Fujita, Etsuko; Concepcion, Javier J.

2016-08-18

Proton-coupled electron-transfer (PCET) reactions were studied in acetonitrile for a Photosystem II (PSII) inspired [Ru(bpy) 2(phen-imidazole-Ph(OH)( tBu) 2)] 2+, in which Ru(III) generated by a flash-quench sequence oxidizes the appended phenol and the proton is transferred to the hydrogen bonded imidazole base. In contrast to related systems, the donor and acceptor are strongly coupled, as indicated by the shift in the Ru III/IIcouple upon phenol oxidation, and intramolecular oxidation of the phenol by Ru(III) is energetically favorable by both stepwise or concerted pathways. The phenol oxidation occurs via a stepwise ET-PT mechanism with k ET = 2.7 × 10 7more » s ₋1 and a kinetic isotope effect (KIE) of 0.99 ± 0.03. The electron transfer reaction was characterized as adiabatic with λ DA = 1.16 eV and 280 < H DA < 540 cm ₋1 consistent with strong electronic coupling and slow solvent dynamics. Reduction of the phenoxyl radical by the quencher radical was examined as the analogue of the redox reaction between the PSII tyrosyl radical and the oxygen evolving complex (OEC). In our PSII-inspired complex, the recombination reaction activation energy is < 2 kcal mol ₋1. In conclusion, the reaction is nonadiabatic (V PCET ~ 22 cm ₋1 (H) and 49 cm ₋1 (D)), concerted, and exhibits an unexpected inverse KIE of 0.55 that is attributed to greater overlap of the reactant vibronic ground state with the OD vibronic states of the proton acceptor due to the smaller quantum spacing of the deuterium vibrational levels.« less

Electromagnetic Control of High Heat-Flux Spray Impingement Boiling Under Microgravity Conditions

DTIC Science & Technology

2007-03-01

impingement boiling ( Mudawar , 2000; Chow et al., 1997; Tilton, 1989). With water as the working fluid, spray cooling has achieved a heat flux on the...Stebbins, C. J., and Mudawar , I., 1996. "Mapping of Impact and Heat Transfer Regimes of Water Drops Impinging on a Polished Surface," Int. J. Heat and Mass...34 Proceedings of SAE 2004 Power Systems Conference, 2004-01-3204, Reno NV, November, pp. 309-317. Mudawar , 1., 2000. "Assessment of High-heat Flux

Transient Heat Transfer in Coated Superconductors.

DTIC Science & Technology

1982-10-29

of the use of the SCEPTRE code are contained in the instruction manual and the book on the code. 30 An example of an actual SCEPTRE program is given in...22. 0. Tsukomoto and S. Kobayashi, J. of Appl. Physics, 46, 1359, (1975) 23. Y Iwasa and B.A. Apgar , Cryogenics 18, 267, (1978) 24. D.E. Baynham, V.W...Computer program for circuit and Systems Analysis. Prentice Hall 1971 and J.C. Bowers et. al. Users Manual for Super-Sceptre Government Document AD/A-OIl

The Impact of Changing International Relations on the Scientific and Technical Community (Incidence sur la Communaute Scientifique et Technique des Transformations en cours dans les Relations Internationales.

DTIC Science & Technology

1993-04-01

Processing of special formats (diagrams, tables) - Determination of words to be Pre-analysis Programs added to system dictionary Dictionary ...language Lexicon combinations, via a standardized interface (MIR) which maps METAL operates -n both monolingual lexicons and one the results of analyses...in uniform ways. transfer lexicon for each language pair. The monolingual lexi- Unfortunately, there is at present no linguistic theory which cons

Fundamental Study of Nuclear Pumped Laser Plasmas.

DTIC Science & Technology

1980-12-23

PUMPED DYE LASER PMT PUMPING/ GAS HAND- LING SYSTEM ANODE SIGNAL TO SCREEN ROOM FIGURE 13 EXPERIMENTAL APPARATUS FROM ANODE OF PMT SCREEN ROOM...and G.A. Zdasiuk, " Laser Induced Collisional and Radiative Energy Transfer’, Proceedings of Laser Spectroscopy IV, June 1979. W. R. Green, M.D. Wright...AD-A130 988 FUNDAMENTAL STUDY 0F NUCLEAR PUMPED LASER PLASMAS(U) 1/ MIAMI UNIV OXFORD UHDi EPT OF PHYSIS Cs W DOWNES ET AL 23 DEC AS OASGAS 7A C OSAN

Spectral analysis of Uranus' 2014 bright storm with VLT/SINFONI

NASA Astrophysics Data System (ADS)

Irwin, P. G. J.; Fletcher, L. N.; Read, P. L.; Tice, D.; de Pater, I.; Orton, G. S.; Teanby, N. A.; Davis, G. R.

2016-01-01

An extremely bright storm system observed in Uranus' atmosphere by amateur observers in September 2014 triggered an international campaign to observe this feature with many telescopes across the world. Observations of the storm system in the near infrared were acquired in October and November 2014 with SINFONI on ESO's Very Large Telescope (VLT) in Chile. SINFONI is an Integral Field Unit spectrometer returning 64 × 64 pixel images with 2048 wavelengths and uses adaptive optics. Image cubes in the H-band (1.43-1.87 μm) were obtained at spatial resolutions of ∼ 0.1″ per pixel. The observations show that the centre of the storm feature shifts markedly with increasing altitude, moving in the retrograde direction and slightly poleward with increasing altitude. We also see a faint 'tail' of more reflective material to the immediate south of the storm, which again trails in the retrograde direction. The observed spectra were analysed with the radiative transfer and retrieval code, NEMESIS (Irwin et al. [2008]. J. Quant. Spec. Radiat. Transfer, 109, 1136-1150). We find that the storm is well-modelled using either two main cloud layers of a 5-layer aerosol model based on Sromovsky et al. (Sromovsky et al. [2011]. Icarus, 215, 292-312) or by the simpler two-cloud-layer model of Tice et al. (Tice et al. [2013]. Icarus, 223, 684-698). The deep component appears to be due to a brightening (i.e. an increase in reflectivity) and increase in altitude of the main tropospheric cloud deck at 2-3 bars for both models, while the upper component of the feature was modelled as being due to either a thickening of the tropospheric haze of the 2-layer model or a vertical extension of the upper tropospheric cloud of the 5-layer model, assumed to be composed of methane ice and based at the methane condensation level of our assumed vertical temperature and abundance profile at 1.23 bar. We also found this methane ice cloud to be responsible for the faint 'tail' seen to the feature's south and the brighter polar 'hood' seen in all observations polewards of ∼45°N for the 5-layer model. During the twelve days between our sets of observations the higher-altitude component of the feature was observed to have brightened significantly and extended to even higher altitudes, while the deeper component faded.

Developing a global mixed-canopy, height-variable vegetation structure dataset for estimating global vegetation albedo by a clumped canopy radiative transfer scheme in the NASA Ent Terrestrial Biosphere Model and GISS GCM

NASA Astrophysics Data System (ADS)

Montes, Carlo; Kiang, Nancy Y.; Ni-Meister, Wenge; Yang, Wenze; Schaaf, Crystal; Aleinov, Igor; Jonas, Jeffrey A.; Zhao, Feng; Yao, Tian; Wang, Zhuosen; Sun, Qingsong; Carrer, Dominique

2016-04-01

Processes determining biosphere-atmosphere coupling are strongly influenced by vegetation structure. Thus, ecosystem carbon sequestration and evapotranspiration affecting global carbon and water balances will depend upon the spatial extent of vegetation, its vertical structure, and its physiological variability. To represent this globally, Dynamic Global Vegetation Models (DGVMs) coupled to General Circulation Models (GCMs) make use of satellite and/or model-based vegetation classifications often composed by homogeneous communities. This work aims at developing a new Global Vegetation Structure Dataset (GVSD) by incorporating varying vegetation heights for mixed plant communities to be used as boundary conditions to the Analytical Clumped Two-Stream (ACTS) canopy radiative transfer scheme (Ni-Meister et al., 2010) incorporated into the NASA Ent Terrestrial Biosphere Model (TBM), the DGVM coupled to the NASA Goddard Institute for Space Studies (GISS) GCM. Information sources about land surface and vegetation characteristics obtained from a number of earth observation platforms and algorithms include the Moderate Resolution Imaging Spectroradiometer (MODIS) land cover and plant functional types (PFTs) (Friedl et al., 2010), soil albedo derived from MODIS (Carrer et al., 2014), along with vegetation height from the Geoscience Laser Altimeter System (GLAS) on board ICESat (Ice, Cloud, and land Elevation Satellite) (Simard et al., 2011; Tang et al., 2014). Three widely used Leaf Area Index (LAI) products are compared as input to the GVSD and ACTS forcing in terms of vegetation albedo: Global Data Sets of Vegetation (LAI)3g (Zhu et al. 2013), Beijing Normal University LAI (Yuan et al., 2011), and MODIS MOD15A2H product (Yang et al., 2006). Further PFT partitioning is performed according to a climate classification utilizing the Climate Research Unit (CRU; Harris et al., 2013) and the NOAA Global Precipitation Climatology Centre (GPCC; Scheider et al., 2014) data. Final products are a GVSD consisting of mixed plant communities (e.g. mixed forests, savannas, mixed PFTs) following the Ecosystem Demography model (Moorcroft et al., 2001) approach represented by multi-cohort community patches at the sub-grid level of the GCM, which are ensembles of identical individuals whose differences are represented by PFTs, canopy height, density and vegetation structure sensitivity to allometric parameters. The performance of the Ent TBM in estimating VIS-NIR vegetation albedo by the new GVSD and ACTS is assessed first by comparison against the previous GISS GCM vegetation classification and prescribed Lambertian albedoes of Matthews (1984), and secondly, against MODIS global estimations and FLUXNET site-scale observations. Ultimately, this GVSD will serve as a template for community data sets, and be used as boundary conditions to the Ent TBM for prediction of biomass, carbon balances and GISS GCM climate.

Research Advances on Radiation Transfer Modeling and Inversion for Multi-Scale Land Surface Remote Sensing

NASA Astrophysics Data System (ADS)

Liu, Q.

2011-09-01

At first, research advances on radiation transfer modeling on multi-scale remote sensing data are presented: after a general overview of remote sensing radiation transfer modeling, several recent research advances are presented, including leaf spectrum model (dPROS-PECT), vegetation canopy BRDF models, directional thermal infrared emission models(TRGM, SLEC), rugged mountains area radiation models, and kernel driven models etc. Then, new methodologies on land surface parameters inversion based on multi-source remote sensing data are proposed. The land surface Albedo, leaf area index, temperature/emissivity, and surface net radiation etc. are taken as examples. A new synthetic land surface parameter quantitative remote sensing product generation system is designed and the software system prototype will be demonstrated. At last, multi-scale field experiment campaigns, such as the field campaigns in Gansu and Beijing, China will be introduced briefly. The ground based, tower based, and airborne multi-angular measurement system have been built to measure the directional reflectance, emission and scattering characteristics from visible, near infrared, thermal infrared and microwave bands for model validation and calibration. The remote sensing pixel scale "true value" measurement strategy have been designed to gain the ground "true value" of LST, ALBEDO, LAI, soil moisture and ET etc. at 1-km2 for remote sensing product validation.

Near-surface turbulence as a missing link in modeling evapotranspiration-soil moisture relationships

NASA Astrophysics Data System (ADS)

Haghighi, Erfan; Kirchner, James W.

2017-07-01

Despite many efforts to develop evapotranspiration (ET) models with improved parametrizations of resistance terms for water vapor transfer into the atmosphere, estimates of ET and its partitioning remain prone to bias. Much of this bias could arise from inadequate representations of physical interactions near nonuniform surfaces from which localized heat and water vapor fluxes emanate. This study aims to provide a mechanistic bridge from land-surface characteristics to vertical transport predictions, and proposes a new physically based ET model that builds on a recently developed bluff-rough bare soil evaporation model incorporating coupled soil moisture-atmospheric controls. The newly developed ET model explicitly accounts for (1) near-surface turbulent interactions affecting soil drying and (2) soil-moisture-dependent stomatal responses to atmospheric evaporative demand that influence leaf (and canopy) transpiration. Model estimates of ET and its partitioning were in good agreement with available field-scale data, and highlight hidden processes not accounted for by commonly used ET schemes. One such process, nonlinear vegetation-induced turbulence (as a function of vegetation stature and cover fraction) significantly influences ET-soil moisture relationships. Our results are particularly important for water resources and land use planning of semiarid sparsely vegetated ecosystems where soil surface interactions are known to play a critical role in land-climate interactions. This study potentially facilitates a mathematically tractable description of the strength (i.e., the slope) of the ET-soil moisture relationship, which is a core component of models that seek to predict land-atmosphere coupling and its feedback to the climate system in a changing climate.

Aerogel Insulation Applications for Liquid Hydrogen Launch Vehicle Tanks

NASA Technical Reports Server (NTRS)

Fesmire, J. E.; Sass, J.

2007-01-01

Aerogel based insulation systems for ambient pressure environments were developed for liquid hydrogen (LH2) tank applications. Solutions to thermal insulation problems were demonstrated for the Space Shuttle External Tank (ET) through extensive testing at the Cryogenics Test Laboratory. Demonstration testing was performed using a 1/10th scale ET LH2 intertank unit and liquid helium as the coolant to provide the 20 K cold boundary temperature. Cryopumping tests in the range of 20K were performed using both constant mass and constant pressure methods. Long-duration tests (up to 10 hours) showed that the nitrogen mass taken up inside the intertank is reduced by a factor of nearly three for the aerogel insulated case as compared to the un-insulated (bare metal flight configuration) case. Test results including thermal stabilization, heat transfer effectiveness, and cryopumping confirm that the aerogel system eliminates free liquid nitrogen within the intertank. Physisorption (or adsorption) of liquid nitrogen within the fine pore structure of aerogel materials was also investigated. Results of a mass uptake method show that the sorption ratio (liquid nitrogen to aerogel beads) is about 62 percent by volume. A novel liquid nitrogen production method of testing the liquid nitrogen physical adsorption capacity of aerogel beads was also performed to more closely approximate the actual launch vehicle cooldown and thermal stabilization effects within the aerogel material. The extraordinary insulating effectiveness of the aerogel material shows that cryopumping is not an open-cell mass transport issue but is strictly driven by thermal communication between warm and cold surfaces. The new aerogel insulation technology is useful to solve heat transfer problem areas and to augment existing thermal protection systems on launch vehicles. Examples are given and potential benefits for producing launch systems that are more reliable, robust, reusable, and efficient are outlined.

Role of quantum coherence in the thermodynamics of energy transfer

NASA Astrophysics Data System (ADS)

Henao, Ivan; Serra, Roberto M.

2018-06-01

Recent research on the thermodynamic arrow of time, at the microscopic scale, has questioned the universality of its direction. Theoretical studies showed that quantum correlations can be used to revert the natural heat flow (from the hot body to the cold one), posing an apparent challenge to the second law of thermodynamics. Such an "anomalous" heat current was observed in a recent experiment (K. Micadei et al., arXiv:1711.03323), by employing two spin systems initially quantum correlated. Nevertheless, the precise relationship between this intriguing phenomenon and the initial conditions that allow it is not fully evident. Here, we address energy transfer in a wider perspective, identifying a nonclassical contribution that applies to the reversion of the heat flow as well as to more general forms of energy exchange. We derive three theorems that describe the energy transfer between two microscopic systems, for arbitrary initial bipartite states. Using these theorems, we obtain an analytical bound showing that certain type of quantum coherence can optimize such a process, outperforming incoherent states. This genuine quantum advantage is corroborated through a characterization of the energy transfer between two qubits. For this system, it is shown that a large enough amount of coherence is necessary and sufficient to revert the thermodynamic arrow of time. As a second crucial consequence of the presented theorems, we introduce a class of nonequilibrium states that only allow unidirectional energy flow. In this way, we broaden the set where the standard Clausius statement of the second law applies.

Genome-wide microRNA expression profiling in placentae from frozen-thawed blastocyst transfer.

PubMed

Hiura, Hitoshi; Hattori, Hiromitsu; Kobayashi, Norio; Okae, Hiroaki; Chiba, Hatsune; Miyauchi, Naoko; Kitamura, Akane; Kikuchi, Hiroyuki; Yoshida, Hiroaki; Arima, Takahiro

2017-01-01

Frozen-thawed embryo transfer (FET) is increasingly available for the improvement of the success rate of assisted reproductive technologies other than fresh embryo transfer (ET). There have been numerous findings that FET provides better obstetric and perinatal outcomes. However, the birth weight of infants conceived using FET is heavier than that of those conceived via ET. In addition, some reports have suggested that FET is associated with perinatal diseases such as placenta accreta and pregnancy-induced hypertension (PIH). In this study, we compared the microRNA (miRNA) expression profiles in term placentae derived from FET, ET, and spontaneous pregnancy (SP). We identified four miRNAs, miR-130a-3p, miR-149-5p, miR-423-5p, and miR-487b-3p, that were significantly downregulated in FET placentae compared with those from SP and ET. We found that DNA methylation of MEG3 -DMR, not but IG-DMR, was associated with miRNA expression of the DLK1-DIO3 imprinted domain in the human placenta. In functional analyses, GO terms and signaling pathways related to positive regulation of gene expression, growth, development, cell migration, and type II diabetes mellitus (T2DM) were enriched. This study supports the hypothesis that the process of FET may increase exposure of epigenome to external influences.

Additional information for “TREMOR: A Wireless, MEMS Accelerograph for Dense Arrays” (Evans et al., 2003)

USGS Publications Warehouse

Evans, John R.; Hamstra, Robert H.; Spudich, Paul; Kundig, Christoph; Camina, Patrick; Rogers, John A.

2003-01-01

The length of Evans et al. (2003) necessitated transfer of several less germane sections to this alternate forum to meet that venue’s needs. These sections include a description of the development of Figure 1, the plot of spatial variability so critical to the argument for dense arrays of strong-motion instruments; the description of the rapid, integer, computational method for PGV used in the TREMOR instrument (the Oakland instrument, the commercial prototype, and the commercial instrument); siting methods and strategies used for Class B TREMOR instruments and those that can be used for Class C instruments to preserve the cost advantages of such systems; and some general discussion of MEMS accelerometers, including a comparative Table with representative examples of Class A, B and C MEMS devices. (“MEMS” means “Micro-ElectroMechanical” Systems—“micromachined” sensors, generally of silicon. Classes A, B, and C are defined in Table 1.)

Transient Simulation of Accumulating Particle Deposition in Pipe Flow

NASA Astrophysics Data System (ADS)

Hewett, James; Sellier, Mathieu

2015-11-01

Colloidal particles that deposit in pipe systems can lead to fouling which is an expensive problem in both the geothermal and oil & gas industries. We investigate the gradual accumulation of deposited colloids in pipe flow using numerical simulations. An Euler-Lagrangian approach is employed for modelling the fluid and particle phases. Particle transport to the pipe wall is modelled with Brownian motion and turbulent diffusion. A two-way coupling exists between the fouled material and the pipe flow; the local mass flux of depositing particles is affected by the surrounding fluid in the near-wall region. This coupling is modelled by changing the cells from fluid to solid as the deposited particles exceed each local cell volume. A similar method has been used to model fouling in engine exhaust systems (Paz et al., Heat Transfer Eng., 34(8-9):674-682, 2013). We compare our deposition velocities and deposition profiles with an experiment on silica scaling in turbulent pipe flow (Kokhanenko et al., 19th AFMC, 2014).

Mode-specific vibrational excitation and energy redistribution after ultrafast intramolecular electron transfer

NASA Astrophysics Data System (ADS)

Hogiu, S.; Werncke, W.; Pfeiffer, M.; Dreyer, J.; Elsaesser, T.

2000-07-01

Vibrational relaxation in the electronic ground state initiated by intramolecular back-electron transfer (b-ET) of betaine-30 (B-30) is studied by picosecond time-resolved anti-Stokes Raman spectroscopy. Measurements were carried out with B-30 dissolved in slowly as well as in rapidly relaxing solvents. We observed a risetime of the Raman band with the highest frequency near 1600 cm-1 which is close to the b-ET time τb-ET of B-30. For B-30 dissolved in propylene carbonate (τb-ET˜1 ps), the population of this mode exhibits a rise time of 1 ps whereas vibrational populations between 400 and 1400 cm-1 increase substantially slower. In contrast, in glycerol triacetin (τb-ET˜3.5 ps) and in ethanol (τb-ET˜6 ps) rise times of all modes are close to the respective b-ET times. Within the first few picoseconds, direct vibrational excitation through b-ET is favored for modes with the highest frequencies and high Franck-Condon factors. Later on, indirect channels of population due to vibrational energy redistribution (IVR) become effective. Thermal equilibrium populations of the Raman active modes are established within 10 to 15 ps after optical excitation.

Influence of Activity on Transfer of Pesticides from Treated Formica ® in Foods

EPA Science Inventory

The children’s dietary intake model (CDIM) has been developed to predict total dietary intake of a child incorporating excess exposures due to handling of food prior to consumption (Akland et al., 2000; Melnyk et al., unpublished). The model includes three Terms added together t...

Multi-Nozzle Spray Cooling in a Closed Loop (POSTPRINT)

DTIC Science & Technology

2011-03-01

characteristics and critical heat flux (CHF) at cooling surfaces (Sehmbey et al., 1992, Mudawar and Estes, 1996, Rini et al., 2002, Lin and Ponnappan, 2003...surface characteristics in evaporative spray cooling, Journal of Thermophysics and heat Transfer, 1992, Vol. 6, pp. 505-512. 3. Mudawar , I., and

The Roles of Biofilm Conductivity and Donor Substrate Kinetics in a Mixed-Culture Biofilm Anod

EPA Science Inventory

We experimentally assessed kinetics and thermodynamics of electron transfer (ET) from the donor substrate (acetate) to the anode for a mixed-culture biofilm anode. We interpreted the results with a modified biofilm-conduction model consisting of three ET steps: (1) intracellular...

Hadamard Transform Time-of-Flight Mass Spectrometry

DTIC Science & Technology

2010-01-26

mass range of the experiment. For pulsed ionization techniques including laser-based methods such as MALDI(Tanaka, Waki et al. 1988), SELDI(Hutchens...18101. Stryer, L. (1978). "Fluorescence Energy Transfer as a Spectroscopic Ruler." Annual Review of Biochemistry 47(n: 819-846. Tanaka, K., H. Waki , et

Positive effects of bio-nano Pd (0) toward direct electron transfer in Pseudomona putida and phenol biodegradation.

PubMed

Niu, Zhuyu; Jia, Yating; Chen, Yuancai; Hu, Yongyou; Chen, Junfeng; Lv, Yuancai

2018-06-08

This study constructed a biological-inorganic hybrid system including Pseudomonas putida (P. putida) and bioreduced Pd (0) nanoparticles (NPs), and inspected the influence of bio-nano Pd (0) on the direct electron transfer and phenol biodegradation. Scanning electron microscopy and energy-dispersive X-ray spectroscopy (SEM-EDX) showed that bio-nano Pd (0) (~10 nm) were evenly dispersed on the surface and in the periplasm of P. putida. With the incorporation of bio-nano Pd (0), the redox currents of bacteria in the cyclic voltammetry (CV) became higher and the oxidation current increased as the addition of lactate, while the highest increase rates of two electron transfer system (ETS) rates were 63.97% and 33.79%, respectively. These results indicated that bio-nano Pd (0) could directly promote the electron transfer of P. putida. In phenol biodegradation process, P. putida-Pd (0)- 2 showed the highest k (0.2992 h -1 ), μ m (0.035 h -1 ) and K i (714.29 mg/L) and the lowest apparent K s (76.39 mg/L). The results of kinetic analysis indicated that bio-nano Pd (0) markedly enhanced the biocatalytic efficiency, substrate affinity and the growth of cells compared to native P. putida. The positive effects of bio-nano Pd (0) to the electron transfer of P. putida would promote the biodegradation of phenol. Copyright © 2018 Elsevier Inc. All rights reserved.

Age differences in spatial working memory contributions to visuomotor adaptation and transfer

PubMed Central

Langan, Jeanne; Seidler, Rachael. D.

2011-01-01

Throughout our life span we encounter challenges that require us to adapt to the demands of our changing environment; this entails learning new skills. Two primary components of motor skill learning are motor acquisition, the initial process of learning the skill, and motor transfer, when learning a new skill is benefitted by the overlap with a previously learned one. Older adults typically exhibit declines in motor acquisition compared to young adults, but remarkably, do not demonstrate deficits in motor transfer (Seidler, 2007). Our recent work demonstrates that a failure to engage spatial working memory (SWM) is associated with skill learning deficits in older adults (Anguera et al., 2011). Here, we investigate the role that SWM plays in both motor learning and transfer in young and older adults. Both age groups exhibited performance savings, or positive transfer, at transfer of learning for some performance variables. Measures of spatial working memory performance and reaction time correlated with both motor learning and transfer for young adults. Young adults recruited overlapping brain regions in prefrontal, premotor, parietal and occipital cortex for performance of a SWM and a visuomotor adaptation task, most notably during motor learning, replicating our prior findings (Anguera et al., 2010). Neural overlap between the SWM task and visuomotor adaptation for the older adults was limited to parietal cortex, with minimal changes from motor learning to transfer. Combined, these results suggest that age differences in engagement of cognitive strategies have a differential impact on motor learning and transfer. PMID:21784106

Placental alterations in structure and function in intra-uterine growth-retarded horses.

PubMed

Robles, M; Peugnet, P M; Valentino, S A; Dubois, C; Dahirel, M; Aubrière, M-C; Reigner, F; Serteyn, D; Wimel, L; Couturier-Tarrade, A; Chavatte-Palmer, P

2018-05-01

Following embryo transfer (ET), the size and breed of the recipient mare can affect fetal development and subsequent post natal growth rate and insulin sensitivity in foals. To investigate placental adaptation in pregnancies where increased or restricted fetal growth was induced through ET between Pony, Saddlebred and Draught horses. In vivo experiment. Control Pony (P, n = 21) and Saddlebred (S, n = 28) pregnancies were obtained by artificial insemination. Increased pregnancies were obtained by transferring Pony (P-D, n = 6) and Saddlebred (S-D, n = 8) embryos into Draught mares. Restricted pregnancies were obtained by transferring Saddlebred embryos into Pony mares (S-P, n = 6). Placental weight and surface were recorded and samples collected for stereology and analysis of expression of genes involved in placental growth, vascularisation and nutrient transport. Data were analysed by linear model. S-P foals were growth retarded when compared with controls despite increased gestational length. Placental weight was reduced but placental surface density and volume fraction were increased. Placental expression of genes involved in growth and development and nutrient transfer was strongly reduced. In contrast, placental size and weight were increased in enhanced growth P-D and S-D foals. The trophoblastic surface density and the allantoic vessels surface density were decreased in P-D and S-D, respectively, both with very few modifications in gene expression. Control embryos were produced by artificial insemination whereas experimental embryos were produced by ET. Placental structure and gene expression are modified after ET into a smaller or larger breed than that of the embryo. These adaptations contribute to the observed phenotype of foal growth restriction or enhanced growth at birth. © 2017 EVJ Ltd.

Modeling of Mastcam Visible/Near-Infrared Spectrophotometric Observations at Yellowknife Bay

NASA Astrophysics Data System (ADS)

Johnson, J. R.; Bell, J. F., III; Hayes, A.; Liang, W.; Lemmon, M. T.; Grundy, W. M.; Deen, R. G.

2017-12-01

The Mastcam M-34 imaging system on the Curiosity rover has acquired multispectral images (445, 527, 751, 1012 nm) at multiple times of day at several locations along the traverse, sampling a variety of terrain types [1-4]. The light scattering properties of rocks and soils can be examined quantitatively using radiative transfer models with data extracted from these images [5-7], with the goals of providing information useful for understanding microphysical processes, atmospheric models, and orbital observations. Navcam stereo images also were acquired to compute surface normals and local incidence and emission angles. These can be combined with sky models to correct for diffuse reflectance on individual surface facets prior to photometric modeling. Here we model data sets acquired on Sols 171-184 while the rover was parked at the John Klein drill site in Yellowknife Bay [2]. Regions of interest were extracted from M-34 images on soils, rocks with variable dust cover, and rover tracks to provide data sets with sufficient phase angle coverage to allow Hapke radiative transfer modeling of each unit. Preliminary model results performed without the atmospheric correction showed rover tracks exhibited 1-term Henyey-Greenstein (HG) asymmetry parameter values consistent with more forward scattering surfaces compared to rocks. The 2-term HG scattering parameters (b and c) suggested that soils and dusty rocks were more backscattering than less dusty rocks, consistent with results from the MER Spirit site [5]. Preliminary single-scattering albedo values for soils varied from 0.38 (445 nm) to 0.87 (1012 nm); less dusty rocks varied from 0.59 (445 nm) to 0.81 (1012 nm). Macroscopic roughness values showed larger values for less dusty rocks (17-22˚). Opposition effect width (h) values implied higher porosity (or less uniform grain size distributions) in rocks than soils. Model results presented at the meeting will incorporate sky models. Future work will include additional Mastcam data sets. [1] Johnson, J., et al., LPSC, 44, abstract #1374, 2013;[2] Johnson, J., et al. 8th Int. Conf. Mars, #1073, 2014; [3] Johnson, J., et al., LPSC, #1424, 2015; [4] Johnson, J., et al., AGU, #P43B-2125 2015; [5] Johnson, J., et al., JGR, 111, E02S14, 2006; [6] Johnson, J., et al. JGR, 111, E12S16, 2006; [7] Johnson, J. et al., Icarus, 248, 25-71, 2015.

Electrochemical variational study of donor/acceptor orbital mixing and electronic coupling in cyanide-bridged mixed-valence complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, Yuhuua; Hupp, J.T.

1992-07-08

Cyanide-bridged mixed-valence complexes are interesting examples of strongly covalently linked redox systems which, nevertheless, exist in valence-localized form. As mixed-valence species, they display fairly intense intervalence (or metal-to-metal) charge-transfer transitions ([epsilon] [approx] 3000 M[sup [minus]1] cm[sup [minus]1]), which tend to be shifted toward the visible region from the near-infrared on account of substantial redox asymmetry. The authors have recently succeeded in obtaining (by femtosecond transient absorbance spectroscopy) a direct measure of the thermal kinetics (k[sub ET]) of the highly exothermic back-electron-transfer reaction which follows intervalence excitation in one of these complexes, (H[sub 3]N)[sub 5]Ru-NC-Fe(CN)[sub 5][sup [minus

Air bubble migration is a random event post embryo transfer.

PubMed

Confino, E; Zhang, J; Risquez, F

2007-06-01

Air bubble location following embryo transfer (ET) is the presumable placement spot of embryos. The purpose of this study was to document endometrial air bubble position and migration following embryo transfer. Multicenter prospective case study. Eighty-eight embryo transfers were performed under abdominal ultrasound guidance in two countries by two authors. A single or double air bubble was loaded with the embryos using a soft, coaxial, end opened catheters. The embryos were slowly injected 10-20 mm from the fundus. Air bubble position was recorded immediately, 30 minutes later and when the patient stood up. Bubble marker location analysis revealed a random distribution without visible gravity effect when the patients stood up. The bubble markers demonstrated splitting, moving in all directions and dispersion. Air bubbles move and split frequently post ET with the patient in the horizontal position, suggestive of active uterine contractions. Bubble migration analysis supports a rather random movement of the bubbles and possibly the embryos. Standing up changed somewhat bubble configuration and distribution in the uterine cavity. Gravity related bubble motion was uncommon, suggesting that horizontal rest post ET may not be necessary. This report challenges the common belief that a very accurate ultrasound guided embryo placement is mandatory. The very random bubble movement observed in this two-center study suggests that a large "window" of embryo placement maybe present.

Creative and algorithmic mathematical reasoning: effects of transfer-appropriate processing and effortful struggle

NASA Astrophysics Data System (ADS)

Jonsson, Bert; Kulaksiz, Yagmur C.; Lithner, Johan

2016-11-01

Two separate studies, Jonsson et al. (J. Math Behav. 2014;36: 20-32) and Karlsson Wirebring et al. (Trends Neurosci Educ. 2015;4(1-2):6-14), showed that learning mathematics using creative mathematical reasoning and constructing their own solution methods can be more efficient than if students use algorithmic reasoning and are given the solution procedures. It was argued that effortful struggle was the key that explained this difference. It was also argued that the results could not be explained by the effects of transfer-appropriate processing, although this was not empirically investigated. This study evaluated the hypotheses of transfer-appropriate processing and effortful struggle in relation to the specific characteristics associated with algorithmic reasoning task and creative mathematical reasoning task. In a between-subjects design, upper-secondary students were matched according to their working memory capacity.

Simple protocols for oblivious transfer and secure identification in the noisy-quantum-storage model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schaffner, Christian

2010-09-15

We present simple protocols for oblivious transfer and password-based identification which are secure against general attacks in the noisy-quantum-storage model as defined in R. Koenig, S. Wehner, and J. Wullschleger [e-print arXiv:0906.1030]. We argue that a technical tool from Koenig et al. suffices to prove security of the known protocols. Whereas the more involved protocol for oblivious transfer from Koenig et al. requires less noise in storage to achieve security, our ''canonical'' protocols have the advantage of being simpler to implement and the security error is easier control. Therefore, our protocols yield higher OT rates for many realistic noise parameters.more » Furthermore, a proof of security of a direct protocol for password-based identification against general noisy-quantum-storage attacks is given.« less

Electron transfer catalysis with monolayer protected Au25 clusters

NASA Astrophysics Data System (ADS)

Antonello, Sabrina; Hesari, Mahdi; Polo, Federico; Maran, Flavio

2012-08-01

Au25L18 (L = S(CH2)2Ph) clusters were prepared and characterized. The resulting monodisperse clusters were reacted with bis(pentafluorobenzoyl) peroxide in dichloromethane to form Au25L18+ quantitatively. The kinetics and thermodynamics of the corresponding electron transfer (ET) reactions were characterized via electrochemistry and thermochemical calculations. Au25L18+ was used in homogeneous redox catalysis experiments with a series of sym-substituted benzoyl peroxides, including the above peroxide, bis(para-cyanobenzoyl) peroxide, dibenzoyl peroxide, and bis(para-methoxybenzoyl) peroxide. Peroxide dissociative ET was catalyzed using both the Au25L18/Au25L18- and the Au25L18+/Au25L18 redox couples as redox mediators. Simulation of the CV curves led to determination of the ET rate constant (kET) values for concerted dissociative ET to the peroxides. The ET free energy ΔG° could be estimated for all donor-acceptor combinations, leading to observation of a nice activation-driving force (log kETvs. ΔG°) relationship. Comparison with the kET obtained using a ferrocene-type donor with a formal potential similar to that of Au25L18/Au25L18- showed that the presence of the capping monolayer affects the ET rate rather significantly, which is attributed to the intrinsic nonadiabaticity of peroxide acceptors.Au25L18 (L = S(CH2)2Ph) clusters were prepared and characterized. The resulting monodisperse clusters were reacted with bis(pentafluorobenzoyl) peroxide in dichloromethane to form Au25L18+ quantitatively. The kinetics and thermodynamics of the corresponding electron transfer (ET) reactions were characterized via electrochemistry and thermochemical calculations. Au25L18+ was used in homogeneous redox catalysis experiments with a series of sym-substituted benzoyl peroxides, including the above peroxide, bis(para-cyanobenzoyl) peroxide, dibenzoyl peroxide, and bis(para-methoxybenzoyl) peroxide. Peroxide dissociative ET was catalyzed using both the Au25L18/Au25L18- and the Au25L18+/Au25L18 redox couples as redox mediators. Simulation of the CV curves led to determination of the ET rate constant (kET) values for concerted dissociative ET to the peroxides. The ET free energy ΔG° could be estimated for all donor-acceptor combinations, leading to observation of a nice activation-driving force (log kETvs. ΔG°) relationship. Comparison with the kET obtained using a ferrocene-type donor with a formal potential similar to that of Au25L18/Au25L18- showed that the presence of the capping monolayer affects the ET rate rather significantly, which is attributed to the intrinsic nonadiabaticity of peroxide acceptors. This article was submitted as part of a Themed Issue on metallic clusters. Other papers on this topic can be found in issue 14 of vol. 4 (2012). This issue can be found from the Nanoscale homepage [http://www.rsc.org/nanoscale].

Observation and simulation of heterogeneous 2D water and solute flow processes in ditch beds for subsequent catchment modelling

NASA Astrophysics Data System (ADS)

Dages, Cecile; Samouelian, Anatja; Lanoix, Marthe; Dollinger, Jeanne; Chakkour, Sara; Chovelon, Gabrielle; Trabelsi, Khouloud; Voltz, Marc

2015-04-01

Ditches are involved in the transfer of pesticide to surface and groundwaters (e.g. Louchart et al., 2001). Soil horizons underlying ditch beds may present specific soil characteristics compared to neighbouring field soils due to erosion/deposition processes, to the specific biological activities (rooting dynamic and animal habitat) in the ditches (e.g. Vaughan et al., 2008) and to management practices (burning, dredging, mowing,...). Moreover, in contrast to percolation processes in field soils that can be assumed to be mainly 1D vertical, those occurring in the ditch beds are by essence 2D or even 3D. Nevertheless, due to a lake of knowledge, these specific aspects of transfer within ditch beds are generally omitted for hydrological simulation at the catchment scale (Mottes et al., 2014). Accordingly, the aims of this study were i) to characterize subsurface solute transfer through ditch beds and ii) to determine equivalent hydraulic parameters of the ditch beds for use in catchment scale hydrological simulations. A complementary aim was to evaluate the error in predictions performed when percolation in ditches is assumed to be similar to that in the neighbouring field soil. First, bromide transfer experiments were performed on undisturbed soil column (15 cm long with a 15 cm inner-diameter), horizontally and vertically sampled within each soil horizon underlying a ditch bed and within the neighboring field. Columns were sampled at the Roujan catchment (Hérault, France), which belongs to the long term Mediterranean hydrological observatory OMERE (Voltz and Albergel, 2002). Second, for each column, a set of parameters was determined by inverse optimization with mobile-immobile or dual permeability models, with CXTFIT (Toride et al., 1999) or with HYDRUS (Simunek et al., 1998). Third, infiltration and percolation in the ditch was simulated by a 2D flow domain approach considering the 2D variation in hydraulic properties of the cross section of a ditch bed. Last, equivalent 1D simulation parameters were seeked for mimicking the 2D infiltration intensities and patterns. The results obtained are presented and discussed based on the consistency of the simulated hydrograms, chemograms and seasonal solute losses during a series of intense infiltration events representing a typical Mediterranean climatic sequence in autumn. Mottes C., Lesueur-Jannoyer M., Le Bail M., Malézieux E., 2014. Pesticide transfer models in crop and watershed systems: a review. Agron. Sustain. Dev 34:229-250. Louchart, X., Voltz, M., Andrieux, P. and Moussa, R., 2001. Herbicide Transport to Surface Waters at Field and Watershed Scales in a Mediterranean Vineyard Area. J Environ Qual 30 (3): 982-991. Vaughan RE, Needelman BA, Kleinman PJA, Rabenhorst MC (2008) Morphology and Characterization of Ditch Soils at an Atlantic Coastal Plain Farm. Soil Sci. Soc. Am. J. 72:660. doi:10.2136/sssaj2006.0102 Simlnek, J., Šejna, M., van Genuchten, M.Th., 1998. The HYDRUS-1D software package for simulating the one-dimensional movement of water, heat, and multiple solutes in variably-saturated media. Version 2.0, IGWMC-TPS-70. International Ground Water Modeling Center, Colorado School of Mines, Golden, Colorado. 202 pp Toride, N., Leij, F.J., van Genuchten, M.T., 1999. The CXTFIT code for estimating transport parameters from laboratory or field tracer experiments. Version 2.1. US Salinity Laboratory, Agricultural Research Service US Department of Agriculture, Riverside, California, Research Report, vol. 137. Voltz M., et Albergel, J. 2002. OMERE : Observatoire Méditerranéen de l'Environnement Rural et de l'Eau - Impact des actions anthropiques sur les transferts de masse dans les hydrosystémes méditerranéens ruraux. Proposition d'Observatoire de Recherche en Environnement

77 FR 75679 - Submission for OMB Review; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-21

... et seq.). Rule 17Ad-13 requires an annual study and evaluation of internal accounting controls under... transfer agents to obtain an annual report on the adequacy of their internal accounting controls from an... service only their own companies' securities. Approximately 150 independent, professional transfer agents...

Electron-Transfer Dynamics for a Donor-Bridge-Acceptor Complex in Ionic Liquids.

PubMed

DeVine, Jessalyn A; Labib, Marena; Harries, Megan E; Rached, Rouba Abdel Malak; Issa, Joseph; Wishart, James F; Castner, Edward W

2015-08-27

Intramolecular photoinduced electron transfer from an N,N-dimethyl-p-phenylenediamine donor bridged by a diproline spacer to a coumarin 343 acceptor was studied using time-resolved fluorescence measurements in three ionic liquids and in acetonitrile. The three ionic liquids have the bis[(trifluoromethyl)sulfonyl]amide anion paired with the tributylmethylammonium, 1-butyl-1-methylpyrrolidinium, and 1-decyl-1-methylpyrrolidinium cations. The dynamics in the two-proline donor-bridge-acceptor complex are compared to those observed for the same donor and acceptor connected by a single proline bridge, studied previously by Lee et al. (J. Phys. Chem. C 2012, 116, 5197). The increased conformational freedom afforded by the second bridging proline resulted in multiple energetically accessible conformations. The multiple conformations have significant variations in donor-acceptor electronic coupling, leading to dynamics that include both adiabatic and nonadiabatic contributions. In common with the single-proline bridged complex, the intramolecular electron transfer in the two-proline system was found to be in the Marcus inverted regime.

Crown-To-Rhizosphere Carbon Transfer In A Temperate Mixed Forest

NASA Astrophysics Data System (ADS)

Siegwolf, R. T.; Steinmann, K.; Saurer, M.; Koerner, C.

2005-12-01

Flux measurements across a range of (managed) European forests showed that ecosystem respiration amounts up to 80 percent of gross primary production (Janssens et al. 2001), the rest is in large sequestered into biomass. According to Malhi et al. (1999) soil respiration accounts for 60-70 percent of total forest ecosystem respiration. A considerable part is released as CO2 via belowground plant component (autotrophic) and soil micro-organism (heterotrophic) respiration. Recent studies on the autotrophic and heterotrophic respiratory fluxes indicate that the proportion of the autotrophic respiration was most likely underestimated (Hoegberg et al, 2001). Furthermore, highly diverging lengths of time have been estimated between the synthesis of carbohydrates and their availability in the rhizosphere. The goal of the presented study was to i) estimate the transport time for new photosynthates from the leaves to the rhizosphere, ii) determine the spatial distribution of these products, and iii) detect a seasonal course in the autotrophic and heterotrophic respiration of freshly formed assimilates. This study was carried out in a temperate mixed forest (The Swiss Canopy Crane Project in Hofstetten near Basel, Switzerland, cf. Pepin and Koerner 2002, Koerner et al, 2005), exposed to an elevated mean CO2 concentration of 530 ppm. The added CO2 originated from fossil fuel combustion and was depleted in 13C, thus serving as an ideal tracer. Based on the isotopic signature of the soil CO2 it was shown that freshly assimilated carbohydrates were transferred to the rhizosphere within ca. 5 days. The spatial variability was considerable and could mostly be explained with the varying tree population, whereas, the broad-leafed area revealed a more negative d13C value than the conifers. A distinct seasonal course in soil ?13C of the CO2 concentration indicated a seasonal variation in the crown-to-rhizosphere carbon transfer Steinmann et al (2004). Hoegberg P, et al. (2001) Large-scale forest girdling shows that current photosynthesis drives soil respiration. Nature, 411 (6839): 789-792. Pepin, S and Koerner C (2002). Web-FACE: a new canopy free-air CO2 enrichment system for tall trees in mature forests. Oecologia 133(1): 1-9. Janssens IA et al (2001) Productivity overshadows temperature in determining soil and ecosystem respiration across European forests. Global Change Biol 7:269-278 Malhi Y, Baldocchi DD, Jarvis PG (1999) The carbon balance of tropical, temperate and boreal forests. Plant Cell Environ 22:715-740 Koerner C, Asshoff R., Bignucolo O, Haettenschwiler S., Keel SG., Pela'ez-Riedl S., Pepin S, Siegwolf RTW., Zotz G. (2005). Carbon Flux and Growth in Mature Deciduous Forest Trees Exposed to Elevated CO2. Science, Vol. 309/Nr. 5739, pp. 1360-1362. Steinmann K., Siegwolf RTW, Saurer M., Koerner C. (2004) Carbon fluxes to the soil in a mature temperate forest assessed by 13C isotope tracing. Oecologia 141: 489-501

KSC-2010-4921

NASA Image and Video Library

2010-09-29

CAPE CANAVERAL, Fla. -- At NASA’s Kennedy Space Center in Florida, External Fuel Tank-122 is lifted high over the transfer aisle of the Vehicle Assembly Building during operations to transfer it into a test cell. ET-122, the Space Shuttle Program's last external fuel tank was delivered to Kennedy's Turn Basin from NASA’s Michoud Assembly Facility in New Orleans aboard the Pegasus Barge. After testing, ET-122 eventually will be attached to space shuttle Endeavour for the STS-134 mission to the International Space Station targeted to launch February, 2011. For more information visit: http://www.nasa.gov/mission_pages/shuttle/shuttlemissions/sts134/index.html. Photo credit: NASA/Dimitri Gerondidakis

Effect of viscosity on photoinduced electron transfer reaction: An observation of the Marcus inverted region in homogeneous solvents

NASA Astrophysics Data System (ADS)

Saini, Rajesh Kumar; Kuchlyan, Jagannath; Sarkar, Nilmoni

2016-09-01

The viscosity effect of homogeneous solvents on the dynamics of photoinduced electron transfer (PET) reaction among the coumarins and N,N-dimethylaniline (DMA) is investigated using steady-state and time-resolved fluorescence spectroscopy. A bell shape Marcus inversion in the ET rates has been detected in the plot of ET rate constant (kq) with free energy change (ΔG0) in viscous solvents decanol and EG, but it is not observed in DMSO like low viscous solvent. We have also reported that there is no complex formation between the coumarin dye and DMA molecule by using fluorescence correlation spectroscopy.

Shortening gametes co-incubation time improves live birth rate for couples with a history of fragmented embryos.

PubMed

Le Bras, Anne; Hesters, Laetitia; Gallot, Vanessa; Tallet, Cathie; Tachdjian, Gerard; Frydman, Nelly

2017-10-01

Short gamete co-incubation (SGCO) consists in decreasing the duration of contact between oocytes and sperm from the standard overnight insemination (SOI) toward 2 hours. However, the effectiveness of this technique to improve in vitro fertilization and embryo transfer (IVF-ET) outcomes remains controversial. Our study was designed to evaluate the efficiency of SGCO in a poor prognosis population with a history of fragmented embryos defined by the presence of at least 50% of the embryos with more than 25% of cytoplasmic fragments. From January 2010 to January 2014, 97 couples were included in a SGCO protocol. We separated women into 2 subgroups: younger and older than 35 years. Compared to SOI, after SGCO, 2-cell stage embryos were higher in all women (p<0.001) and less fragmented in women over 35 years (p<0.05). On day 2, top quality embryos obtained and transferred were higher with SCGO than with SOI, independently of the age of the women (p<0.001). Moreover, the number of embryos with less than 25% of fragmentation was higher after SGCO than SOI (p<0.001) whereas the number of multinucleated embryos was lower (p<0.001). We observed that after fresh ET, independently of the age of the women, the clinical pregnancy rate was 3 times higher after SGCO than after SOI. However, the live-birth rate was 4 times higher with SGCO than with SOI in women above 35 years but 3 times higher with SGCO than with SOI in women younger than 35 years. The present results indicate that for a particular indication, reducing the time of oocytes and sperm co-incubation may improve IVF-ET outcomes in terms of live-birth rate. AMH: anti mullerian hormone; COC: cumulus-oocytes complex; E2: estradiol; ET: embryo transfer; FET: frozen embryo transfer; FSH: follicle stimulating hormone; GnRH: gonadotrophin releasing hormone; hCG: human chorionic gonadotropin hormone; hMG: human menopausal gonadotropin hormone; IRB: institutional review board; IVF: in vitro fertilization; IVF-ET: in vitro fertilization and embryo transfer; MNB: multinucleated blastomere; mRNA: messanger ribonucleic acid; OC: oocyte retrieval; O2: oxygen; ROS: reactive oxygen species; SGCO: short gamete co-incubation; SOI: standard overnight insemination.

Modeling dioxygen reduction at multicopper oxidase cathodes.

PubMed

Agbo, Peter; Heath, James R; Gray, Harry B

2014-10-01

We report a general kinetics model for catalytic dioxygen reduction on multicopper oxidase (MCO) cathodes. Our rate equation combines Butler-Volmer (BV) electrode kinetics and the Michaelis-Menten (MM) formalism for enzymatic catalysis, with the BV model accounting for interfacial electron transfer (ET) between the electrode surface and the MCO type 1 copper site. Extending the principles of MM kinetics to this system produced an analytical expression incorporating the effects of subsequent intramolecular ET and dioxygen binding to the trinuclear copper cluster into the cumulative model. We employed experimental electrochemical data on Thermus thermophilus laccase as benchmarks to validate our model, which we suggest will aid in the design of more efficient MCO cathodes. In addition, we demonstrate the model's utility in determining estimates for both the electronic coupling and average distance between the laccase type-1 active site and the cathode substrate.

HBOI Underwater Imaging and Communication Research - Phase 1

DTIC Science & Technology

2012-04-19

validation of one-way pulse stretching radiative transfer code The objective was to develop and validate time-resolved radiative transfer models that...and validation of one-way pulse stretching radiative transfer code The models were subjected to a series of validation experiments over 12.5 meter...about the theoretical basis of the model together with validation results can be found in Dalgleish et al., (20 1 0). Forward scattering Mueller

Theoretical Treatment of Ion Transfers in Two Polarizable Interface Systems When the Analyte Has Access to Both Interfaces.

PubMed

Olmos, José Manuel; Molina, Ángela; Laborda, Eduardo; Millán-Barrios, Enrique; Ortuño, Joaquín Ángel

2018-02-06

A new theory is presented to tackle the study of transfer processes of hydrophilic ions in two polarizable interface systems when the analyte is initially present in both aqueous phases. The treatment is applied to macrointerfaces (linear diffusion) and microholes (highly convergent diffusion), obtaining analytical equations for the current response in any voltammetric technique. The novel equations predict two signals in the current-potential curves that are symmetric when the compositions of the aqueous phases are identical while asymmetries appear otherwise. The theoretical results show good agreement with the experimental behavior of the "double transfer voltammograms" reported by Dryfe et al. in cyclic voltammetry (CV) ( Anal. Chem. 2014 , 86 , 435 - 442 ) as well as with cyclic square wave voltammetry (cSWV) experiments performed in the current work. The theoretical treatment is also extended to the situation where the target ion is lipophilic and initially present in the organic phase. The theory predicts an opposite effect of the lipophilicity of the ion on the shape of the voltammograms, which is validated experimentally via both CV and cSWV. For the above two cases, simple and manageable expressions and diagnosis criteria are derived for the qualitative and quantitative study of ion lipophilicity. The ion-transfer potentials can be easily quantified from the separation between the two signals making use of explicit analytical equations.

Microfluidic droplet-based liquid-liquid extraction.

PubMed

Mary, Pascaline; Studer, Vincent; Tabeling, Patrick

2008-04-15

We study microfluidic systems in which mass exchanges take place between moving water droplets, formed on-chip, and an external phase (octanol). Here, no chemical reaction takes place, and the mass exchanges are driven by a contrast in chemical potential between the dispersed and continuous phases. We analyze the case where the microfluidic droplets, occupying the entire width of the channel, extract a solute-fluorescein-from the external phase (extraction) and the opposite case, where droplets reject a solute-rhodamine-into the external phase (purification). Four flow configurations are investigated, based on straight or zigzag microchannels. Additionally to the experimental work, we performed two-dimensional numerical simulations. In the experiments, we analyze the influence of different parameters on the process (channel dimensions, fluid viscosities, flow rates, drop size, droplet spacing, ...). Several regimes are singled out. In agreement with the mass transfer theory of Young et al. (Young, W.; Pumir, A.; Pomeau, Y. Phys. Fluids A 1989, 1, 462), we find that, after a short transient, the amount of matter transferred across the droplet interface grows as the square root of time and the time it takes for the transfer process to be completed decreases as Pe-2/3, where Pe is the Peclet number based on droplet velocity and radius. The numerical simulation is found in excellent consistency with the experiment. In practice, the transfer time ranges between a fraction and a few seconds, which is much faster than conventional systems.

Electrotransfer of Plasmid Vector DNA into Muscle

NASA Astrophysics Data System (ADS)

Miyazaki, Satsuki; Miyazaki, Jun-Ichi

Wolff et al. (1990) first reported that plasmid DNA injected into skeletal muscle is taken up by muscle cells and the genes in the plasmid are expressed for more than two months thereafter, although the transfected DNA does not usually undergo chromosomal integration (Wolff et al., 1991, 1992). However, the relatively low expression levels attained by this method have hampered its applications for uses other than as a DNA vaccine (Davis et al., 1995). There are a number of reports analyzing the conditions that affect the efficiency of gene transfer by intramuscular DNA injection and assessing the fine structures of expression plasmid vectors that may affect expression levels (Davis et al., 1993; Liang et al., 1996; Norman et al., 1997). Furthermore, various attempts were done to improve the efficiency of gene transfer by intramus cular DNA injection. Consequently, regenerating muscle was shown to produce 80-fold or more protein than did normal muscle, following injection of an expression plas-mid. Muscle regeneration was induced by treatment with cardiotoxin or bupivacaine (Wells, 1993; Vitadello et al., 1994). We previously demonstrated that by combining a strong promoter and bupivacaine pretreatment intramuscular injection of an IL-5 expression plasmid results in IL-5 production in muscle at a level sufficient to induce marked proliferation of eosinophils in the bone marrow and eosinophil infiltration of various organs (Tokui et al., 1997). It was also reported that a single intramuscular injection of an erythropoietin expression plasmid produced physiologically significant elevations in serum erythropoietin levels and increased hematocrits in adult mice (Tripathy et al., 1996). Hematocrits in these animals remained elevated at >60% for at least 90 days after a single injection. However, improvements to this method have not been sufficient to extend its applications including clinical use.

Electrotactile stimulation on the tongue: intensity perception, discrimination and cross-modality estimation

PubMed Central

Lozano, Cecil A.; Kaczmarek, Kurt A.; Santello, Marco

2010-01-01

Due to its high sensitivity and conductivity, electrotactile stimulation (ETS) on the tongue has proven to be a useful and technically convenient tool to substitute and/or augment sensory capabilities. However, most of its applications have only provided spatial attributes and little is known about (a) the ability of the tongue's sensory system to process electrical stimuli of varying magnitudes and (b) how modulation of ETS intensity affects subjects' ability to decode stimulus intensity. We addressed these questions by quantifying: (1) the magnitude of the dynamic range (DR; maximal comfortable intensity/perception threshold) and its sensitivity to prolonged exposure; (2) subjects' ability to perceive intensity changes; and (3) subjects' ability to associate intensity with angular excursions of a protractor's handle. We found that the average DR (17 dB) was generally large in comparison with other tactile loci and of a relatively constant magnitude among subjects, even after prolonged exposure, despite a slight but significant upward drift (P < 0.001). Additionally, our results showed that as stimulus intensity increased, subjects' ability to discriminate ETS stimuli of different intensities improved (P < 0.05) while estimation accuracy, in general, slightly decreased (increasing underestimation). These results suggest that higher ETS intensity may increase recruitment of rapidly adapting mechanoreceptor fibers, as these are specialized for coding stimulus differences rather than absolute intensities. Furthermore, our study revealed that the tongue's sensory system can effectively convey electrical stimuli despite minimal practice and when information transfer is limited by memory and DR drift. PMID:19697262

Investigating the surface and subsurface properties of the Didymos binary asteroid with a landed CubeSat

NASA Astrophysics Data System (ADS)

Murdoch, Naomi; Cadu, Alexandre; Mimoun, David; Karatekin, Ozgur; Garcia, Raphael; Carrasco, José; Garcia de Quiros, Javier; Vasseur, Hugues; Ritter, Birgit; Eubanks, Marshall; Radley, Charles; Dehant, Veronique

2016-04-01

Despite the successes of recent space missions (e.g., Cheng et al., 1997; Fujiwara et al., 2006), there is still no clear understanding of the asteroid internal structure(s). Depending on their size, evolution and physical properties, many different asteroid internal structure models have been suggested from completely cohesive bodies, through to rubble pile objects. The Asteroid Geophysical Explorer (AGEX), a COPINS payload selected by ESA*, will land geophysical instrument packages on the surface of Didymoon; the secondary object in the (65803) Didymos (1996 GT) binary system (Karatekin et al 2016). The instruments will characterize the asteroid surface mechanical properties and probe, for the first time, the sub-surface structure of an asteroid. AGEX will be deployed from AIM on a ballistic transfer to the asteroid surface, several days before the MASCOT-2 package. We expect that AGEX will bounce multiple times before coming to rest on the surface of the asteroid thus providing a unique opportunity to study the asteroid surface properties, perhaps at several locations, using accelerometers. Once stationary, the seismological surface-monitoring phase, using a three-axis set of geophones, can begin. The high speed DART impact will be a major seismic source on Didymoon. However, the seismic payload may also be able to perform seismological investigations using natural seismic sources such as micrometeoroid impacts (e.g., Garcia et al., 2015), thermal cracks (e.g., Delbo et al., 2014), internal quakes due to tidal forces (e.g., Richardson et al. 1998) and other geophysical processes (see Murdoch et al., 2015). We will present the expected signal characteristics of the landing and also of the natural seismic sources that may occur on Didymoon. An understanding of the amplitude and frequency content of such signals is necessary in order to design the optimal geophysical payload for small body exploration using a CubeSat platform. [1.] Cheng, A. et al., Journal of Geophysical Research, 102, E10 (1997) [2.] Delbo, M., et al., Nature, 508, 233-236 (2014) [3.] Fujiwara, A. et al., Science 312, 1330 (2006) [4.] Garcia, R. F. et al., Icarus, 253, 159-168 (2015) [5.] Murdoch, N. et al., ASTEROIDS IV, University of Arizona Press Space Science Series, edited by P. Michel, F. DeMeo and W. Bottke, (2015) [6.] Richardson, D.C. et al., Icarus, 134, 47-79 (1998) [7.] Karatekin et al., The Asteroid Geophysical Explorer (AGEX); Proposal to explore the Didymos System using Cubesats, EGU (2016) *http://www.esa.int/Our_Activities/Space_Engineering_Technology/Asteroid_Impact_Mission/ CubeSat_companions_for_ESA_s_asteroid_mission

Does Environmental Enrichment Exposure Prior to Injury Influence Biomarkers Associated with Chronic Stage TBI?

DTIC Science & Technology

2012-12-01

release; distribution unlimited. 88 ABW/PA Cleared 03/25/2013; 88ABW-2013-1398. enrichment (Grundy et al., 2000; Kohara et al., 2001). BDNF is an...learning and Memory. 69(3):274-289 Kohara , K., Kitamura, A., Morishima, M., Tsumoto, T. (2001). Activity- dependent transfer of brain-derived

Direct Measurement of Charge Regulation in Metalloprotein Electron Transfer.

PubMed

Zahler, Collin T; Zhou, Hongyu; Abdolvahabi, Alireza; Holden, Rebecca L; Rasouli, Sanaz; Tao, Peng; Shaw, Bryan F

2018-05-04

Determining whether a protein regulates its net electrostatic charge during electron transfer (ET) will deepen our mechanistic understanding of how polypeptides tune rates and free energies of ET (e.g., by affecting reorganization energy, and/or redox potential). Charge regulation during ET has never been measured for proteins because few tools exist to measure the net charge of a folded protein in solution at different oxidation states. Herein, we used a niche analytical tool (protein charge ladders analyzed with capillary electrophoresis) to determine that the net charges of myoglobin, cytochrome c, and azurin change by 0.62±0.06, 1.19±0.02, and 0.51±0.04 units upon single ET. Computational analysis predicts that these fluctuations in charge arise from changes in the pK a  values of multiple non-coordinating residues (predominantly histidine) that involve between 0.42-0.90 eV. These results suggest that ionizable residues can tune the reactivity of redox centers by regulating the net charge of the entire protein-cofactor-solvent complex. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of RWHet to Simulate Contaminant Transport in Fractured Porous Media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yong; LaBolle, Eric; Reeves, Donald M

2012-07-01

Accurate simulation of matrix diffusion in regional-scale dual-porosity and dual-permeability media is a critical issue for the DOE Underground Test Area (UGTA) program, given the prevalence of fractured geologic media on the Nevada National Security Site (NNSS). Contaminant transport through regional-scale fractured media is typically quantified by particle-tracking based Lagrangian solvers through the inclusion of dual-domain mass transfer algorithms that probabilistically determine particle transfer between fractures and unfractured matrix blocks. UGTA applications include a wide variety of fracture aperture and spacing, effective diffusion coefficients ranging four orders of magnitude, and extreme end member retardation values. This report incorporates the currentmore » dual-domain mass transfer algorithms into the well-known particle tracking code RWHet [LaBolle, 2006], and then tests and evaluates the updated code. We also develop and test a direct numerical simulation (DNS) approach to replace the classical transfer probability method in characterizing particle dynamics across the fracture/matrix interface. The final goal of this work is to implement the algorithm identified as most efficient and effective into RWHet, so that an accurate and computationally efficient software suite can be built for dual-porosity/dual-permeability applications. RWHet is a mature Lagrangian transport simulator with a substantial user-base that has undergone significant development and model validation. In this report, we also substantially tested the capability of RWHet in simulating passive and reactive tracer transport through regional-scale, heterogeneous media. Four dual-domain mass transfer methodologies were considered in this work. We first developed the empirical transfer probability approach proposed by Liu et al. [2000], and coded it into RWHet. The particle transfer probability from one continuum to the other is proportional to the ratio of the mass entering the other continuum to the mass in the current continuum. Numerical examples show that this method is limited to certain ranges of parameters, due to an intrinsic assumption of an equilibrium concentration profile in the matrix blocks in building the transfer probability. Subsequently, this method fails in describing mass transfer for parameter combinations that violate this assumption, including small diffusion coefficients (i.e., the free-water molecular diffusion coefficient 1×10-11 meter2/second), relatively large fracture spacings (such as meter), and/or relatively large matrix retardation coefficients (i.e., ). These “outliers” in parameter range are common in UGTA applications. To address the above limitations, we then developed a Direct Numerical Simulation (DNS)-Reflective method. The novel DNS-Reflective method can directly track the particle dynamics across the fracture/matrix interface using a random walk, without any empirical assumptions. This advantage should make the DNS-Reflective method feasible for a wide range of parameters. Numerical tests of the DNS-Reflective, however, show that the method is computationally very demanding, since the time step must be very small to resolve particle transfer between fractures and matrix blocks. To improve the computational efficiency of the DNS approach, we then adopted Roubinet et al.’s method [2009], which uses first passage time distributions to simulate dual-domain mass transfer. The DNS-Roubinet method was found to be computationally more efficient than the DNS-Reflective method. It matches the analytical solution for the whole range of major parameters (including diffusion coefficient and fracture aperture values that are considered “outliers” for Liu et al.’s transfer probability method [2000]) for a single fracture system. The DNS-Roubinet method, however, has its own disadvantage: for a parallel fracture system, the truncation of the first passage time distribution creates apparent errors when the fracture spacing is small, and thus it tends to erroneously predict breakthrough curves (BTCs) for the parallel fracture system. Finally, we adopted the transient range approach proposed by Pan and Bodvarsson [2002] in RWHet. In this method, particle transfer between fractures and matrix blocks can be resolved without using very small time steps. It does not use any truncation of the first passage time distribution for particles. Hence it does not have the limitation identified above for the DNS-Reflective method and the DNS-Roubinet method. Numerical results were checked against analytical solutions, and also compared to DCPTV2.0 [Pan, 2002]. This version of RWHet (called RWHet-Pan&Bodvarsson in this report) can accurately capture contaminant transport in fractured porous media for a full range of parameters without any practical or theoretical limitations.« less

The intrauterine environment affects learning ability of Tokai high avoider rat offspring derived using cryopreservation and embryo transfer-mediated reproduction.

PubMed

Endo, Hitoshi; Eto, Tomoo; Yoshii, Fumihito; Owada, Satoshi; Watanabe, Tetsu; Tatemichi, Masayuki; Kimura, Minoru

2017-07-22

Embryo transfer (ET) to recipient female animals is a useful technique in biological and experimental animal studies. While cryopreservation of two-cell stage rat embryos and ET to recipient rats are currently well-defined, it is unknown whether these artificial reproductive techniques and maternal factors affect offspring phenotype, particularly higher brain functions. Therefore, we assessed the effects of cryopreservation, ET, and maternal care on learning behaviour of the offspring, using Tokai high avoider (THA) rats that have a high learning ability phenotype. We found that the high learning ability of THA rat offspring was not replicated following ET to surrogate Wistar rats with a low-avoidance phenotype. Additionally, the characteristic phenotype of offspring obtained through mating of ET-derived rats was similar to that of THA rats. A postnatal cross-fostering investigation with the offspring of Wistar and THA rats showed that maternal behaviour, including postnatal care and lactation traits, did not differ between the dams of low-avoidance Wistar rats and THA rats; therefore, learning behaviour was retained in both Wistar and THA rat offspring. We conclude that the offspring phenotype, although unchanged, has an imperceptible effect on the learning ability of ET-derived THA rats through the intrauterine environment of the recipient. Copyright © 2017 Elsevier Inc. All rights reserved.

HITRAN Application Programming Interface (hapi): Extending HITRAN Capabilities

NASA Astrophysics Data System (ADS)

Kochanov, Roman V.; Gordon, Iouli E.; Rothman, Laurence S.; Wcislo, Piotr; Hill, Christian; Wilzewski, Jonas

2016-06-01

In this talk we present an update on the HITRAN Application Programming Interface (HAPI). HAPI is a free Python library providing a flexible set of tools to work with the most up-to-date spectroscopic data provided by HITRANonline (www.hitran.org) HAPI gives access to the spectroscopic parameters which are continuously being added to HITRANonline. For instance, these include non-Voigt profile parameters, foreign broadenings and shifts, and line mixing. HAPI enables more accurate spectra calculations for the spectroscopic and astrophysical applications requiring the detailed modeling of the broadener. HAPI implements an expert algorithm for the line profile selection for a single-layer radiative transfer calculation, and can be extended by custom line profiles and algorithms of their calculations, partition sums, instrumental functions, and temperature and pressure dependences. Possible HAPI applications include spectroscopic data validation and analysis as well as radiative-transfer calculations, experiment verification and spectroscopic code benchmarking. Kochanov RV, Gordon IE, et al. Submitted to JQSRT HighRus Special Issue 2016 Kochanov RV, Hill C, et al. ISMS 2015. http://hdl.handle.net/2142/79241 Hill C, Gordon IE, et al. Accepted to JQSRT HighRus Special Issue 2016. Wcislo P, Gordon IE, et al. Accepted to JQSRT HighRus Special Issue 2016. Wilzewski JS, Gordon IE, et al. JQSRT 2016;168:193-206. Kochanov RV, Gordon IE, et al. Clim Past 2015;11:1097-105.

High yield of secondary B-side electron transfer in mutant Rhodobacter capsulatus reaction centers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kressel, Lucas; Faries, Kaitlyn M.; Wander, Marc J.

2014-08-01

From the crystal structures of reaction centers (RCs) from purple photosynthetic bacteria, two pathways for electron transfer (ET) are apparent but only one pathway (the A side) operates in the native protein-cofactor complex. Partial activation of the B-side pathway has unveiled the true inefficiencies of ET processes on that side in comparison to analogous reactions on the A side. Of significance are the relative rate constants for forward ET and the competing charge recombination reactions. On the B side, these rate constants are nearly equal for the secondary charge-separation step (ET from bacteriopheophytin to quinone), relegating the yield of thismore » process to < 50%. Herein we report efforts to optimize this step. In surveying all possible residues at position 131 in the M subunit, we discovered that when glutamic acid replaces the native valine the efficiency of the secondary ET is nearly two-fold higher than in the wild-type RC. The positive effect of M131 Glu is likely due to formation of a hydrogen bond with the ring V keto group of the B-side bacteriopheophytin leading to stabilization of the charge-separated state involving this cofactor. In conclusion, this change slows charge recombination by roughly a factor of two and affords the improved yield of the desired forward ET to the B-side quinone terminal acceptor.« less

Impact of sub-horizontal discontinuities and vertical heterogeneities on recharge processes in a weathered crystalline aquifer in southern India

NASA Astrophysics Data System (ADS)

Nicolas, Madeleine; Selles, Adrien; Bour, Olivier; Maréchal, Jean-Christophe; Crenner, Marion; Wajiduddin, Mohammed; Ahmed, Shakeel

2017-04-01

In the face of increasing demands for irrigated agriculture, many states in India are facing water scarcity issues, leading to severe groundwater depletion. Because perennial water resources in southern India consist mainly of crystalline aquifers, understanding how recharge takes place and the role of preferential flow zones in such heterogeneous media is of prime importance for successful and sustainable aquifer management. Here we investigate how vertical heterogeneities and highly transmissive sub-horizontal discontinuities may control groundwater flows and recharge dynamics. Recharge processes in the vadose zone were examined by analysing the propagation of an infiltration front and mass transfers resulting from the implementation of a managed aquifer recharge (MAR) structure. Said structure was set up in the Experimental Hydrogeological Park in Telangana (Southern India), a well-equipped and continuously monitored site, which is periodically supplied with surface water deviated from the nearby Musi river, downstream of Hyderabad. An initial volume balance equation was applied to quantify the overall inputs from the MAR structure into the groundwater system, which was confirmed using a chloride mass balance approach. To understand how this incoming mass is then distributed within the aquifer, we monitored the evolution of water volumes in the tank, and the resulting lateral propagation front observed in the surrounding borehole network. Borehole logs of temperature and conductivity were regularly performed to identify preferential flow paths. As a result we observed that mass transfers take place in the way of preferential lateral flow through the most transmissive zones of the profile. These include the interface between the lower portion of the upper weathered horizon (the saprolite) and the upper part of the underlying fissured granite, as well as the first flowing fractures. This leads to a rapid lateral transfer of recharge, which allows quick replenishment of aquifers but may have severe implications regarding groundwater quality, whether contaminants originate from diffuse sources (such as fertilizers), or a localized injection of polluted surface water. These findings confirm previous studies about the non-linear behaviour of hard rock aquifers (Guihéneuf et al., 2014) and recharge processes (Boisson et al., 2015; Alazard et al., 2015). Depending on water level conditions, the aquifer shifts from a regional flow system (when superficial more connected and weathered levels are saturated), to independent local flow systems (when only the lower lesser fractured portion is saturated). Thus recharge seems to be controlled by the existence of (i) vertical heterogeneities within the unsaturated zone and (ii) highly transmissive sub-horizontal discontinuities, both of which controlling groundwater flows and recharge dynamics.

Bidirectional Transfer between Metaphorical Related Domains in Implicit Learning of Form-Meaning Connections

PubMed Central

Yang, Zhiliang; Dienes, Zoltan

2013-01-01

People can implicitly learn a connection between linguistic forms and meanings, for example between specific determiners (e.g. this, that…) and the type of nouns to which they apply. Li et al (2013) recently found that transfer of form-meaning connections from a concrete domain (height) to an abstract domain (power) was achieved in a metaphor-consistent way without awareness, showing that unconscious knowledge can be abstract and flexibly deployed. The current study aims to determine whether people transfer knowledge of form-meaning connections not only from a concrete domain to an abstract one, but also vice versa, consistent with metaphor representation being bi-directional. With a similar paradigm as used by Li et al, participants learnt form- meaning connections of different domains (concrete vs. abstract) and then were tested on two kinds of generalizations (same and different domain generalization). As predicted, transfer of form-meaning connections occurred bidirectionally when structural knowledge was unconscious. Moreover, the present study also revealed that more transfer occurred between metaphorically related domains when judgment knowledge was conscious (intuition) rather than unconscious (guess). Conscious and unconscious judgment knowledge may have different functional properties. PMID:23844159

Energy transfer and drag reduction in elasto-inertial turbulence laden with elongated contravariant and covariant polymers

NASA Astrophysics Data System (ADS)

Horiuti, Kiyosi

2015-11-01

We study elongation and energy-transfer process of polymers released in the homogeneous isotropic turbulence by connecting mesoscopic Brownian description of elastic dumbbells to macroscopic description for the solvent (DNS). The dumbbells are allowed to be advected either affinely with the macroscopically-imposed deformation (contravariant) or completely non-affinely (covariant). We consider the elasto-inertial regime in which the relaxation time of polymer is in the order of the eddy turnover time. Highly-elongated contravariant polymers remove more energy from the large scales than they can dissipate and transfer the excess energy back into the solvent as in P.C. Valente et al. (2014). By deriving the approximate solution of the constitutive equation for the polymer stress (Horiuti et al. 2013), we identified the term responsible for causing this transfer. The skewness of the strain-rate tensor (SikSklSli) in the elastic energy production term transfer the elastic energy back into the smallest scale of the solvent and increase the dissipation. In the covariant polymers, this trend is reversed and leads to enhancement of drag reduction, in accordance with the hypothesis that stretched polymers may behave like rods and exhibit rigidity (de Gennes 1986).

Bayesian Atmospheric Radiative Transfer (BART) Code and Application to WASP-43b

NASA Astrophysics Data System (ADS)

Blecic, Jasmina; Harrington, Joseph; Cubillos, Patricio; Bowman, Oliver; Rojo, Patricio; Stemm, Madison; Lust, Nathaniel B.; Challener, Ryan; Foster, Austin James; Foster, Andrew S.; Blumenthal, Sarah D.; Bruce, Dylan

2016-01-01

We present a new open-source Bayesian radiative-transfer framework, Bayesian Atmospheric Radiative Transfer (BART, https://github.com/exosports/BART), and its application to WASP-43b. BART initializes a model for the atmospheric retrieval calculation, generates thousands of theoretical model spectra using parametrized pressure and temperature profiles and line-by-line radiative-transfer calculation, and employs a statistical package to compare the models with the observations. It consists of three self-sufficient modules available to the community under the reproducible-research license, the Thermochemical Equilibrium Abundances module (TEA, https://github.com/dzesmin/TEA, Blecic et al. 2015}, the radiative-transfer module (Transit, https://github.com/exosports/transit), and the Multi-core Markov-chain Monte Carlo statistical module (MCcubed, https://github.com/pcubillos/MCcubed, Cubillos et al. 2015). We applied BART on all available WASP-43b secondary eclipse data from the space- and ground-based observations constraining the temperature-pressure profile and molecular abundances of the dayside atmosphere of WASP-43b. This work was supported by NASA Planetary Atmospheres grant NNX12AI69G and NASA Astrophysics Data Analysis Program grant NNX13AF38G. JB holds a NASA Earth and Space Science Fellowship.

The effect of intrinsic attenuation correction methods on the stationarity of the 3-D modulation transfer function of SPECT.

PubMed

Glick, S J; Hawkins, W G; King, M A; Penney, B C; Soares, E J; Byrne, C L

1992-01-01

The application of stationary restoration techniques to SPECT images assumes that the modulation transfer function (MTF) of the imaging system is shift invariant. It was hypothesized that using intrinsic attenuation correction (i.e., methods which explicitly invert the exponential radon transform) would yield a three-dimensional (3-D) MTF which varies less with position within the transverse slices than the combined conjugate view two-dimensional (2-D) MTF varies with depth. Thus the assumption of shift invariance would become less of an approximation for 3-D post- than for 2-D pre-reconstruction restoration filtering. SPECT acquisitions were obtained from point sources located at various positions in three differently shaped, water-filled phantoms. The data were reconstructed with intrinsic attenuation correction, and 3-D MTFs were calculated. Four different intrinsic attenuation correction methods were compared: (1) exponentially weighted backprojection, (2) a modified exponentially weighted backprojection as described by Tanaka et al. [Phys. Med. Biol. 29, 1489-1500 (1984)], (3) a Fourier domain technique as described by Bellini et al. [IEEE Trans. ASSP 27, 213-218 (1979)], and (4) the circular harmonic transform (CHT) method as described by Hawkins et al. [IEEE Trans. Med. Imag. 7, 135-148 (1988)]. The dependence of the 3-D MTF obtained with these methods, on point source location within an attenuator, and on shape of the attenuator, was studied. These 3-D MTFs were compared to: (1) those MTFs obtained with no attenuation correction, and (2) the depth dependence of the arithmetic mean combined conjugate view 2-D MTFs.(ABSTRACT TRUNCATED AT 250 WORDS)

Rarefied gas dynamic simulation of transfer and escape in the Pluto-Charon system

NASA Astrophysics Data System (ADS)

Hoey, William A.; Yeoh, Seng Keat; Trafton, Laurence M.; Goldstein, David B.; Varghese, Philip L.

2017-05-01

We apply the direct simulation Monte Carlo rarefied gas dynamic technique to simulations of Pluto's rarefied upper atmosphere motivated by the need to better understand New Horizons (NH) data. We present a novel three-dimensional DSMC model of the atmosphere that spans from several hundred km below the exobase - where continuum flow transitions to the rarefied regime - to fully free-molecular flow hundreds of thousands of km from Pluto's center. We find molecular collisions in Pluto's upper atmosphere to be significant in shaping the flowfield, both by promoting flux from the plutonian exobase to Charon and by increasing the proportion of that flux generated on the exobase's anti-Charon hemisphere. Our model accounts for the gravitational fields of both Pluto and Charon, the centripetal and Coriolis forces due to the rotation of Pluto in our reference frame, and the presence of Charon as a temporary sink for impacting particles. Using this model, we analyze the escape processes of N2 and CH4 from Pluto across different solar heating conditions, and evaluate the three-dimensional structure of the upper plutonian atmosphere, including gas transfer to and deposition on Charon. We find results consistent with the NH-determined escape rate, upper atmospheric temperature, and lack of a detectable Charon atmosphere. Gas-transfer structures are noted in a binary atmospheric configuration, including preferential deposition of material from Pluto's escaping atmosphere onto Charon's leading hemisphere that peaks at 315° E on the equator. As the moon gravitationally focuses incident flow, a high density structure forms in its wake. If molecules are permitted to escape from Charon in diffuse reflections from its surface, a returning flux forms to Pluto's exobase, preferentially directed toward its trailing hemisphere. Charon is capable of supporting a thin atmosphere at column densities as high as 1.5 × 1017 m-2 in simulations with a plutonian exobase condition similar to the NH encounter. Results computed from a fit to the NH encounter exobase (Gladstone et al., 2016) predict a system escape rate of 7 × 1025 CH4 s-1 in close agreement with those reported by NH (Bagenal et al., 2016; Gladstone et al., 2016), and a net depositional flux to Charon of 2 × 1024 s-1, of which ∼98% is methane.

Optical second harmonic spectroscopy of silicon-adsorbate surfaces and silicon nanocrystals

NASA Astrophysics Data System (ADS)

Downer, Michael

2002-03-01

Second harmonic generation (SHG) provides a surface-specific, noninvasive probe of adsorbates. However, microscopic first-principles theory of adsorbate-specific spectroscopic SHG responses has proven elusive. Here we present experimental SHG spectra for six well-characterized, technologically important Si(001) surfaces in ultrahigh vacuum (UHV): clean Si(001)-2x1 and Si(001) terminated with hydrogen (H), [1] germanium (Ge), Ge and H, [2] boron (B) and B and H. [3] Each adsorbate (combination) alters SHG uniquely. Our microscopic theories based on ab initio pseudopotential or semi-empirical tight-binding (SETB) methods then explain observed trends, and predict new features in unexplored spectral regions. [3,4] Charge transfer among surface bonds is found to govern SHG spectroscopy of surface-adsorbate systems strongly. New results on SHG from Si nanocrystals embedded in SiO2 will also be presented. [5] SHG is sensitive to Si/SiO2 interface states, electrostatic charge on the nanocrystals, and macroscopic particle density gradients. Finally, a new frequency-domain interferometric second-harmonic (FDISH) spectroscopic technique to measure simultaneously the intensity and phase of SH radiation over a broad spectral range without laser tuning will be described. [6] 1. J. Dadap et al., Phys. Rev. B 56, 13367 (1997). 2. P. Parkinson et al., Appl. Phys. B 68, 641 (1999). 3. D. Lim et al., Phys. Rev. Lett. 84, 3406 (2000); Appl. Phys. Lett. 77, 181 (2000). 4. V. Gavrilenko et al., Phys. Rev. B 63, 1653 (2001); M. C. Downer et al., Surf. Interface Anal. 31, 966 (2001); M. C. Downer et al., phys. stat. sol. (a), in press (2001). 5. Y. Jiang et al., Appl. Phys. Lett. 78, 766 (2001). 6. P. T. Wilson et al., Opt. Lett. 24, 496 (1999).

[Health consequences of passive smoking].

PubMed

Haustein, K O

2001-06-01

Environmental tobacco smoking (ETS) represents a main risk factor for the generation of diseases of the respiratory tract and of the cardiovascular system in spite of statements to the contrary. ETS enhances the risk of lung cancer by a factor of 2-3. Newborn and small children (< 2 years of life) are at high risk if they live within this period of time in a household exposed to maternal more than fraternal smoking. Endothelial cells of the blood vessels are damaged as early as during the first month of life of passive smoking children, and these defects can be detected during the first decade of life. ETS over a period of more than ten years changes the intima/media ratio by enhancing the thickness of the vessel wall. Additionally, poor health behaviour is seen in households of smokers because the behaviour of the parents is transferred to that of their children, and this behaviour is the starting point of further health risks and damages. The presented data should cause a call for primary smoking prevention preferably among children and young persons on the one hand, and the organisation of programs against ETS at the workplace and in public buildings, as well as in the private house on the other hand. Non-smokers must be informed about the risks and dangers of ETS more than it is the case up to now.

Administration of Luteinizing Hormone Releasing Hormone Agonist for Synchronization of Estrus and Generation of Pseudopregnancy for Embryo Transfer in Rats

PubMed Central

Borjeson, Tiffany M; Pang, Jassia; Fox, James G; García, Alexis

2014-01-01

In the past decade, the use of genetically engineered rats has increased exponentially; therefore, the ability to perform embryo transfer (ET) in rats to rederive, reanimate, or create mutant rat lines is increasingly important. However, the successful generation of pseudopregnant female rats for ET represents a limiting factor. We here evaluated the subcutaneous administration of 40 µg luteinizing hormone releasing hormone agonist (LHRHa) for estrus synchronization during the development and implementation of a rat ET program. Our first experiment assessed endogenous estrus cycling patterns by examining vaginal cytology without administration of LHRHa in 5-wk-old peripubertal Sprague–Dawley female rats. These rats then received LHRHa at approximately 7 wk of age; 57% of the rats were synchronized in proestrus or estrus as assessed by vaginal cytology 96 h later. In a second experiment, 8-wk-old virgin, unmanipulated Sprague–Dawley female rats received LHRHa; 55% were synchronized in proestrus or estrus 96 h later. Copulatory plugs were confirmed in 28% and 82% of the rats that had been synchronized in the first and second experiments, respectively, and mated with vasectomized male rats. Embryo transfer surgery was performed, and live pups were born from both fresh and cryopreserved transgenic rat embryos. Our results indicate that subcutaneous administration of 40 µg LHRHa followed by examination of vaginal cytology 96 h later is an effective technique to generate multiple pseudopregnant recipient rats for use in an ET program. PMID:24827564

Coupled sensitizer-catalyst dyads: electron-transfer reactions in a perylene-polyoxometalate conjugate.

PubMed

Odobel, Fabrice; Séverac, Marjorie; Pellegrin, Yann; Blart, Errol; Fosse, Céline; Cannizzo, Caroline; Mayer, Cédric R; Elliott, Kristopher J; Harriman, Anthony

2009-01-01

Ultrafast discharge of a single-electron capacitor: A variety of intramolecular electron-transfer reactions are apparent for polyoxometalates functionalized with covalently attached perylene monoimide chromophores, but these are restricted to single-electron events. (et=electron transfer, cr=charge recombination, csr=charge-shift reaction, PER=perylene, POM=polyoxometalate).A new strategy is introduced that permits covalent attachment of an organic chromophore to a polyoxometalate (POM) cluster. Two examples are reported that differ according to the nature of the anchoring group and the flexibility of the linker. Both POMs are functionalized with perylene monoimide units, which function as photon collectors and form a relatively long-lived charge-transfer state under illumination. They are reduced to a stable pi-radical anion by electrolysis or to a protonated dianion under photolysis in the presence of aqueous triethanolamine. The presence of the POM opens up an intramolecular electron-transfer route by which the charge-transfer state reduces the POM. The rate of this process depends on the molecular conformation and appears to involve through-space interactions. Prior reduction of the POM leads to efficient fluorescence quenching, again due to intramolecular electron transfer. In most cases, it is difficult to resolve the electron-transfer products because of relatively fast reverse charge shift that occurs within a closed conformer. Although the POM can store multiple electrons, it has not proved possible to use these systems as molecular-scale capacitors because of efficient electron transfer from the one-electron-reduced POM to the excited singlet state of the perylene monoimide.

Comparison of GLONASS and GPS Time Transfers Between Two West European Time Laboratories and VNIIFTRI

DTIC Science & Technology

1991-12-01

COMPARISON OF GLONASS AND GPS TIME TRANSFERS BETWEEN TWO WEST EUROPEAN TIME LABORATORIES AND VNIIFTRI P. Daly Department of Electronic and...Radiotechnical Measurements - VNIIFTRI Mendeleevo, Moscow region, 141570, USSR and W. Lewandowski, G. Petit, C. Thomas Bureau International des Poids et...00-1991 to 00-00-1991 4. TITLE AND SUBTITLE Comparison of GLONASS and GPS Time Transfers Between Two West European Time Laboratories and VNIIFTRI

DNA Replication During Conjugal Transfer of R1162

DTIC Science & Technology

2002-01-01

transport out of the cell. This idea is stimulated by the similarity between the intermediates of single-stranded phage DNA replication and conjugative...the tra gene clusters ( Miele et al., 1991). The protein is not required for replication of the plasmid, and it seems to be dispensable for transfer...donor, in order to reattach to the transport mechanism prior to the start of a new round of transfer. Rolling circle replication itself might also be

Energy Transfer Processes in (Lu,Gd)AlO3:Ce

DTIC Science & Technology

2001-01-01

studies on energy transfer processes in Ce-activated Lu, Y and Gd aluminum perovskite crystals that contribute to production of scintillation light in...LuAIO3, GdA10 3, cerium, scintillators, VUV spectroscopy, luminescence, time profiles, energy transfer 1. INTRODUCTION The yttrium aluminum perovskite...The Czochralski-grown monocrystals of LuAP:Ce were first evaluated in a garnet -free perovskite phase by Lempicki et al. in 1994 .4 More detailed

Lattice-mediated magnetic order melting in TbMnO3

NASA Astrophysics Data System (ADS)

Baldini, Edoardo; Kubacka, Teresa; Mallett, Benjamin P. P.; Ma, Chao; Koohpayeh, Seyed M.; Zhu, Yimei; Bernhard, Christian; Johnson, Steven L.; Carbone, Fabrizio

2018-03-01

Recent ultrafast magnetic-sensitive measurements [Johnson et al., Phys. Rev. B 92, 184429 (2015), 10.1103/PhysRevB.92.184429; Bothschafter et al., Phys. Rev. B 96, 184414 (2017), 10.1103/PhysRevB.96.184414] have revealed a delayed melting of the long-range cycloid spin order in TbMnO3 following photoexcitation across the fundamental Mott-Hubbard gap. The microscopic mechanism behind this slow transfer of energy from the photoexcited carriers to the spin degrees of freedom is still elusive and not understood. Here, we address this problem by combining spectroscopic ellipsometry, ultrafast broadband optical spectroscopy, and ab initio calculations. Upon photoexcitation, we observe the emergence of a complex collective response, which is due to high-energy coherent optical phonons coupled to the out-of-equilibrium charge density. This response precedes the magnetic order melting and is interpreted as the fingerprint of the formation of anti-Jahn-Teller polarons. We propose that the charge localization in a long-lived self-trapped state hinders the emission of magnons and other spin-flip mechanisms, causing the energy transfer from the charge to the spin system to be mediated by the reorganization of the lattice. Furthermore, we provide evidence for the coherent excitation of a phonon mode associated with the ferroelectric phase transition.

Long-term records of global radiation, carbon and water fluxes derived from multi-satellite data and a process-based model

NASA Astrophysics Data System (ADS)

Ryu, Youngryel; Jiang, Chongya

2016-04-01

To gain insights about the underlying impacts of global climate change on terrestrial ecosystem fluxes, we present a long-term (1982-2015) global radiation, carbon and water fluxes products by integrating multi-satellite data with a process-based model, the Breathing Earth System Simulator (BESS). BESS is a coupled processed model that integrates radiative transfer in the atmosphere and canopy, photosynthesis (GPP), and evapotranspiration (ET). BESS was designed most sensitive to the variables that can be quantified reliably, fully taking advantages of remote sensing atmospheric and land products. Originally, BESS entirely relied on MODIS as input variables to produce global GPP and ET during the MODIS era. This study extends the work to provide a series of long-term products from 1982 to 2015 by incorporating AVHRR data. In addition to GPP and ET, more land surface processes related datasets are mapped to facilitate the discovery of the ecological variations and changes. The CLARA-A1 cloud property datasets, the TOMS aerosol datasets, along with the GLASS land surface albedo datasets, were input to a look-up table derived from an atmospheric radiative transfer model to produce direct and diffuse components of visible and near infrared radiation datasets. Theses radiation components together with the LAI3g datasets and the GLASS land surface albedo datasets, were used to calculate absorbed radiation through a clumping corrected two-stream canopy radiative transfer model. ECMWF ERA interim air temperature data were downscaled by using ALP-II land surface temperature dataset and a region-dependent regression model. The spatial and seasonal variations of CO2 concentration were accounted by OCO-2 datasets, whereas NOAA's global CO2 growth rates data were used to describe interannual variations. All these remote sensing based datasets are used to run the BESS. Daily fluxes in 1/12 degree were computed and then aggregated to half-month interval to match with the spatial-temporal resolution of LAI3g dataset. The BESS GPP and ET products were compared to other independent datasets including MPI-BGC and CLM. Overall, the BESS products show good agreement with the other two datasets, indicating a compelling potential for bridging remote sensing and land surface models.

Radiative and convective heating during Venus entry.

NASA Technical Reports Server (NTRS)

Page, W. A.; Woodward, H. T.

1972-01-01

Determination of the stagnation region heating of probes entering the Venusian atmosphere. Both convective and radiative heat-transfer rates are predicted, and account is taken of the important effects of radiative transport in the vehicle shock layer. A nongray radiative transport model is utilized which parallels a four-band treatment previously developed for air (Page et al., 1969), but includes two additional bands to account for the important CO(4+) molecular band system. Some comparisons are made between results for Venus entry and results for earth entry obtained using a viscous earth entry program.

An Analysis of the Materiel Fielding Plan for the SINCGARS (Single Channel Ground and Airborne Radio System) Radio.

DTIC Science & Technology

1984-12-01

34 sexy " topic. It is easy to see why personnel involved in the fielding for SINCGARS would not be interested in this area. However, the impact of a poor...1986 1987 1988 1989 1990 TRADOC XXXXXX FT. HOOD XXXXXXXXXXX KOREA XXXXXXX USAREUR XXXXXXXXwwwww? IIIIIIIII KEY: SINCGARS Fielded XXX IFTE Fielded III...Dou Circuiar--N-./UU- XXX . 10. U.S Department of Defense, Instructions for Materiel Fielding/Transfer, DoD Pamphl et 700-xx (Dra-t). 11. U.S

Charge Compensation and Electrostatic Transferability in Three Entropy Stabilized Oxides: Results from Density Functional Theory Calculations

DTIC Science & Technology

2016-09-06

displacements from ideal lattice sites, along with reduction of a few Co and Ni cations. Addition of Li to J14 reduces the lattice constant, consistent...associated with the atoms as well as in displacements of atoms from their ideal lattice sites. II. SYNTHESIS OF THE J141Sc COMPOSITION Berardan et al...Plotted in Figure 6 are the average atom displacements for the three large systems as a function of element type. For J14 (open bars), the dis

A DFT study on NHC-catalyzed intramolecular aldehyde-ketone crossed-benzoin reaction: mechanism, regioselectivity, stereoselectivity, and role of NHC.

PubMed

Zhang, Wei; Wang, Yang; Wei, Donghui; Tang, Mingsheng; Zhu, Xinju

2016-07-06

A systematic theoretical study has been carried out to understand the mechanism and stereoselectivity of N-heterocyclic carbene (NHC)-catalyzed intramolecular crossed-benzoin reaction of enolizable keto-aldehyde using density functional theory (DFT) calculations. The calculated results reveal that the most favorable pathway contains four steps, i.e., the nucleophilic attack of NHC on the carbonyl carbon atom of a formyl group, the formation of a Breslow intermediate, a ring-closure process coupled with proton transfer, and regeneration of the catalyst. For the formation of the Breslow intermediate via the [1,2]-proton transfer process, apart from the direct proton transfer mechanism, the base Et3N and the in situ generated Brønsted acid Et3N·H(+) mediated proton transfer mechanisms have also been investigated; the free energy barriers for the crucial proton transfer steps are found to be significantly lowered by explicit inclusion of the Brønsted acid Et3N·H(+). The computational results show that the ring-closure process is the stereoselectivity-determining step, in which two chirality centers assigned on the coupling carbon atoms are formed, and the S-configured diastereomer is the predominant product, which is in good agreement with the experimental observations. NCI and NBO analyses are employed to disclose the origin of stereoselectivity and regioselectivity. Moreover, a global reaction index (GRI) analysis has been performed to confirm that NHC mainly plays the role of a Lewis base. The mechanistic insights obtained in the present study should be valuable for the rational design of an effective organocatalyst for this kind of reaction with high stereoselectivity and regioselectivity.

Use of Two-Way Time Transfer Measurements to Improve Geostationary Satellite Navigation

DTIC Science & Technology

2007-03-01

lo ck E rro r ( m et er s...clock measurement blackouts. 2 4 6 8 10 12 14 16 18 20 22 -100 -50 0 50 100 GEO Clock Bias Error Time (hours) C lo ck E rro r ( m et er s...20 GEO Clock Bias Error Time (hours) C lo ck E rro r ( m et er s) Filter-Computed Covariance 0 5 10 15 20 -20 -15 -10 -5 0 5 10 15 20 GEO

A contribution to the fauna of raspy crickets (orthoptera: gryllacrididae: gryllacridinae) in Korea.

PubMed

Taewoo, Kim; Byeongmin, Jeong; Jaeil, Shim

2014-12-19

The little known raspy cricket subfamily Gryllacridinae is reviewed for Korea. Three species are confirmed through material examination and are taxonomically considered as follows: Eugryllacris japonica (Matsumura et Shiraki, 1908) comb. nov. is transferred from Prosopogryllacris japonica (Matsumura et Shiraki, 1908), Nippancistroger testaceus (Matsumura et Shiraki, 1908) has a newly proposed junior synonym Nippancistroger koreanus Storozhenko & Paik, 2003 syn. nov., and Metriogryllacris tigris sp. nov. is newly described from the far southern Yeoseo-do Island. 

75 FR 70288 - Notice of Proposed Withdrawal, Transfer of Jurisdiction, and Notice of Public Meeting; California

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-17

... DEPARTMENT OF THE INTERIOR Bureau of Land Management [LLCAD06000-L14300000-ET0000; CACA 43949] Notice of Proposed Withdrawal, Transfer of Jurisdiction, and Notice of Public Meeting; California AGENCY: Bureau of Land Management, Interior. ACTION: Correction. SUMMARY: The Bureau of Land Management published...

76 FR 67473 - Notice of Proposed Withdrawal, Transfer of Jurisdiction, and Notice of Public Meeting; California

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-01

... DEPARTMENT OF THE INTERIOR Bureau of Land Management [CACA 43949, LLCA930000, L14300000.ET0000] Notice of Proposed Withdrawal, Transfer of Jurisdiction, and Notice of Public Meeting; California AGENCY: Bureau of Land Management, Interior. ACTION: Notice; Correction. SUMMARY: The Bureau of Land Management...

Teaching about Heat and Temperature Using an Investigative Demonstration

ERIC Educational Resources Information Center

Brown, Patrick

2011-01-01

One physical science topic that is difficult for middle school students is the transfer of thermal energy: Research indicates many have trouble understanding that thermal energy naturally transfers from the "warmer" object to the "colder" object until both objects reach the same temperature (Driver et al. 1994; Keeley, Eberle, and Tugel 2007).…

Live birth in a woman with recurrent implantation failure and adenomyosis following transfer of refrozen-warmed embryos.

PubMed

Safari, Somayyeh; Faramarzi, Azita; Agha-Rahimi, Azam; Khalili, Mohammad Ali

2016-09-01

The aim was to report a healthy live birth using re-vitrified-warmed cleavage-stage embryos derived from supernumerary warmed embryos after frozen embryo transfer (ET) in a patient with recurrent implantation failure (RIF). The case was a 39-year-old female with a history of polycystic ovarian syndrome and adenomyosis, along with RIF. After ovarian hyperstimulation, 33 cumulus-oocyte complexes were retrieved and fertilized with conventional in vitro fertilization and intracytoplasmic sperm injection. Because of the risk of ovarian hyperstimulation syndrome, 16 grade B and C embryos were vitrified. After 3 and 6 months, 3 and 4 B-C warmed embryos were transferred to the uterus, respectively. However, implantation did not take place. Ten months later, four embryos were warmed, two grade B 8-cell embryos were transferred, and two embryos were re-vitrified. One year later, the two re-vitrified cleavage-stage embryos were warmed, which resulted in a successful live birth. This finding showed that following first warming, it is feasible to refreeze supernumerary warmed embryos for subsequent ET in patients with a history of RIF.

Theoretical characterization of photoinduced electron transfer in rigidly linked donor-acceptor molecules: the fragment charge difference and the generalized Mulliken-Hush schemes

NASA Astrophysics Data System (ADS)

Lee, Sheng-Jui; Chen, Hung-Cheng; You, Zhi-Qiang; Liu, Kuan-Lin; Chow, Tahsin J.; Chen, I.-Chia; Hsu, Chao-Ping

2010-10-01

We calculate the electron transfer (ET) rates for a series of heptacyclo[6.6.0.02,6.03,13.014,11.05,9.010,14]-tetradecane (HCTD) linked donor-acceptor molecules. The electronic coupling factor was calculated by the fragment charge difference (FCD) [19] and the generalized Mulliken-Hush (GMH) schemes [20]. We found that the FCD is less prone to problems commonly seen in the GMH scheme, especially when the coupling values are small. For a 3-state case where the charge transfer (CT) state is coupled with two different locally excited (LE) states, we tested with the 3-state approach for the GMH scheme [30], and found that it works well with the FCD scheme. A simplified direct diagonalization based on Rust's 3-state scheme was also proposed and tested. This simplified scheme does not require a manual assignment of the states, and it yields coupling values that are largely similar to those from the full Rust's approach. The overall electron transfer (ET) coupling rates were also calculated.

Investigation of geminate recombination of radical ion pairs generated by dissociation of exciplexes in moderately polar solvents using the photoconductivity technique

NASA Astrophysics Data System (ADS)

Lukin, Leonid V.

2009-06-01

A new approach to determination of the recombination rate of radical ion pairs in moderately polar solvents is presented. It is based on an investigation of transient photocurrents caused by dissociation of exciplexes generated in photoinduced electron transfer reactions. It has been shown that the recombination rate of geminate ion pairs can be found from the photocurrent rise time. We have applied such an approach to transient photocurrents observed by Hirata et al. [Y. Hirata, Y. Kanda, N. Mataga, J. Phys. Chem. 87 (1983) 1659] for the pyrene/dicyanobenzene system in solvents of moderate polarity. The increase of the obtained recombination rate of photogenerated ions with increasing polarity of solvent testifies that ions recombine mainly by the backward electron transfer from the dicyanobenzene anions to solvent-separated cations of pyrene.

Resonant transfer excitation in collisions of F sup 6+ and Mg sup 9+ with H sub 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernstein, E.M.; Kamal, A.; Zaharakis, K.E.

1991-10-01

Experimental and theoretical investigations of resonant transfer excitation (RTE) for F{sup 6+}+H{sub 2} and Mg{sup 9+}+H{sub 2} collisions have been made. For both collision systems good agreement is obtained between the measured cross sections for {ital K}-shell x-ray emission coincident with electron-capture and theoretical RTE calculations. For F{sup 6+} the present calculations are about 10% lower than previous results of Bhalla and Karim (Phys. Rev. A 39, 6060 (1989); 41, 4097(E) (1990)); the measured cross sections are a factor of 2.3 larger than earlier measurements of Schulz {ital et} {ital al}. (Phys. Rev. A 38, 5454 (1988)). The previous disagreementmore » between experiment and theory for F{sup 6+} is removed.« less

The background is remapped across saccades.

PubMed

Cha, Oakyoon; Chong, Sang Chul

2014-02-01

Physiological studies have found that neurons prepare for impending eye movements, showing anticipatory responses to stimuli presented at the location of the post-saccadic receptive fields (RFs) (Wurtz in Vis Res 48:2070-2089, 2008). These studies proposed that visual neurons with shifting RFs prepared for the stimuli they would process after an impending saccade. Additionally, psychophysical studies have shown behavioral consequences of those anticipatory responses, including the transfer of aftereffects (Melcher in Nat Neurosci 10:903-907, 2007) and the remapping of attention (Rolfs et al. in Nat Neurosci 14:252-258, 2011). As the physiological studies proposed, the shifting RF mechanism explains the transfer of aftereffects. Recently, a new mechanism based on activation transfer via a saliency map was proposed, which accounted for the remapping of attention (Cavanagh et al. in Trends Cogn Sci 14:147-153, 2010). We hypothesized that there would be different aspects of the remapping corresponding to these different neural mechanisms. This study found that the information in the background was remapped to a similar extent as the figure, provided that the visual context remained stable. We manipulated the status of the figure and the ground in the saliency map and showed that the manipulation modulated the remapping of the figure and the ground in different ways. These results suggest that the visual system has an ability to remap the background as well as the figure, but lacks the ability to modulate the remapping of the background based on the visual context, and that different neural mechanisms might work together to maintain visual stability across saccades.

Understanding the Linkage Gap between L2 Education Researchers and Teachers

ERIC Educational Resources Information Center

Knouzi, Ibtissem; Mady, Callie

2015-01-01

This paper reports on the results of a study that analyzed second language practitioners' and researchers' on-line interactions about six published articles written by the researcher participants. The project used Lavis et al.'s (2003) knowledge transfer framework and Graham et al. (2006) knowledge to action framework as foundations to create a…

Creative and Algorithmic Mathematical Reasoning: Effects of Transfer-Appropriate Processing and Effortful Struggle

ERIC Educational Resources Information Center

Jonsson, Bert; Kulaksiz, Yagmur C.; Lithner, Johan

2016-01-01

Two separate studies, Jonsson et al. ("J. Math Behav." 2014;36: 20-32) and Karlsson Wirebring et al. ("Trends Neurosci Educ." 2015;4(1-2):6-14), showed that learning mathematics using creative mathematical reasoning and constructing their own solution methods can be more efficient than if students use algorithmic reasoning and…

Inner-Sphere Reorganization in Optical Electron Transfer.

DTIC Science & Technology

1984-03-01

systematic error on Et should not exceed *0.05 eV. Agreement between the & rG s and Et’s in Table I is as good as can be expected in view of the preceding...01.413183101 ~359/413-2 TECHNICAL REPORT DISTRIBUTION LIST, 359 Dr. David Aikens Dr. 0. H. Whitmore Chemistry Department Department of Materials

Autonomous Inter-Task Transfer in Reinforcement Learning Domains

DTIC Science & Technology

2008-08-01

Twentieth International Joint Conference on Artificial Intelli - gence, 2007. 304 Fumihide Tanaka and Masayuki Yamamura. Multitask reinforcement learning...Functions . . . . . . . . . . . . . . . . . . . . . . 17 2.2.3 Artificial Neural Networks . . . . . . . . . . . . . . . . . . . . 18 2.2.4 Instance-based...tures [Laird et al., 1986, Choi et al., 2007]. However, TL for RL tasks has only recently been gaining attention in the artificial intelligence

Toward understanding as photosynthetic biosignatures: light harvesting and energy transfer calculation

NASA Astrophysics Data System (ADS)

Komatsu, Y.; Umemura, M.; Shoji, M.; Shiraishi, K.; Kayanuma, M.; Yabana, K.

2014-03-01

Among several proposed biosignatures, red edge is a direct evidence of photosynthetic life if it is detected (Kiang et al 2007). Red edge is a sharp change in reflectance spectra of vegetation in NIR region (about 700-750 nm). The sign of red edge is observed by Earthshine or remote sensing (Wolstencroft & Raven 2002, Woolf et al 2002). But, why around 700-750 nm? The photosynthetic organisms on Earth have evolved to optimize the sunlight condition. However, if we consider about photosynthetic organism on extrasolar planets, they should have developed to utilize the spectra of its principal star. Thus, it is not strange even if it shows different vegetation spectra. In this study, we focused on the light absorption mechanism of photosynthetic organisms on Earth and investigated the fundamental properties of the light harvesting mechanisms, which is the first stage for the light absorption. Light harvesting complexes contain photosynthetic pigments like chlorophylls. Effective light absorption and the energy transfer are accomplished by the electronic excitations of collective photosynthetic pigments. In order to investigate this mechanism, we constructed an energy transfer model by using a dipole-dipole approximation for the interactions between electronic excitations. Transition moments and transition energies of each pigment are calculated at the time-dependent density functional theory (TDDFT) level (Marques & Gross 2004). Quantum dynamics simulation for the excitation energy transfer was calculated by the Liouvelle's equation. We adopted the model to purple bacteria, which has been studied experimentally and known to absorb lower energy. It is meaningful to focus on the mechanism of this bacteria, since in the future mission, M planets will become a important target. We calculated the oscillator strengths in one light harvesting complex and confirmed the validity by comparing to the experimental data. This complex is made of an inner and an outer ring. The energy transfer from the outer to the inner ring can be reproduced. To deal with a realistic system, we calculated at a macro structural model. The energy transfer between light harvesting complexes is accomplished rapidly via inner rings. By exchange the original pigment to a pigment absorb lower energy, faster energy transfer occurs and the density was trapped in pigment having lower energy. We will compare the result of purple bacteria, which is considered to show longer red edge, cyanobacteria and plants.

In situ evaluation of air-sea CO2 gas transfer velocity in an inner estuary using eddy covariance - with a special focus on the importance of using reliable CO2-fluxes

NASA Astrophysics Data System (ADS)

Jørgensen, E. T.; Sørensen, L. L.; Jensen, B.; Sejr, M. K.

2012-04-01

The air-sea exchange of CO2 or CO2 flux is driven by the difference in the partial pressure of CO2 in the water and the atmosphere (ΔpCO2), the solubility of CO2 (K0) and the gas transfer velocity (k) (Wanninkhof et al., 2009;Weiss, 1974) . ΔpCO2 and K0 are determined with relatively high precision and it is estimated that the biggest uncertainty when modelling the air-sea flux is the parameterization of k. As an example; the estimated global air-sea flux increases by 70 % when using the parameterization by Wanninkhof and McGillis (1999) instead of Wanninkhof (1992) (Rutgersson et al., 2008). In coastal areas the uncertainty is even higher and only few studies have focused on determining transfer velocity for the coastal waters and even fewer on estuaries (Borges et al., 2004;Rutgersson et al., 2008). The transfer velocity (k600) of CO2 in the inner estuary of Roskilde Fjord, Denmark was investigated using eddy covariance CO2 fluxes (ECM) and directly measured ΔpCO2 during May and June 2010. The data was strictly sorted to heighten the certainty of the results and the outcome was; DS1; using only ECM, and DS2; including the inertial dissipation method (IDM). The inner part of Roskilde Fjord showed to be a very biological active CO2 sink and preliminary results showed that the average k600 was more than 10 times higher than transfer velocities from similar studies of other coastal areas. The much higher transfer velocities were estimated to be caused by the greater fetch and shallower water in Roskilde Fjord, which indicated that turbulence in both air and water influence k600. The wind speed parameterization of k600 using DS1 showed some scatter but when including IDM the r2 of DS2 reached 0.93 with an exponential parameterization, where U10 was based on the Businger-Dyer relationships using friction velocity and atmospheric stability. This indicates that some of the uncertainties coupled with CO2 fluxes calculated by the ECM are removed when including the IDM.

Autoimmune Myocarditis, Valvulitis, and Cardiomyopathy

PubMed Central

Myers, Jennifer M.; Cunningham, Madeleine W.; Fairweather, DeLisa; Huber, Sally A.

2013-01-01

Cardiac myosin-induced autoimmune myocarditis (EAM) is a model of inflammatory heart disease initiated by CD4+ T cells (Smith and Allen 1991; Li, Heuser et al. 2004). It is a paradigm of the immune-mediated cardiac damage believed to play a role in the pathogenesis of a subset of postinfectious human cardiomyopathies (Rose, Herskowitz et al. 1993). Myocarditis is induced in susceptible mice by immunization with purified cardiac myosin (Neu, Rose et al. 1987) or specific peptides derived from cardiac myosin (Donermeyer, Beisel et al. 1995; Pummerer, Luze et al. 1996) (see Basic Protocol 1), or by adoptive transfer of myosin-reactive T cells (Smith and Allen 1991) (see Alternate Protocol). Myocarditis has been induced in Lewis rats by immunization with purified rat or porcine cardiac myosin (Kodama, Matsumoto et al. 1990; Li, Heuser et al. 2004) (see Basic Protocol 2) or S2-16 peptide (Li, Heuser et al. 2004), or by adoptive transfer of T cells stimulated by specific peptides derived from cardiac myosin (Wegmann, Zhao et al. 1994). Myocarditis begins 12 to 14 days after the first immunization, and is maximal after 21 days. Other animal models commonly used to study myocarditis development include the pathogen-induced models in which disease is initiated by viral infection. The first murine model of acute viral myocarditis causes sudden death via viral damage to cardiomyocytes (Huber, Gauntt et al. 1998; Horwitz, La Cava et al. 2000; Fong 2003; Fuse, Chan et al. 2005; Fairweather and Rose 2007; Cihakova and Rose 2008) whereas the second model is based on inoculation with heart-passaged coxsackievirus B3 (CVB3) that includes damaged heart proteins (Fairweather, Frisancho-Kiss et al. 2004; Fairweather D 2004; Fairweather and Rose 2007; Cihakova and Rose 2008) In addition to the protocols used to induce EAM in mice and rats, support protocols are included for preparing purified cardiac myosin using mouse or rat heart tissue (see Support Protocol 1), preparing purified cardiac myosin for injection (see Support Protocol 2), and collecting and assessing hearts by histopathological means (see Support Protocol 3). PMID:23564686

How compliant are in vitro fertilization member clinics in following embryo transfer guidelines? An analysis of 59,689 fresh first in vitro fertilization autologous cycles from 2011 to 2012.

PubMed

Keyhan, Sanaz; Acharya, Kelly S; Acharya, Chaitanya R; Yeh, Jason S; Provost, Meredith P; Goldfarb, James M; Muasher, Suheil J

2016-09-01

To determine whether IVF clinics are compliant with American Society for Reproductive Medicine (ASRM) and Society for Assisted Reproductive Technology (SART) (ASRM/SART) guidelines and assess the multiple pregnancy outcomes according to the number of embryos transferred. Retrospective cohort study. Not applicable. Data from 59,689 fresh first autologous IVF cycles from the 2011-2012 SART registry. None. Percentage of compliant cycles, multiple pregnancy rate (PR). Between 2011 and 2012, a total of 59,689 fresh first autologous cycles were analyzed. Among cleavage-stage ET cycles, the noncompliance rate ranged from 10%-27.4% depending on the age group. The multiple PR was significantly increased in noncompliant cycles involving patients <35 years (38.1% vs. 28.7%) and 35-37 years (35.4% vs. 24.5%) compared with compliant cycles. Among blastocyst-stage ET cycles, the highest rate of noncompliance was seen in patients <35 years old (71%), which resulted in a statistically higher multiple PR (48.3% vs. 2.8%) compared with compliant cycles. Far fewer cycles were noncompliant in patients 35-40 years of age. In a subanalysis of compliant cycles, transferring two blastocyst embryos in patients 35-37 years and 38-40 years resulted in a higher live birth rate compared with the transfer of one embryo (50.4% vs. 40.9% and 42.1% vs. 30.0%, respectively) but the multiple PR was also significantly higher (40.5% vs. 1.7% and 34.0% vs. 2.0%, respectively). Most first fresh autologous IVF cycles performed from 2011-2012 were compliant with ASRM/SART guidelines, except those that involved a blastocyst ET in patients <35 years. Despite compliance, cycles that involved the transfer of >1 embryo resulted in a high multiple PR, whereas noncompliant cycles resulted in an even more remarkable multiple PR for both cleavage and blastocyst-stage embryos. Clinics need to be more compliant with ET limits and ASRM/SART need to consider revising their guidelines to limit the number of blastocyst transfer to one in patients ≤40 years of age undergoing their first IVF cycle. Furthermore, decreasing the number of cleavage-stage embryos transferred in patients ≤40 years of age should also be considered. Copyright © 2016 American Society for Reproductive Medicine. Published by Elsevier Inc. All rights reserved.

Massage therapy improves in vitro fertilization outcome in patients undergoing blastocyst transfer in a cryo-cycle.

PubMed

Okhowat, Jasmin; Murtinger, Maximilian; Schuff, Maximilian; Wogatzky, Johannes; Spitzer, Dietmar; Vanderzwalmen, Pierre; Wirleitner, Barbara; Zech, Nicolas Herbert

2015-01-01

Massage therapy is increasingly used to relieve physical and mental discomfort and is suggested as a safe therapeutic modality, without any significant risks or any known side effects. Although a multitude of complementary therapies, such as acupuncture, are applied in reproductive medicine, no information is available with regard to the application of massage as an adjuvant therapy in assisted-reproduction techniques (ARTs). This study was intended to assess the effectiveness of a deep relaxation (andullation) therapy based on oscillating vibrations when used prior to embryo transfer (ET) in in vitro fertilization (IVF) cryo-cycles. The research team designed a retrospective, observational study. Participants willing to undergo the massage treatment were allocated to the intervention (andullation) group. The study was performed at the IVF Centers Prof. Zech-Bregenz in Bregenz, Austria. A total of 267 IVF patients, with a mean age of 36.3 y, participated in this single-center study. All patients receiving a transfer of vitrified and warmed blastocysts between January and December 2012 were included in the evaluation. Prior to ET, the andullation group received a standardized program of therapy-a 30-min, deep relaxation massage on an oscillating (vibrating) device, whereas the control group did not. To determine efficacy, the primary outcomes that the study measured were (1) pregnancy rates (PRs), by testing urine and obtaining a positive β-human chorionic gonadotropin (β-hCG); and (2) ongoing, pregnancies (oPR), by observation of fetal heartbeat and birth rates (BR) as well as miscarriage rates. The patients' medical histories and types of infertility as well as the quality of the embryo transfers (ETs) were evaluated. In patients using the massage therapy prior to ET, significantly higher PRs, oPRs, and BRs were observed compared with the control group-PR: 58.9% vs 41.7%, P<.05; oPR: 53.6% vs 33.2%, P<.01; and BR: 32.0% vs 20.3%, P<.05. No differences were detected among groups for patients' ages, hormonal substitution protocols, endometrium structures and buildups, quality of transferred embryos, or quality of transfers. No adverse effects were noted in the massage group. The research team's results suggested that andullation therapy prior to blastocyst transfer in a cryo-cycle improves embryo implantation, most likely due to a reduction in stress (ie, a relaxation effect on patients), a reduction in uterine contractions, and, probably, an enhancement of the blood flow in the abdominal region. These findings provide support for use of andullation as a complementary therapy for ART.

A Case of Unicornuate Uterus with Atypical Located Hyperstimulated Ovary after in Vitro Fertilization Pre-Embryo Transfer (IVF-ET)

PubMed Central

Angelova, Mariya Angelova; Kovachev, Emil Georgiev; Kisyov, Stefan Vasilev; Ivanova, Vilislava Robert

2015-01-01

The authors describe a case of a congenital Mullerian anomaly, uterus unicornis with missing right fallopian tube. An in Vitro Fertilization Pre-Embryo Transfer (IVF-ET) procedure was done and presently is known that the patient has left fallopian tube and left ovary, two kidneys, and right ovary is missing. No diagnostic laparoscopy and hysteroscopy were done, only hysterosalpingography (HSG) before the IVF procedure. Several days after the follicular puncture of the left ovary the patient was urgently admitted to the hospital for specialized gynaecology in Varna. Transabdominal ultrasonography showed right ovary atypically located immediately next to the liver and with emerging theca-lutein cysts. PMID:27275261

The structure of cosmic ray shocks

NASA Astrophysics Data System (ADS)

Axford, W. I.; Leer, E.; McKenzie, J. F.

1982-07-01

The acceleration of cosmic rays by steady shock waves has been discussed in brief reports by Leer et al. (1976) and Axford et al. (1977). This paper presents a more extended version of this work. The energy transfer and the structure of the shock wave is discussed in detail, and it is shown that even for moderately strong shock waves most of the upstream energy flux in the background gas is transferred to the cosmic rays. This holds also when the upstream cosmic ray pressure is very small. For an intermediate Mach-number regime the overall shock structure is shown to consist of a smooth transition followed by a gas shock (cf. Drury and Voelk, 1980).

Community Radiative Transfer Model Applications - A Study of the Retrieval of Trace Gases in the Atmosphere from Cross-track Infrared Sounder (CrIS) Data of a Full-spectral Resolution

NASA Astrophysics Data System (ADS)

Liu, Q.; Nalli, N. R.; Tan, C.; Zhang, K.; Iturbide, F.; Wilson, M.; Zhou, L.

2015-12-01

The Community Radiative Transfer Model (CRTM) [3] operationally supports satellite radiance assimilation for weather forecasting, sensor data verification, and the retrievals of satellite products. The CRTM has been applied to UV and visible sensors, infrared and microwave sensors. The paper will demonstrate the applications of the CRTM, in particular radiative transfer in the retrieva algorithm. The NOAA Unique CrIS/ATMS Processing System (NUCAPS) operationally generates vertical profiles of atmospheric temperature (AVTP) and moisture (AVMP) from Suomi NPP Cross-track Infrared Sounder (CrIS) and Advanced Technology Microwave Sounder (ATMS) measurements. Current operational CrIS data have reduced spectral resolution: 1.25 cm-1 for a middle wave band and 2.5 cm-1 for a short-wave wave band [1]. The reduced spectral data largely degraded the retrieval accuracy of trace gases. CrIS full spectral data are also available now which have single spectral resolution of 0.625 cm-1 for all of the three bands: long-wave band, middle wave band, and short-wave band. The CrIS full-spectral resolution data is critical to the retrieval of trace gases such as O3, CO [2], CO2, and CH4. In this paper, we use the Community Radiative Transfer Model (CRTM) to study the impact of the CrIS spectral resolution on the retrieval accuracy of trace gases. The newly released CRTM version 2.2.1 can simulates Hamming-apodized CrIS radiance of a full-spectral resolution. We developed a small utility that can convert the CRTM simulated radiance to un-apodized radiance. The latter has better spectral information which can be helpful to the retrievals of the trace gases. The retrievals will be validated using both NWP model data as well as the data collected during AEROSE expeditions [4]. We will also discuss the sensitivity on trace gases between apodized and un-apodized radiances. References[1] Gambacorta, A., et al.(2013), IEEE Lett., 11(9), doi:10.1109/LGRS.2014.230364, 1639-1643. [2] Han, Y., et al. (2013), JGR.,118, 12,734-12,748, doi:10.1002/2013JD020344. [3] Liu, Q., and S. Boukabara (2013), Remote Sen. Environ., 140 (2014) 744-754. [4] Nalli, N. R. et al(2011) . Bulletin of the American Meteorological Society, (92), 765-789.

Approach to interfacial and intramolecular electron transfer of the diheme protein cytochrome c4 assembled on Au(111) surfaces.

PubMed

Chi, Qijin; Zhang, Jingdong; Arslan, Taner; Borg, Lotte; Pedersen, Gert W; Christensen, Hans E M; Nazmudtinov, Renat R; Ulstrup, Jens

2010-04-29

Intramolecular electron transfer (ET) between metal centers is a core feature of large protein complexes in photosynthesis, respiration, and redox enzyme catalysis. The number of microscopic redox potentials and ET rate constants is, however, prohibitive for experimental cooperative ET mapping, but two-center proteins are simple enough to offer complete communication networks. At the same time, multicenter redox proteins operate in membrane environments where conformational dynamics may lead to gated ET features different from conditions in homogeneous solution. The bacterial respiratory diheme protein Pseudomonas stutzeri cytochrome c(4) has been a target for intramolecular, interheme ET. We report here voltammetric and in situ scanning tunneling microscopy (STM) data for P. stutzeri cyt c(4) at single-crystal, atomically planar Au(111)-electrode surfaces modified by variable-length omega-mercapto-alkanoic carboxylic acids. As evidenced by in situ STM, the strongly dipolar protein is immobilized in a close to vertical orientation at this surface with the positively charged high-potential heme domain adjacent to the electrode. This orientation gives asymmetric voltammograms with two one-ET peaks in the cathodic direction and a single two-ET peak in the anodic direction. Intramolecular, interheme ET with high, 8,000-30,000 s(-1), rate constants is notably an essential part of this mechanism. The high rate constants are in striking contrast to ET reactions of P. stutzeri cyt c(4) with small reaction partners in homogeneous solution for which kinetic analysis clearly testifies to electrostatic cooperative effects but no intramolecular, interheme ET higher than 0.1-10 s(-1). This difference suggests a strong gating feature of the process. On the basis of the three-dimensional structure of P. stutzeri cyt c(4), gating is understandable due to the through-space, hydrogen-bonded electronic contact between the heme propionates which is highly sensitive to environmental configurational fluctuations.

Problems with multiple use of transfer buffer in protein electrophoretic transfer.

PubMed

Dorri, Yaser; Kurien, Biji T; Scofield, R Hal

2010-04-01

Two-dimensional gel electrophoresis (2DE) and SDS-PAGE are the two most useful methods in protein separation. Proteins separated by 2DE or SDS-PAGE are usually transferred to membranes using a variety of methods, such as electrophoretic transfer, heat-mediated transfer, or nonelectrophoretic transfer, for specific protein detection and/or analysis. In a recent study, Pettegrew et al. claim to reuse transfer buffer containing methanol for at least five times for transferring proteins from SDS-PAGE to polyvinylidene difluoride. They add 150-200 ml fresh transfer solution each time for extended use as a result of loss of transfer buffer. Finally, they test efficiency of each protein transfer by chemiluminescence detection. Here, we comment on this report, as we believe this method is not accurate and useful for protein analysis, and it can cause background binding as well as inaccurate protein analysis.

Algorithm of regional surface evaporation using remote sensing: A case study of Haihe basin, China

NASA Astrophysics Data System (ADS)

Xiong, Jun; Wu, Bingfang; Yan, Nana; Hu, Minggang

2007-11-01

Evapotranspiration (ET, or latent heat flux) is the most essential and uncertain factor in water resource management. Remote sensing is a promising tool for estimation of spatial distribution of ET at regional scale with limited ground observations. We developed an algorithm for estimating regional evapotranspiration from MODIS 1b data and ancillary meteorological data. The algorithm is an integration of Penman-Monteith equation and SEBS (Surface Energy Balance System) model. The former is a combination of the energy balance theory and the mass transfer method to compute the evaporation from cropped surfaces from standard climatological records of sunshine, temperature, humidity and wind speed by introducing resistance factors, and the latter determines the spatio-temporal variability of regional evaporative condition. First, we characterized key land surface parameters on satellite over passing days, including fractional vegetation cover (fc), roughness height for momentum (z0m), net radiation (Rn) and soil heat flux (G0); Second, SEBS was applied to partition the sensible heat (H) from latent heat (LE) in combination with Planetary Boundary Layer (PBL) information from seven meteorological stations. A parameterization of surface roughness was applied at mountainous area considering topographic influence; third, we chose available surface resistance (RS) as the temporal-scaling factor. With bulk surface resistance is properly defined, P-M methods is valid for both soil and vegetation canopy. We validated ET from this algorithm with limited actual observations of ET including 2 eddy covariance system dataset and 1 lysimeter sites. Water balance equation is used as a trend-analysis tool to show the consistency between rainfall and ET on four drainage area. As a result, the prototype products showed different accuracy and applicability on different underlying and time scale, which demonstrates the potential of this approach for estimating ET from 1-km to regional spatial scale in North China Plain.

Comment on “The role of interbasin groundwater transfers in geologically complex terranes, demonstrated by the Great Basin in the western United States”: report published in Hydrogeology Journal (2014) 22:807–828, by Stephen T. Nelson and Alan L. Mayo

USGS Publications Warehouse

Masbruch, Melissa D.; Brooks, Lynette E.; Heilweil, Victor M.; Sweetkind, Donald S.

2015-01-01

The subject article (Nelson and Mayo 2014) presents an overview of previous reports of interbasin flow in the Great Basin of the western United States. This Comment is presented by authors of a cited study (comprising chapters in one large report) on the Great Basin carbonate and alluvial aquifer system (GBCAAS; Heilweil and Brooks 2011; Masbruch et al. 2011; Sweetkind et al. 2011a, b), who agree that water budget imbalances alone are not enough to accurately quantify interbasin flow; however, it is proposed that statements made in the subject article about the GBCAAS report are inaccurate. The Comment authors appreciate the opportunity to clarify some statements made about the work.

Biosensoric potential of microbial fuel cells.

PubMed

Schneider, György; Kovács, Tamás; Rákhely, Gábor; Czeller, Miklós

2016-08-01

Recent progress in microbial fuel cell (MFC) technology has highlighted the potential of these devices to be used as biosensors. The advantages of MFC-based biosensors are that they are phenotypic and can function in either assay- or flow-through formats. These features make them appropriate for contiguous on-line monitoring in laboratories and for in-field applications. The selectivity of an MFC biosensor depends on the applied microorganisms in the anodic compartment where electron transfer (ET) between the artificial surface (anode) and bacterium occurs. This process strongly determines the internal resistance of the sensoric system and thus influences signal outcome and response time. Despite their beneficial characteristics, the number of MFC-based biosensoric applications has been limited until now. The aim of this mini-review is to turn attention to the biosensoric potential of MFCs by summarizing ET mechanisms on which recently established and future sensoric devices are based.

Influence of Proton Acceptors on the Proton-Coupled Electron Transfer Reaction Kinetics of a Ruthenium-Tyrosine Complex.

PubMed

Lennox, J Christian; Dempsey, Jillian L

2017-11-22

A polypyridyl ruthenium complex with fluorinated bipyridine ligands and a covalently bound tyrosine moiety was synthesized, and its photo-induced proton-coupled electron transfer (PCET) reactivity in acetonitrile was investigated with transient absorption spectroscopy. Using flash-quench methodology with methyl viologen as an oxidative quencher, a Ru 3+ species is generated that is capable of initiating the intramolecular PCET oxidation of the tyrosine moiety. Using a series of substituted pyridine bases, the reaction kinetics were found to vary as a function of proton acceptor concentration and identity, with no significant H/D kinetic isotope effect. Through analysis of the kinetics traces and comparison to a control complex without the tyrosine moiety, PCET reactivity was found to proceed through an equilibrium electron transfer followed by proton transfer (ET-PT) pathway in which irreversible deprotonation of the tyrosine radical cation shifts the ET equilibrium, conferring a base dependence on the reaction. Comprehensive kinetics modeling allowed for deconvolution of complex kinetics and determination of rate constants for each elementary step. Across the five pyridine bases explored, spanning a range of 4.2 pK a units, a linear free-energy relationship was found for the proton transfer rate constant with a slope of 0.32. These findings highlight the influence that proton transfer driving force exerts on PCET reaction kinetics.

Valuing ecosystem services using benefit transfer: separating credible and incredible approaches: chapter 3

USGS Publications Warehouse

Loomis, John H.; Richardson, Leslie; Kroeger, Timm; Casey, Frank

2014-01-01

Ecosystem goods and services are now widely recognized as the benefits that humans derive from the natural environment around them including abiotic (e.g. atmosphere) and biotic components. The work by Costanza et al. (1997) to value the world’s ecosystem services brought the concept of ecosystem service valuation to the attention of the world press and environmental economists working in the area of non-market valuation. The article’s US$33 trillion estimate of these services, despite world GDP being only US$18 trillion, was definitely headline grabbing. This ambitious effort was undertaken with reliance on transferring existing values per unit from other (often site specific) valuation studies. Benefit transfer (see Boyle and Bergstrom, 1992; Rosenberger and Loomis, 2000, 2001) involves transfers of values per unit from an area that has been valued using primary valuation methods such as contingent valuation, travel cost or hedonic property methods (Champ et al., 2003) to areas for which values are needed. Benefit transfer often provides a reasonable approximation of the benefit of unstudied ecosystem services based on transfer of benefits estimates per unit (per visitor day, per acre) from existing studies. An appropriate benefit transfer should be performed on the same spatial scale of analysis (e.g. reservoir to reservoir, city to city) as the original study. However, the reasonableness of benefit transfer may be strained when applying locally derived per acre values from studies of several thousand acres of a resource such as wetlands to hundreds of millions of acres of wetlands.

AstroCloud, a Cyber-Infrastructure for Astronomy Research: Data Archiving and Quality Control

NASA Astrophysics Data System (ADS)

He, B.; Cui, C.; Fan, D.; Li, C.; Xiao, J.; Yu, C.; Wang, C.; Cao, Z.; Chen, J.; Yi, W.; Li, S.; Mi, L.; Yang, S.

2015-09-01

AstroCloud is a cyber-Infrastructure for Astronomy Research initiated by Chinese Virtual Observatory (China-VO) under funding support from NDRC (National Development and Reform commission) and CAS (Chinese Academy of Sciences)1(Cui et al. 2014). To archive the astronomical data in China, we present the implementation of the astronomical data archiving system (ADAS). Data archiving and quality control are the infrastructure for the AstroCloud. Throughout the data of the entire life cycle, data archiving system standardized data, transferring data, logging observational data, archiving ambient data, And storing these data and metadata in database. Quality control covers the whole process and all aspects of data archiving.

results obtained by the application of two different methods for the calculation of optimal coplanar orbital maneuvers with time limit

NASA Astrophysics Data System (ADS)

Rocco, Emr; Prado, Afbap; Souza, Mlos

In this work, the problem of bi-impulsive orbital transfers between coplanar elliptical orbits with minimum fuel consumption but with a time limit for this transfer is studied. As a first method, the equations presented by Lawden (1993) were used. Those equations furnishes the optimal transfer orbit with fixed time for this transfer, between two elliptical coplanar orbits considering fixed terminal points. The method was adapted to cases with free terminal points and those equations was solved to develop a software for orbital maneuvers. As a second method, the equations presented by Eckel and Vinh (1984) were used, those equations provide the transfer orbit between non-coplanar elliptical orbits with minimum fuel and fixed time transfer, or minimum time transfer for a prescribed fuel consumption, considering free terminal points. But in this work only the problem with fixed time transfer was considered, the case of minimum time for a prescribed fuel consumption was already studied in Rocco et al. (2000). Then, the method was modified to consider cases of coplanar orbital transfer, and develop a software for orbital maneuvers. Therefore, two software that solve the same problem using different methods were developed. The first method, presented by Lawden, uses the primer vector theory. The second method, presented by Eckel and Vinh, uses the ordinary theory of maxima and minima. So, to test the methods we choose the same terminal orbits and the same time as input. We could verify that we didn't obtain exactly the same result. In this work, that is an extension of Rocco et al. (2002), these differences in the results are explored with objective of determining the reason of the occurrence of these differences and which modifications should be done to eliminate them.

Fault Interaction and Stress Accumulation in Chaman Fault System, Balouchistan, Pakistan, Since 1892

NASA Astrophysics Data System (ADS)

Riaz, M. S.; Shan, B.; Xiong, X.; Xie, Z.

2017-12-01

The curved-shaped left-lateral Chaman fault is the Western boundary of the Indian plate, which is approximately 1000 km long. The Chaman fault is an active fault and also locus of many catastrophic earthquakes. Since the inception of strike-slip movement at 20-25Ma along the western collision boundary between Indian and Eurasian plates, the average geologically constrained slip rate of 24 to 35 mm/yr accounts for a total displacement of 460±10 km along the Chaman fault system (Beun et al., 1979; Lawrence et al., 1992). Based on earthquake triggering theory, the change in Coulomb Failure Stress (DCFS) either halted (shadow stress) or advances (positive stress) the occurrence of subsequent earthquakes. Several major earthquakes occurred in Chaman fault system, and this region is poorly studied to understand the earthquake/fault interaction and hazard assessment. In order to do so, we have analyzed the earthquakes catalog and collected significant earthquakes with M ≥6.2 since 1892. We then investigate the evolution of DCFS in the Chaman fault system is computed by integration of coseismic static and postseismic viscoelastic relaxation stress transfer since the 1892, using the codePSGRN/PSCMP (Wang et al., 2006). Moreover, for postseismic stress transfer simulation, we adopted linear Maxwell rheology to calculate the viscoelastic effects in this study. Our results elucidate that three out of four earthquakes are triggered by the preceding earthquakes. The 1892-earthquake with magnitude Mw6.8, which occurred on the North segment of Chaman fault has not influence the 1935-earthquake which occurred on Ghazaband fault, a parallel fault 20km east to Chaman fault. The 1935-earthquake with magnitude Mw7.7 significantly loaded the both ends of rupture with positive stress (CFS ≥0.01 Mpa), which later on triggered the 1975-earthquake with 23% of its rupture length where CFS ≥0.01 Mpa, on Chaman fault, and 1990-earthquke with 58% of its rupture length where CFS ≥0.01 Mpa, on Ghazaband fault. Since the 1935-earthquke significantly increased the stress on both ends of its rupture, the 2013-earthquake with magnitude Mw7.7 occurred on Hoshab fault in the positive stress zone with 26% of its rupture length where CFS ≥0.01 Mpa, Fig 1. Our results revealed the interaction among the earthquakes as well as faults in the study region.

Improving Transfer Student Baccalaureate Completion through Higher Education Centers

ERIC Educational Resources Information Center

Gonzalez, Jeffery Mark

2013-01-01

According to the National Center for Education Statistics (Aud et al., 2013), only 10.6% of students who started at a two-year institution in the 2003-2004 year successfully completed a baccalaureate degree from a four-year institution within six years. Two- and four-year institutions are looking for new strategies to improve transfer student…

Distance dependence in photoinduced intramolecular electron transfer. Additional remarks and calculations

NASA Astrophysics Data System (ADS)

Larsson, Sven; Volosov, Andrey

1987-12-01

Rate constants for photoinduced intramolecular electron transfer are calculated for four of the molecules studied by Hush et al. The electronic factor is obtained in quantum chemical calculations using the CNDO/S method. The results agree reasonably well with experiments for the forward reaction. Possible reasons for the disagreement for the charge recombination process are offered.

Temperature Coefficient for Modeling Denitrification in Surface Water Sediments Using the Mass Transfer Coefficient

Treesearch

T. W. Appelboom; G. M. Chescheir; R. W. Skaggs; J. W. Gilliam; Devendra M. Amatya

2006-01-01

Watershed modeling has become an important tool for researchers with the high costs of water quality monitoring. When modeling nitrate transport within drainage networks, denitrification within the sediments needs to be accounted for. Birgand et. al. developed an equation using a term called a mass transfer coefficient to mathematically describe sediment...

76 FR 77023 - In the Matter of Florida Power Corporation, et al., Crystal River Unit 3 Nuclear Generating Plant...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-09

... the Nuclear Regulatory Commission (NRC, the Commission) consent to the proposed indirect transfer of... transfer action, FPC shall inform the Director of the Office of Nuclear Reactor Regulation in writing of... NUCLEAR REGULATORY COMMISSION [NRC-2011-0281; License No. DPR-72; Docket No. 50-302] In the Matter...

Solid state protein monolayers: Morphological, conformational, and functional properties

NASA Astrophysics Data System (ADS)

Pompa, P. P.; Biasco, A.; Frascerra, V.; Calabi, F.; Cingolani, R.; Rinaldi, R.; Verbeet, M. Ph.; de Waal, E.; Canters, G. W.

2004-12-01

We have studied the morphological, conformational, and electron-transfer (ET) function of the metalloprotein azurin in the solid state, by a combination of physical investigation methods, namely atomic force microscopy, intrinsic fluorescence spectroscopy, and scanning tunneling microscopy. We demonstrate that a "solid state protein film" maintains its nativelike conformation and ET function, even after removal of the aqueous solvent.

A Nonlinear Transfer Operator Theorem

NASA Astrophysics Data System (ADS)

Pollicott, Mark

2017-02-01

In recent papers, Kenyon et al. (Ergod Theory Dyn Syst 32:1567-1584 2012), and Fan et al. (C R Math Acad Sci Paris 349:961-964 2011, Adv Math 295:271-333 2016) introduced a form of non-linear thermodynamic formalism based on solutions to a non-linear equation using matrices. In this note we consider the more general setting of Hölder continuous functions.

Exploring the effect of band alignment and surface states on photoinduced electron transfer from CuInS2/CdS core/shell quantum dots to TiO2 electrodes.

PubMed

Sun, Mingye; Zhu, Dehua; Ji, Wenyu; Jing, Pengtao; Wang, Xiuying; Xiang, Weidong; Zhao, Jialong

2013-12-11

Photoinduced electron transfer (ET) processes from CuInS2/CdS core/shell quantum dots (QDs) with different core sizes and shell thicknesses to TiO2 electrodes were investigated by time-resolved photoluminescence (PL) spectroscopy. The ET rates and efficiencies from CuInS2/CdS QDs to TiO2 were superior to those of CuInS2/ZnS QDs. An enhanced ET efficiency was surprisingly observed for 2.0 nm CuInS2 core QDs after growth of the CdS shell. On the basis of the experimental and theoretical analysis, the improved performances of CuInS2/CdS QDs were attributed to the passivation of nonradiative traps by overcoating shell and enhanced delocalization of electron wave function from core to CdS shell due to lower conduction band offset. These results indicated that the electron distribution regulated by the band alignment between core and shell of QDs and the passivation of surface defect states could improve ET performance between donor and acceptor.

Relationship between antithyroid antibody and pregnancy outcome following in vitro fertilization and embryo transfer.

PubMed

Zhong, Yi-ping; Ying, Ying; Wu, Hai-tao; Zhou, Can-quan; Xu, Yan-wen; Wang, Qiong; Li, Jie; Shen, Xiao-ting; Li, Jin

2012-01-01

To investigate the impact of antithyroid antibody on pregnancy outcome following the in vitro fertilization and embryo transfer (IVF-ET). A total of 90 patients (156 cycles) positive for antithyroid antibody (ATA+ group) and 676 infertile women (1062 cycles) negative for antithyroid antibody (ATA- group) undergoing IVF/ICSI from August 2009 to August 2010 were retrospectively analyzed. There was no significant difference in the days of ovarian stimulation, total gonadotropin dose, serum E2 level of HCG day and number of oocytes retrieved between the two groups. The fertilization rate, implantation rate and pregnancy rate following IVF-ET were significantly lower in women with antithyroid antibody than in control group (64.3% vs 74.6%, 17.8% vs 27.1% and 33.3% vs 46.7%, respectively), but the abortion rate was significantly higher in patients with antithyroid antibody (26.9% vs 11.8%). Patients with antithyroid antibody showed significantly lower fertilization rate, implantation rate and pregnancy rate and higher risk for abortion following IVF-ET when compared with those without antithyroid antibody. Thus, the presence of antithyroid antibody is detrimental for the pregnancy outcome following IVF-ET.

Relationship between Antithyroid Antibody and Pregnancy Outcome following in Vitro Fertilization and Embryo Transfer

PubMed Central

Zhong, Yi-ping; Ying, Ying; Wu, Hai-tao; Zhou, Can-quan; Xu, Yan-wen; Wang, Qiong; Li, Jie; Shen, Xiao-ting; Li, Jin

2012-01-01

Objective: To investigate the impact of antithyroid antibody on pregnancy outcome following the in vitro fertilization and embryo transfer (IVF-ET). Methods: A total of 90 patients (156 cycles) positive for antithyroid antibody (ATA+ group) and 676 infertile women (1062 cycles) negative for antithyroid antibody (ATA- group) undergoing IVF/ICSI from August 2009 to August 2010 were retrospectively analyzed. Results: There was no significant difference in the days of ovarian stimulation, total gonadotropin dose, serum E2 level of HCG day and number of oocytes retrieved between the two groups. The fertilization rate, implantation rate and pregnancy rate following IVF-ET were significantly lower in women with antithyroid antibody than in control group (64.3% vs 74.6%, 17.8% vs 27.1% and 33.3% vs 46.7%, respectively), but the abortion rate was significantly higher in patients with antithyroid antibody (26.9% vs 11.8%). Conclusion: Patients with antithyroid antibody showed significantly lower fertilization rate, implantation rate and pregnancy rate and higher risk for abortion following IVF-ET when compared with those without antithyroid antibody. Thus, the presence of antithyroid antibody is detrimental for the pregnancy outcome following IVF-ET. PMID:22253557

UVA radiation induced ultrafast electron transfer from a food carcinogen benzo[a]pyrene to organic molecules, biological macromolecules, and inorganic nano structures.

PubMed

Banerjee, Soma; Sarkar, Soumik; Lakshman, Karthik; Dutta, Joydeep; Pal, Samir Kumar

2013-04-11

Reactions involving electron transfer (ET) and reactive oxygen species (ROS) play a pivotal role in carcinogenesis and cancer biochemistry. Our present study emphasizes UVA radiation induced ET reaction as one of the key aspects of a potential carcinogen, benzo[a]pyrene (BP), in the presence of a wide variety of molecules covering organic p-benzoquinone (BQ), biological macromolecules like calf-thymus DNA (CT-DNA), human serum albumin (HSA) protein, and inorganic zinc oxide (ZnO) nanorods (NRs). Steady-state and picosecond-resolved fluorescence spectroscopy have been used to monitor such ET reactions. Physical consequences of BP association with CT-DNA have been investigated through temperature-dependent circular dichroism (CD) spectroscopy. The temperature-dependent steady-state, picosecond-resolved fluorescence lifetime and anisotropy studies reveal the effect of temperature on the perturbation of such ET reactions from BP to biological macromolecules, highlighting their temperature-dependent association. Furthermore, the electron-donating property of BP has been corroborated by measuring wavelength-dependent photocurrent in a BP-anchored ZnO NR-based photodevice, offering new physical insights for the carcinogenic study of BP.

Electron flow in multicenter enzymes: theory, applications, and consequences on the natural design of redox chains.

PubMed

Léger, Christophe; Lederer, Florence; Guigliarelli, Bruno; Bertrand, Patrick

2006-01-11

In protein film voltammetry, a redox enzyme is directly connected to an electrode; in the presence of substrate and when the driving force provided by the electrode is appropriate, a current flow reveals the steady-state turnover. We show that, in the case of a multicenter enzyme, this signal reports on the energetics and kinetics of electron transfer (ET) along the redox chain that wires the active site to the electrode, and this provides a new strategy for studying intramolecular ET. We propose a model which takes into account all the enzyme's redox microstates, and we prove it useful to interpret data for various enzymes. Several general ideas emerge from this analysis. Considering the reversibility of ET is a requirement: the usual picture, where ET is depicted as a series of irreversible steps, is oversimplified and lacks the important features that we emphasize. We give justification to the concept of apparent reduction potential on the time scale of turnover and we explain how the value of this potential relates to the thermodynamic and kinetic properties of the system. When intramolecular ET does not limit turnover, the redox chain merely mediates the driving force provided by the electrode or the soluble redox partner, whereas when intramolecular ET is slow, the enzyme behaves as if its active active site had apparent redox properties which depend on the reduction potentials of the relays. This suggests an alternative to the idea that redox chains are optimized in terms of speed: evolutionary pressure may have resulted in slowing down intramolecular ET in order to tune the enzyme's "operating potential".

Orographic Condensation at the South Pole of Titan

NASA Astrophysics Data System (ADS)

Corlies, Paul; Hayes, Alexander; Adamkovics, Mate

2016-10-01

Although many clouds have been observed on Titan over the past two decades (Griffith et al. 1998, Rodriquez et al 2009, Brown et al. 2010), only a handful of clouds have been analyzed in detail (Griffith et al 2005, Brown et al 2009, Adamkovics et al 2010). In light of new data and better radiative transfer (RT) modelling, we present here a reexamination of one of these cloud systems observed in March 2007, formerly identified as ground fog (Brown et al 2009), using the Cassini VIMS instrument. Combining our analysis with RADAR observations we attempt to understand the connection and correlation between this low altitude atmospheric phenomenon and the local topography, suggesting instead, a topographically driven (orographic) cloud formation mechanism. This analysis would present the first links between cloud formation and topography on Titan, and has valuable implications in understanding additional cloud formation mechanisms, allowing for a better understanding of Titan's atmospheric dynamics.We will also present an update on an ongoing ground based observation campaign looking for clouds on Titan. This campaign, begun back in April 2014, has been (nearly) continuously monitoring Titan for ongoing cloud activity. Although a variety of telescope and instruments have been used in an effort to best capture the onset of cloud activity expected at Titan's North Pole, no cloud outbursts have yet been observed from the ground (though frequent observations have been made with Cassini ISS/VIMS). This is interesting because it further suggests a developing dichotomy between Titan's seasons, since clouds were observable from the ground during southern summer. Thus, monitoring the onset of large scale cloud activity at Titan's North Pole will be crucial to understanding Titan's hydrologic cycle on seasonal timescales.

Active Transtensional Tectonics Due to Differentially Rotating Upper Crustal Blocks East of the Eastern Himalayan syntaxis, Yunnan Province, China.

NASA Astrophysics Data System (ADS)

Studnikigizbert, C.; Eich, L.; King, R.; Burchfiel, B. C.; Chen, Z.; Chen, L.

2004-12-01

Seismological (Holt et. al. 1996), geodetic (King et. al. 1996, Chen et. al. 2000) and geological (Wang et. al. 1995, Wang and Burchfiel 2002) studies have shown that upper crustal material north and east of the eastern Himalayan syntaxis rotates clockwise about the syntaxis, with the Xianshuihe fault accommodating most of this motion. Within the zone of rotating material, however, deformation is not completely homogenous, and numerous differentially rotating small crustal fragments are recognised. We combine seismic (CSB and Harvard CMT catalogues), geodetic (CSB and MIT-Chengdu networks), remote sensing, compilation of existing regional maps and our own detailed field mapping to characterise the active tectonics of a clockwise rotating crustal block between Zhongdian and Dali. The northeastern boundary is well-defined by the northwest striking left-lateral Zhongdian and Daju faults. The eastern boundary, on the other hand, is made up of a 80 km wide zone characterised by north-south trending extensional basins linked by NNE trending left-lateral faults. Geological mapping suggests that strain is accommodated by three major transtensional fault systems: the Jianchuan-Lijiang, Heqing and Chenghai fault systems. Geodetic data indicates that this zone accommodates 10 +/- 1.4 mm/year of E-W extension, but strain may be (presently) preferentially partitioned along the easternmost (Chenghai) fault. Not all geodetic velocities are consistent with geological observations. In particular, rotation and concomitant transtension are somehow transferred across the Red River-Tongdian faults to Nan Tinghe fault with no apparent accommodating structures. Rotation and extension is surmised to be related to the northward propagation of the syntaxis.

Exciplex mediated photoinduced electron transfer reactions of phthalocyanine-fullerene dyads.

PubMed

Niemi, Marja; Tkachenko, Nikolai V; Efimov, Alexander; Lehtivuori, Heli; Ohkubo, Kei; Fukuzumi, Shunichi; Lemmetyinen, Helge

2008-07-31

Evidences of an intramolecular exciplex intermediate in a photoinduced electron transfer (ET) reaction of double-linked free-base and zinc phthalocyanine-C60 dyads were found. This was the first time for a dyad with phthalocyanine donor. Excitation of the phthalocyanine moiety of the dyads results in rapid ET from phthalocyanine to fullerene via an exciplex state in both polar and nonpolar solvents. Relaxation of the charge-separated (CS) state Pc(*+)-C60(*-) in a polar solvent occurs directly to the ground state in 30-70 ps. In a nonpolar solvent, roughly 20% of the molecules undergo transition from the CS state to phthalocyanine triplet state (3)Pc*-C60 before relaxation to the ground state. Formation of the CS state was confirmed with electron spin resonance measurements at low temperature in both polar and nonpolar solvent. Reaction schemes for the photoinduced ET reactions of the dyads were completed with rate constants obtained from the time-resolved absorption and emission measurements and with state energies obtained from the fluorescence, phosphorescence, and voltammetric measurements.

Performance of Frozen Density Embedding for Modeling Hole Transfer Reactions.

PubMed

Ramos, Pablo; Papadakis, Markos; Pavanello, Michele

2015-06-18

We have carried out a thorough benchmark of the frozen density-embedding (FDE) method for calculating hole transfer couplings. We have considered 10 exchange-correlation functionals, 3 nonadditive kinetic energy functionals, and 3 basis sets. Overall, we conclude that with a 7% mean relative unsigned error, the PBE and PW91 functionals coupled with the PW91k nonadditive kinetic energy functional and a TZP basis set constitute the most stable and accurate levels of theory for hole transfer coupling calculations. The FDE-ET method is found to be an excellent tool for computing diabatic couplings for hole transfer reactions.

Studies of Gas Turbine Heat Transfer Airfoil Surface and End-Wall Cooling Effects.

DTIC Science & Technology

1988-03-01

curvature, recovery, and free-stream turbulence, . of .Turbomachinery, Vol. 110, No. 1, pp. 80-87. Patankar, S.V. ( 1980 ) Numerical Heat Transfer and Fluid...parabolic flows , Int. J. Heat Mass Transfer, Vol. 15, No. 2, p. 1787. Rodi, W. ( 1980 ) Turbulence Models and their Applications in Hydraulics, Book...4000 e ZYSINA-MOLOZHEN eal 0 SINCLAIR-WELLS v BOLTZ et 0l C) 3& DRYDEN *Z 3000 0 SCHUBAUER el 1 Z 0 HALL B HISLOP L VAN DER HEGGE ZIJNEN

Assessing the Impact of the Work Environment on Training Transfer: An Investigation of the Air Force Acquisition Management Course

DTIC Science & Technology

2007-06-01

Hult et al., 2003); yet it is most often taken for granted or is simply not transferred for the benefit of the organization. The Air Force...budget increase of 7 percent over last year. Today , companies are spending $1,273 per learner on training, including staff salaries. These higher...with the business strategy to develop plans to ensure training is being efficiently transferred to the organization. Current Knowledge Current

Can ferric-superoxide act as a potential oxidant in P450(cam)? QM/MM investigation of hydroxylation, epoxidation, and sulfoxidation.

PubMed

Lai, Wenzhen; Shaik, Sason

2011-04-13

In view of recent reports of high reactivity of ferric-superoxide species in heme and nonheme systems (Morokuma et al. J. Am. Chem. Soc. 2010, 132, 11993-12005; Que et al. Inorg. Chem. 2010, 49, 3618-3628; Nam et al. J. Am. Chem. Soc. 2010, 132, 5958-5959; J. Am. Chem. Soc. 2010, 132, 10668-10670), we use herein combined quantum mechanics/molecular mechanics (QM/MM) methods to explore the potential reactivity of P450(cam) ferric-superoxide toward hydroxylation, epoxidation, and sulfoxidation. The calculations demonstrate that P450 ferric-superoxide is a sluggish oxidant compared with the high-valent oxoiron porphyrin cation-radical species. As such, unlike heme enzymes with a histidine axial ligand, the P450 superoxo species does not function as an oxidant in P450(cam). The origin of this different behavior of the superoxo species of P450 vis-à-vis other heme enzymes like tryptophan 2, 3-dioxygenase (TDO) is traced to the ability of the latter superoxo species to make a stronger FeOO-X (X = H,C) bond and to stabilize the corresponding bond-activation transition states by resonance with charge-transfer configurations. By contrast, the negatively charged thiolate ligand in the P450 superoxo species minimizes the mixing of charge transfer configurations in the transition state and raises the reaction barrier. However, as we demonstrate, an external electric field oriented along the Fe-O axis with a direction pointing from Fe toward O will quench Cpd I formation by slowing the reduction of ferric-superoxide and will simultaneously lower the barriers for oxidation by the latter species, thereby enabling observation of superoxo chemistry in P450. Other options for nascent superoxo reactivity in P450 are discussed. © 2011 American Chemical Society

Investigation into the Cause of Spontaneous Emulsification of a Free Steel Droplet; Validation of the Chemical Exchange Pathway

NASA Astrophysics Data System (ADS)

Spooner, Stephen; Assis, Andre N.; Warnett, Jason; Fruehan, Richard; Williams, Mark A.; Sridhar, Seetharaman

2016-08-01

Small Fe-based droplets have been heated to a molten phase suspended within a slag medium to replicate a partial environment within the basic oxygen furnace (BOF). The confocal scanning laser microscope (CSLM) has been used as a heating platform to interrogate the effect of impurities and their transfer across the metal/slag interface, on the emulsification of the droplet into the slag medium. The samples were then examined through X-ray computer tomography (XCT) giving the mapping of emulsion dispersion in 3D space, calculating the changing of interfacial area between the two materials, and changes of material volume due to material transfer between metal and slag. Null experiments to rule out thermal gradients being the cause of emulsification have been conducted as well as replication of the previously reported study by Assis et al.[1] which has given insights into the mechanism of emulsification. Finally chemical analysis was conducted to discover the transfer of oxygen to be the cause of emulsification, leading to a new study of a system with undergoing oxygen equilibration.

Oxidation of Organic Compoundsin the Atmospheric Aqueous Phase: Development of a New Explicit Oxidation Mechanism

NASA Astrophysics Data System (ADS)

Mouchel-Vallon, C.; Bregonzio-Rozier, L.; Monod, A.; Leriche, M.; Doussin, J. F.; Chaumerliac, N. M.; Deguillaume, L.

2014-12-01

Current 3D models tend to underestimate the production of secondary organic aerosol (SOA) in the atmosphere (Volkamer et al., 2006). Recent studies argue that aqueous chemistry in clouds could be responsible for a significant production of SOA (Ervens et al., 2011; Carlton and Turpin, 2013) through oxidative and non-oxidative processes. Aqueous phase reactivity of organic compounds needs to be thoroughly described in models to identify organic molecules available to contribute to SOA mass. Recently, new empirical methods have been developed to allow the estimate of HO·reaction rates in the aqueous phase (Doussin and Monod, 2013, Minakata et al., 2009). These methods provide global rate constants together with branching ratios for HO·abstraction and addition on organic compounds of atmospheric interests. Current cloud chemistry mechanisms do not take the different possible pathways into account. Based on these structure-activity relationships, a new detailed aqueous phase mechanism describing the oxidation of hydrosoluble organic compounds resulting from isoprene oxidation is proposed. This new aqueous phase mechanism is coupled with the detailed gas phase mechanism MCM v3.2 (Jenkin et al., 1997; Saunders et al., 2003) through a kinetic of mass transfer parameterization for the exchange between gas phase and aqueous phase. The GROMHE SAR (Raventos-Duran et al., 2010) allows the evaluation of Henry's law constants for organic compounds. Variable photolysis in both phases using the TUV 4.5 radiative transfer model (Madronich and Flocke, 1997) is also calculated. The resulting multiphase mechanism has been implemented in a cloud chemistry model. Focusing on oxygenated compounds produced from the isoprene oxidation, sensitivity tests and comparisons with multiphase experiments performed in the framework of the CUMULUS project in the CESAM atmospheric simulation chamber (Wang et al., 2011) will be presented. Volkamer et al., GRL, 33, L17811, 2006. Carlton and Turpin, ACP, 13, 10203-10214, 2013. Ervens et al., ACP, 11069-11102, 2011. Doussin and Monod, ACP, 13, 11625-11641, 2013. Minakata et al., EST, 45, 3479-3486, 2009. Jenkin et al., AE, 31, 81, 1997. Saunders et al., ACP, 3, 161, 2003. Raventos-Duran et al., ACP, 10, 7643-7654, 2010. Madronich and Flocke, 1997. Wang et al., AMT, 4, 2465-2494,2011.

Assisted reproductive technology in Japan: a summary report for 2015 by The Ethics Committee of The Japan Society of Obstetrics and Gynecology.

PubMed

Saito, Hidekazu; Jwa, Seung Chik; Kuwahara, Akira; Saito, Kazuki; Ishikawa, Tomonori; Ishihara, Osamu; Kugu, Koji; Sawa, Rintaro; Banno, Kouji; Irahara, Minoru

2018-01-01

The Japan Society of Obstetrics and Gynecology (JSOG) implemented an assisted reproductive technology (ART) registry system in 1986. Here are reported the characteristics and treatment outcomes of ART cycles that were registered in 2015. JSOG has requested all participating ART facilities to register cycle-specific information for all ART cycles since 2007. A descriptive analysis was performed by using the registry database for 2015. In total, 424 151 cycles and 51 001 neonates (1 in 19.7 neonates born in Japan) were registered in 2015. The patients' mean age was 38.2 years (standard deviation = 4.5). Among the fresh cycles, 94 158 of 244 718 (38.5%) egg retrieval cycles were cycles with freeze-all embryos or oocytes, while fresh embryo transfer (ET) was performed in 70 254 cycles, signaling a decrease from 2014. There were 169 898 frozen-thawed ET cycles, resulting in 56 355 pregnancies and 40 599 neonates. Single ET was performed at a rate of 79.7% for fresh and 81.8% for frozen cycles and the singleton pregnancy/live birth rates were 96.9%/96.5% and 96.8%/96.4% for the respective cycles. The total ART cycles and live births resulting from ART has been increasing in Japan. Single ET was performed at a rate of almost 80% and ET cycles have shifted from fresh to frozen cycles.

Control of single-photon routing in a T-shaped waveguide by another atom

NASA Astrophysics Data System (ADS)

Huang, Jin-Song; Wang, Jing-Wen; Wang, Yan; Li, Yan-Ling; Huang, You-Wen

2018-04-01

Quantum routers with a high routing rate of much more than 0.5 are of great importance for quantum networks. We provide a scheme to perform bidirectional high routing-rate transfer in a T-shaped coupled-resonator waveguide (CRW), which extends a recent unidirectional scheme proposed by Lu et al. (Opt Express 23:22955, 2015). By locating an extra two-level atom in the infinite CRW channel of the T-shaped CRW with a three-level system, an effective potential is generated. Our numerical results show that high routing capability from the infinite CRW channel to the semi-infinite channel can be achieved, and routing capability from the semi-infinite CRW channel to the infinite channel can also be significantly enhanced, with the help of the effective potential. Therefore, the proposed double-atom configuration could be utilized as a bidirectional quantum routing controller to implement high transfer rate routing of single photons.

Radiative Convective Transfer Calculations for Effective Stellar Fluxes of Habitable and Life Supporting Zones

NASA Astrophysics Data System (ADS)

Ludwig, Wolfgang; Eggl, Siegfried; Neubauer, David; Leitner, Johannes; Firneis, Maria; Hitzenberger, Regina

2014-05-01

Recent fields of interest in exoplanetary research include studies of potentially habitable planets orbiting stars outside of our Solar System. Habitable Zones (HZs) are currently defined by calculating the inner and the outer limits of the mean distance between exoplanets and their central stars based on effective solar fluxes that allow for maintaining liquid water on the planet's surface. Kasting et al. (1993), Selsis et al. (2007), and recently Kopparapu et al. (2013) provided stellar flux limits for such scenarios. We compute effective solar fluxes for Earth-like planets using Earth-like and other atmospheric scenarios including atmospheres with high level and low level clouds. Furthermore we provide habitability limits for solvents other than water, i.e. limits for the so called Life Supporting Zone, introduced by Leitner et al. (2010). The Life Supporting Zone (LSZ) encompasses many habitable zones based on a variety of liquid solvents. Solvents like ammonia and sulfuric acid have been identified for instance by Leitner et al (2012) as possibly life supporting. Assuming planets on circular orbits, the extent of the individual HZ is then calculated via the following equation, d(i,o) = [L/Lsun*1/S(i,o)]**0.5 au, where L is the star's luminosity, and d(i,o) and S(i,o) are the distances to the central star for the inner and the outer edge and effective insolation for inner and the outer edge of the HZ, respectively. After generating S(i,o) values for a selection of solvents, we provide the means to determine LSZ boundaries for main sequence stars. Effective flux calculations are done using a one dimensional radiative convective model (Neubauer et al. 2011) based on a modified version of the open source radiative transfer software Streamer (Key and Schweiger, 1998). Modifications include convective adjustments, additional gases for absorption and the use of an offline cloud model, which allow us to observe the influence of clouds on effective stellar fluxes. Kasting, J.F., Whitmire, D.P., & Reynolds, R.T. 1993, Icar, 101, 108 Key JR, Schweiger AJ (1998) Geosci 24:443-451. Kopparapu, R.J., et al. 2013 ApJ 765, 131 Leitner, J. J., Schwarz, R., Firneis, M. G., Hitzenberger, R., and Neubauer, D., Astrobiology Science Conference 2010, 26-29 April 2010, League City, USA, 2010 Leitner, J.J., Schulze-Makuch, D., Firneis, M.G., Hitzenberger, R., Neubauer, D., 2012 Paleontology Journal 46 (9), 1091 Neubauer, D., Vrtala, A., Leitner, J.J., Firneis, M.G., Hitzenberger, R., 2011 Origins of Life and Evolution of Biospheres, 41, 545-552 Selsis, F., Kasting, J.F., Levrard, B., et al. 2007b, A&A, 476, 137

Finite element modeling of borehole heat exchanger systems. Part 1. Fundamentals

NASA Astrophysics Data System (ADS)

Diersch, H.-J. G.; Bauer, D.; Heidemann, W.; Rühaak, W.; Schätzl, P.

2011-08-01

Single borehole heat exchanger (BHE) and arrays of BHE are modeled by using the finite element method. The first part of the paper derives the fundamental equations for BHE systems and their finite element representations, where the thermal exchange between the borehole components is modeled via thermal transfer relations. For this purpose improved relationships for thermal resistances and capacities of BHE are introduced. Pipe-to-grout thermal transfer possesses multiple grout points for double U-shape and single U-shape BHE to attain a more accurate modeling. The numerical solution of the final 3D problems is performed via a widely non-sequential (essentially non-iterative) coupling strategy for the BHE and porous medium discretization. Four types of vertical BHE are supported: double U-shape (2U) pipe, single U-shape (1U) pipe, coaxial pipe with annular (CXA) and centred (CXC) inlet. Two computational strategies are used: (1) The analytical BHE method based on Eskilson and Claesson's (1988) solution, (2) numerical BHE method based on Al-Khoury et al.'s (2005) solution. The second part of the paper focusses on BHE meshing aspects, the validation of BHE solutions and practical applications for borehole thermal energy store systems.

Properties of M components from currents measured at triggered lightning channel base

NASA Astrophysics Data System (ADS)

Thottappillil, Rajeev; Goldberg, Jon D.; Rakov, Vladimir A.; Uman, Martin A.; Fisher, Richard J.; Schnetzer, George H.

1995-12-01

Channel base currents from triggered lightning were measured at the NASA Kennedy Space Center, Florida, during summer 1990 and at Fort McClellan, Alabama, during summer 1991. An analysis of the return stroke data and overall continuing current data has been published by Fisher et al. [1993]. Here an analysis is given of the impulsive processes, called M components, that occur during the continuing current following return strokes. The 14 flashes analyzed contain 37 leader-return stroke sequences and 158 M components, both processes lowering negative charge from cloud to ground. Statistics are presented for the following M current pulse parameters: magnitude, rise time, duration, half-peak width, preceding continuing current level, M interval, elapsed time since the return stroke, and charge transferred by the M current pulse. A typical M component in triggered lightning is characterized by a more or less symmetrical current pulse having an amplitude of 100-200 A (2 orders of magnitude lower than that for a typical return stroke [Fisher et al., 1993]), a 10-90% rise time of 300-500 μs (3 orders of magnitude larger than that for a typical return stroke [Fisher et al., 1993]), and a charge transfer to ground of the order of 0.1 to 0.2 C (1 order of magnitude smaller than that for a typical subsequent return stroke pulse [Berger et al., 1975]). About one third of M components transferred charge greater than the minimum charge reported by Berger et al. [1975] for subsequent leader-return stroke sequences. No correlation was found between either the M charge or the magnitude of the M component current (the two are moderately correlated) and any other parameter considered. M current pulses occurring soon after the return stroke tend to have shorter rise times, shorter durations, and shorter M intervals than those which occur later. M current pulses were observed to be superimposed on continuing currents greater than 30 A or so, with one exception out of 140 cases, wherein the continuing current level was measured to be about 20 A. The first M component virtually always (one exception out of 34 cases) occurred within 4 ms of the return stroke. This relatively short separation time between return stroke and the first M component, coupled with the observation of Fisher et al. [1993] that continuing currents lasting longer than 10 ms never occur without M current pulses, implies that the M component is a necessary feature of the continuing current mode of charge transfer to ground.

Xerochrysium gen. nov. and Bettsia, genera encompassing xerophilic species of Chrysosporium.

PubMed

Pitt, John I; Lantz, Henrik; Pettersson, Olga Vinnere; Leong, Su-Lin L

2013-12-01

On the basis of a study of ITS sequences, Vidal et al. (Rev. Iber. Micol. 17: 22, 2000) recommended that the genus Chrysosporium be restricted to species belonging to Onygenales. Using nrLSU genes, we studied the majority of clades examined by Vidal et al. and showed that currently accepted species in Chrysosporium phylogenetically belong in six clades in three orders. Surprisingly, the xerophilic species of Chrysosporium, long thought to be a single grouping away from the majority of Chrysosporium species, occupy two clades, one in Leotiales, the other in Eurotiales. Species accepted in Leotiales are related to the sexual genus Bettsia. One is the type species B. alvei, and related asexual strains classified as C. farinicola, the second is C. fastidium transferred to Bettsia as B. fastidia. Species in the Eurotiales are transferred to Xerochrysium gen. nov., where the accepted species are X. xerophilum and X. dermatitidis, the correct name for C. inops on transfer to Xerochrysium. All accepted species are extreme xerophiles, found in dried and concentrated foods.

Re-examination of the taxonomic position of Bacillus silvestris Rheims et al. 1999 and proposal to transfer it to Solibacillus gen. nov. as Solibacillus silvestris comb. nov.

PubMed

Krishnamurthi, Srinivasan; Chakrabarti, Tapan; Stackebrandt, Erko

2009-05-01

Following the transfer of three of the six species enclosed in the original definition of rRNA group 2 of Bacillus to the genus Sporosarcina and two to Lysinibacillus, other species of this group, some of which were added later, still await taxonomic revision. In a recent publication, a set of 'core' characteristics was proposed for species to be included in the genus Bacillus (Kämpfer et al., 2006). Except for Bacillus silvestris, however, several or none of these properties are available for members of rRNA group 2. According to our analysis of data including the 'core' characteristics, Bacillus silvestris should not be a member of the genus Bacillus. We therefore propose the establishment of a new genus, Solibacillus gen. nov., and transfer Bacillus silvestris to this genus as Solibacillus silvestris comb. nov., with the type strain HR3-23(T) (=DSM 12223(T)=ATCC BAA-269(T)=CIP 106059(T)).

Transverse heat transfer coefficient in the dual channel ITER TF CICCs Part II. Analysis of transient temperature responses observed during a heat slug propagation experiment

NASA Astrophysics Data System (ADS)

Lewandowska, Monika; Herzog, Robert; Malinowski, Leszek

2015-01-01

A heat slug propagation experiment in the final design dual channel ITER TF CICC was performed in the SULTAN test facility at EPFL-CRPP in Villigen PSI. We analyzed the data resulting from this experiment to determine the equivalent transverse heat transfer coefficient hBC between the bundle and the central channel of this cable. In the data analysis we used methods based on the analytical solutions of a problem of transient heat transfer in a dual-channel cable, similar to Renard et al. (2006) and Bottura et al. (2006). The observed experimental and other limits related to these methods are identified and possible modifications proposed. One result from our analysis is that the hBC values obtained with different methods differ by up to a factor of 2. We have also observed that the uncertainties of hBC in both methods considered are much larger than those reported earlier.

Moving Toward the Ground State.

PubMed

Kumar, Ishan; Ivanova, Natalia

2015-10-01

Transferring mouse ESCs to a media supplemented with Mek and Gsk3β inhibitors (2i) provokes marked transcriptional and epigenetic changes, embodying a shift toward ground-state pluripotency. In this issue of Cell Stem Cell, Kolodziejczyk et al. (2015) examine population structures of ESCs while Galonska et al. (2015) unravel the mechanisms underlying regulatory network rewiring during 2i-mediated reprogramming. Copyright © 2015 Elsevier Inc. All rights reserved.

An analysis of alternative conceptual models relating hyporheic exchange flow to diel fluctuations in discharge during baseflow recession

Treesearch

Steven M. Wondzell; Michael N. Gooseff; Brian L. McGlynn

2009-01-01

Diel fluctuations in streamflow during base flow have been observed in many streams and are typically attributed to water losses from evapotranspiration (ET). However, there is no widely transferable conceptual model that explains how ET results in diel fluctuations in streamflow at the watershed outlet. For fluctuations to occur, two factors must be present: (1) some...

Is the United States Experiencing a "Matrilineal Tilt?": Gender, Family Structures and Financial Transfers to Adult Children

ERIC Educational Resources Information Center

Clark, Shelley; Kenney, Catherine

2010-01-01

Furstenberg et al. (1995) suggested that one unanticipated consequence of current high levels of divorce might be a "matrilineal tilt" in intergenerational wealth flows. This research uses six waves of the Health and Retirement Survey (1992 to 2002) to investigate this possibility with respect to financial transfers from parents to their…

Modelling of Titan's middle atmosphere with the IPSL climate model

NASA Astrophysics Data System (ADS)

Vatant d'Ollone, Jan; Lebonnois, Sébastien; Guerlet, Sandrine

2017-04-01

Titan's 3-dimensional Global Climate Model developed at the Institute Pierre-Simon Laplace has already demonstrated its efficiency to reproduce and interpret many features of the Saturnian moon's climate (e.g. Lebonnois et al., 2012). However, it suffered from limits at the top of the model, with temperatures far warmer than the observations and no stratopause simulated. To interpret Cassini's overall observations of seasonal effects in the middle atmosphere (e.g. Vinatier et al., 2015), a satisfying modelling of the temperature profile in this region was first required. Latest developments in the GCM now enable a correct modelling of the temperature profile in the middle atmosphere. In particular, a new, more flexible, radiative transfer scheme based on correlated-k method has been set up, using up-to-date spectroscopic data. Special emphasis is put on the too warm upper stratospheric temperatures in the former model that were due to the absence of the infrared ν4 methane line (7.7 μm) in the radiative transfer. While it was usually neglected in the tropospheric radiative models, this line has a strong cooling effect in Titan's stratospheric conditions and cannot be neglected. In this new version of the GCM, the microphysical model is temporarily switched off and we use a mean profile for haze opacity (Lavvas et al., 2010). The circulation in the middle atmosphere is significantly improved by this new radiative transfer. The new 3-D simulations also show an interesting feature in the modeled vertical profile of the zonal wind as the minimum in low stratosphere is now closer to the observations. Works in progress such as the vertical extension and the computation of the radiative effect of the seasonal variations of trace components will also be presented. - Lavvas P. et al., 2010. Titan's vertical aerosol structure at the Huygens landing site: Constraints on particle size, density, charge, and refractive index. Icarus 210, 832-842. - Lebonnois S. et al., 2012. Titan Global Climate Model: new 3-dimensional version of the IPSL Titan GCM. Icarus 218, 707-722. - Vinatier S. et al., 2015. Seasonal variations in Titan's middle atmosphere during the northern spring derived from Cassini/CIRS observations. Icarus 250, 95-115.

[Factors affecting the clinical pregnancy rate in an in vitro fertilization and embryo transfer program].

PubMed

Zhang, L; Wei, Z; Liu, P

1998-12-01

To analyze the various factors in an in vitro fertilization and embryo transfer (IVF-ET) program which may affect the clinical pregnacy rate. A retrospective study was done on 559 IVF-ET cycles from 1992-Nov. 1995. The indication for treatment was bilateral tubal blockage. The chi 2 analysis of single factor variants with SPSS-PC + V3.0 was used for statistics. The overall clinical pregnancy rate in 559 cycles was 21.6%. The cause of tubal blockage due to tuberculoses consisted of 28.4%, and 34.9% of secondary sterility had the history of artificial abortion. The changes of environment, the different causes of tubal blockage, the history of previous intrauterine pregnancy did not affect the clinical pregnancy rate. When the number of embryos transferred increased to 5, the clinical pregnancy rate was highest 32.5%. The cumulative embryo score or embryo quality was related significantly with clinical pregnancy rate. The number and quality of embryos transferred are important factors affecting the clinical pregnancy rate. However, measures to prevent high-order multiple pregnancy and studies on the survival potential of embryos besides their morphology should be emphasized.

Does gravidity influence the success of in vitro fertilization-embryo transfer cycles?

PubMed

Rabinson, Jacob; Bar-Hava, Itai; Meltcer, Simion; Zohav, Efraim; Anteby, Eyal; Orvieto, Raoul

2006-04-01

To evaluate the influence of gravidity on the results of in vitro fertilization (IVF)-embryo transfer (ET) cycles. All consecutive women aged <35 years admitted to our IVF unit from January 2002 to December 2004 were enrolled in the study. Only patients undergoing one of their first three IVF cycle attempts were included. Gravidity, ovarian stimulation characteristics, number of oocytes retrieved, number of embryo transferred and clinical pregnancy rate were assessed. Three hundred and forty-two consecutive IVF cycles were evaluated. One hundred and sixty-one cycles were from nulligravidas and 181 from women with a history of at least one previous clinical pregnancy. Forty-eight (29.8%) clinical pregnancies were observed in the nulligravida group and 56 (30.9%) in the gravida group. There were no differences between nulligravidas and gravidas in causes of infertility, length of ovarian stimulation, peak estradiol and progesterone levels, number of oocytes retrieved, fertilization rate and number of embryos transferred. Gravidas were significantly older (30.4 vs. 27.6 years, p < 0.001) and used more gonadotropin ampoules (36.1 vs. 31.8, p < 0.004) compared with the nulligravidas. Patient gravidity has no influence on the likelihood of achieving pregnancy in IVF-ET cycles.

Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).

PubMed

Riddlestone, Ian M; Rajabi, Nasir A; Lowe, John P; Mahon, Mary F; Macgregor, Stuart A; Whittlesey, Michael K

2016-09-07

Reaction of [Ru(IPr)2(CO)H]BAr(F)4 with ZnEt2 forms the heterobimetallic species [Ru(IPr)2(CO)ZnEt]BAr(F)4 (2), which features an unsupported Ru-Zn bond. 2 reacts with H2 to give [Ru(IPr)2(CO)(η(2)-H2)(H)2ZnEt]BAr(F)4 (3) and [Ru(IPr)2(CO)(H)2ZnEt]BAr(F)4 (4). DFT calculations indicate that H2 activation at 2 proceeds via oxidative cleavage at Ru with concomitant hydride transfer to Zn. 2 can also activate hydridic E-H bonds (E = B, Si), and computed mechanisms for the facile H/H exchange processes observed in 3 and 4 are presented.

The status of assisted reproductive technology in Korea in 2012.

PubMed

Lee, Gyoung Hoon; Song, Hyun Jin; Choi, Young Min; Han, Hyuck Dong

2017-03-01

This study was designed to report the status of assisted reproductive technology (ART) therapy in South Korea between January 1, 2012 and December 31, 2012. A localized online survey, originally developed by the International Committee Monitoring Assisted Reproductive Technologies, was first launched and provided to all available ART centers via email in 2015. Fresh embryo transfer (FET) cases were categorized as standard in vitro fertilization, intracytoplasmic sperm injection (ICSI), or half-ICSI. Thawed embryo transfer (TET) and other related procedures, including surgical sperm retrieval, were surveyed. Data from 33,956 ovum pick-up procedures were provided by 75 clinics in 2012. Of the 33,088 cycles in which ovums were retrieved, a complete transfer was performed in 90.5% (29,932 cycles). In addition, 10,079 FET cycles were confirmed to have resulted in clinical pregnancy, representing a pregnancy rate of 30.5% per ovum pick-up and 33.7% per ET. The most common number of embryos transferred in FET was 2 (41.6%), followed by 3 (34.0%), and non-elective single ETs (10.0%). Of the 10,404 TET cycles in which transfer was completed, 3,760 clinical pregnancies (36.1%) were confirmed by ultrasonography. The overall clinical pregnancy rate for FET and TET cycles in 2012 was higher than in 2011 (33.7% vs. 33.2% and 36.1% vs. 31.1%, respectively). The most common number of embryos transferred in FET cycles was 2, unlike in 2011.

The status of assisted reproductive technology in Korea in 2012

PubMed Central

Lee, Gyoung Hoon; Song, Hyun Jin; Han, Hyuck Dong

2017-01-01

Objective This study was designed to report the status of assisted reproductive technology (ART) therapy in South Korea between January 1, 2012 and December 31, 2012. Methods A localized online survey, originally developed by the International Committee Monitoring Assisted Reproductive Technologies, was first launched and provided to all available ART centers via email in 2015. Fresh embryo transfer (FET) cases were categorized as standard in vitro fertilization, intracytoplasmic sperm injection (ICSI), or half-ICSI. Thawed embryo transfer (TET) and other related procedures, including surgical sperm retrieval, were surveyed. Results Data from 33,956 ovum pick-up procedures were provided by 75 clinics in 2012. Of the 33,088 cycles in which ovums were retrieved, a complete transfer was performed in 90.5% (29,932 cycles). In addition, 10,079 FET cycles were confirmed to have resulted in clinical pregnancy, representing a pregnancy rate of 30.5% per ovum pick-up and 33.7% per ET. The most common number of embryos transferred in FET was 2 (41.6%), followed by 3 (34.0%), and non-elective single ETs (10.0%). Of the 10,404 TET cycles in which transfer was completed, 3,760 clinical pregnancies (36.1%) were confirmed by ultrasonography. Conclusion The overall clinical pregnancy rate for FET and TET cycles in 2012 was higher than in 2011 (33.7% vs. 33.2% and 36.1% vs. 31.1%, respectively). The most common number of embryos transferred in FET cycles was 2, unlike in 2011. PMID:28428944

A mechanistic model of heat transfer for gas-liquid flow in vertical wellbore annuli.

PubMed

Yin, Bang-Tang; Li, Xiang-Fang; Liu, Gang

2018-01-01

The most prominent aspect of multiphase flow is the variation in the physical distribution of the phases in the flow conduit known as the flow pattern. Several different flow patterns can exist under different flow conditions which have significant effects on liquid holdup, pressure gradient and heat transfer. Gas-liquid two-phase flow in an annulus can be found in a variety of practical situations. In high rate oil and gas production, it may be beneficial to flow fluids vertically through the annulus configuration between well tubing and casing. The flow patterns in annuli are different from pipe flow. There are both casing and tubing liquid films in slug flow and annular flow in the annulus. Multiphase heat transfer depends on the hydrodynamic behavior of the flow. There are very limited research results that can be found in the open literature for multiphase heat transfer in wellbore annuli. A mechanistic model of multiphase heat transfer is developed for different flow patterns of upward gas-liquid flow in vertical annuli. The required local flow parameters are predicted by use of the hydraulic model of steady-state multiphase flow in wellbore annuli recently developed by Yin et al. The modified heat-transfer model for single gas or liquid flow is verified by comparison with Manabe's experimental results. For different flow patterns, it is compared with modified unified Zhang et al. model based on representative diameters.

Research Advances on Radiation Transfer Modeling and Inversion for Multi-scale Land Surface Remote Sensing

NASA Astrophysics Data System (ADS)

Liu, Q.; Li, J.; Du, Y.; Wen, J.; Zhong, B.; Wang, K.

2011-12-01

As the remote sensing data accumulating, it is a challenge and significant issue how to generate high accurate and consistent land surface parameter product from the multi source remote observation and the radiation transfer modeling and inversion methodology are the theoretical bases. In this paper, recent research advances and unresolved issues are presented. At first, after a general overview, recent research advances on multi-scale remote sensing radiation transfer modeling are presented, including leaf spectrum model, vegetation canopy BRDF models, directional thermal infrared emission models, rugged mountains area radiation models, and kernel driven models etc. Then, new methodologies on land surface parameters inversion based on multi-source remote sensing data are proposed, taking the land surface Albedo, leaf area index, temperature/emissivity, and surface net radiation as examples. A new synthetic land surface parameter quantitative remote sensing product generation system is suggested and the software system prototype will be demonstrated. At last, multi-scale field experiment campaigns, such as the field campaigns in Gansu and Beijing, China are introduced briefly. The ground based, tower based, and airborne multi-angular measurement system have been built to measure the directional reflectance, emission and scattering characteristics from visible, near infrared, thermal infrared and microwave bands for model validation and calibration. The remote sensing pixel scale "true value" measurement strategy have been designed to gain the ground "true value" of LST, ALBEDO, LAI, soil moisture and ET etc. at 1-km2 for remote sensing product validation.

Comet 67P/Churyumov-Gerasimenko Surface Composition as a Playground for Radiative Transfer Modeling and Laboratory Measurements: an international ISSI team

NASA Astrophysics Data System (ADS)

Stephan, K.; Ciarniello, M.; Beck, P.; Filacchione, G.; Moroz, L.; Pilorget, C.; Pommerol, A.; Quirico, E.; Raponi, A.; Schröder, S.; Kappel, D.; Vinogradoff, V.; Istiqomah, I.; Rousseau, B.

2017-12-01

Remote sensing observations at visible-infrared (VIS-IR) wavelengths of the nucleus of comet 67P/Churyumov-Gerasimenko performed by VIRTIS (Coradini et al., 2007) aboard the Rosetta mission have revealed a surface ubiquitously covered by low-albedo material (Capaccioni et al., 2015; Ciarniello et al., 2015), characterized by the presence of refractory and semi-volatile organics and dark opaque phases (Capaccioni et al., 2015; Quirico et al., 2016). However, a quantitative determination of the physical properties (grain size, porosity) and chemical composition of the surface regolith, from spectrophotometric analysis, is still missing. This subject will be investigated within an international team hosted by ISSI (International Space Science Institute), taking advantage of available and dedicated laboratory reflectance measurements on cometary analogue samples and radiative transfer models (Hapke, 2012; Shkuratov et al., 1999; Monte Carlo ray-tracing), applied to Rosetta spectrophotometric observations of the nucleus. The convergence between models and measurements will allow us to provide a thorough characterization of 67P/Churyumov-Gerasimenko surface. At the same time, the comparison of theoretical predictions with results from laboratory reflectance spectroscopy on powders of analog materials give us the possibility to constrain the capability of the models to characterize their composition (endmember abundances and mixing modalities) and physical properties. We report about the state of the art of laboratory reflectance spectroscopy and spectral modeling applied to 67P/Churyumov-Gerasimenko VIS-IR spectrum as well as preliminary results of the team activity and planned future work. Acknowledgements: the team thanks ISSI-Switzerland for the logistic and financial support.

A plasma amplifier to combine multiple beams at NIF

NASA Astrophysics Data System (ADS)

Kirkwood, R. K.; Turnbull, D. P.; Chapman, T.; Wilks, S. C.; Rosen, M. D.; London, R. A.; Pickworth, L. A.; Colaitis, A.; Dunlop, W. H.; Poole, P.; Moody, J. D.; Strozzi, D. J.; Michel, P. A.; Divol, L.; Landen, O. L.; MacGowan, B. J.; Van Wonterghem, B. M.; Fournier, K. B.; Blue, B. E.

2018-05-01

Combining laser beams in a plasma is enabled by seeded stimulated Brillouin scattering which allows cross-beam energy transfer (CBET) to occur and re-distributes the energy between beams that cross with different incident angles and small differences in wavelength [Kirkwood et al. Phys. Plasmas 4, 1800 (1997)]. Indirect-drive implosions at the National Ignition Facility (NIF) [Haynam et al. Appl. Opt. 46, 3276-3303 (2007)] have controlled drive symmetry by using plasma amplifiers to transfer energy between beams [Kirkwood et al., Plasma Phys. Controlled Fusion 55, 103001 (2013); Lindl et al., Phys. Plasmas 21, 020501 (2014); and Hurricane et al. Nature 506, 343-348 (2014)]. In this work, we show that the existing models are well enough validated by experiments to allow a design of a plasma beam combiner that, once optimized, is expected to produce a pulse of light in a single beam with the energy greatly enhanced over existing sources. The scheme combines up to 61 NIF beams with 120 kJ of available energy into a single f/20 beam with a 1 ns pulse duration and a 351 nm wavelength by both resonant and off-resonance CBET. Initial experiments are also described that have already succeeded in producing a 4 kJ, 1 ns pulse in a single beam by combination of up to eight incident pump beams containing <1.1 kJ/beam, which are maintained near resonance for CBET in a plasma that is formed by 60 pre-heating beams [Kirkwood et al., Nat. Phys. 14, 80 (2018)].

The effects of superovulation of donor sows on ovarian response and embryo development after nonsurgical deep-uterine embryo transfer.

PubMed

Angel, M A; Gil, M A; Cuello, C; Sanchez-Osorio, J; Gomis, J; Parrilla, I; Vila, J; Colina, I; Diaz, M; Reixach, J; Vazquez, J L; Vazquez, J M; Roca, J; Martinez, E A

2014-04-01

This study aimed to evaluate the effectiveness of superovulation protocols in improving the efficiency of embryo donors for porcine nonsurgical deep-uterine (NsDU) embryo transfer (ET) programs. After weaning (24 hours), purebred Duroc sows (2-6 parity) were treated with 1000 IU (n = 27) or 1500 IU (n = 27) of eCG. Only sows with clear signs of estrus 4 to 72 hours after eCG administration were treated with 750 IU hCG at the onset of estrus. Nonhormonally treated postweaning estrus sows (n = 36) were used as a control. Sows were inseminated and subjected to laparotomy on Days 5 to 6 (Day 0 = onset of estrus). Three sows (11.1%) treated with the highest dosage of eCG presented with polycystic ovaries without signs of ovulation. The remaining sows from nonsuperovulated and superovulated groups were all pregnant, with no differences in fertilization rates among groups. The number of CLs and viable embryos was higher (P < 0.05) in the superovulated groups compared with the controls and increased (P < 0.05) with increasing doses of eCG. There were no differences among groups in the number of oocytes and/or degenerated embryos. The number of transferable embryos (morulae and unhatched blastocysts) obtained in pregnant sows was higher (P < 0.05) in the superovulated groups than in the control group. In all groups, there was a significant correlation between the number of CLs and the number of viable and transferable embryos, but the number of CLs and the number of oocytes and/or degenerated embryos were not correlated. A total of 46 NsDU ETs were performed in nonhormonally treated recipient sows, with embryos (30 embryos per transfer) recovered from the 1000-IU eCG, 1500-IU eCG, and control groups. In total, pregnancy and farrowing rates were 75.1% and 73.2%, respectively, with a litter size of 9.4 ± 0.6 piglets born, of which 8.8 ± 0.5 were born alive. There were no differences for any of the reproductive parameters evaluated among groups. In conclusion, our results demonstrated the efficiency of eCG superovulation treatments in decreasing the donor-to-recipient ratio. Compared with nonsuperovulated sows, the number of transferable embryos was increased in superovulated sows without affecting their quality and in vivo capacity to develop to term after transfer. The results from this study also demonstrate the effectiveness of the NsDU ET procedure used, making possible the commercial use of ET technology by the pig industry. Copyright © 2014 Elsevier Inc. All rights reserved.

Driving magnetization dynamics with interfacial spin-orbit torques (Conference Presentation)

NASA Astrophysics Data System (ADS)

Hoffmann, Axel F.; Zhang, Wei; Sklenar, Joseph; Jungfleisch, Matthias Benjamin; Jiang, Wanjun; Hsu, Bo; Xiao, Jiao; Pearson, John E.; Fradin, Frank Y.; Liu, Yaohua; Ketterson, John B.; Yang, Zheng

2016-10-01

Bulk spin Hall effects are well know to provide spin orbit torques, which can be used to drive magnetization dynamics [1]. But one of the reoccurring questions is to what extend spin orbit torques may also originate at the interface between materials with strong spin orbit coupling and the ferromagnets. Using spin torque driven ferromagnetic resonance we show for two systems, where interfacial torques dominate, that they can be large enough to be practically useful. First, we show spin transfer torque driven magnetization dynamics based on Rashba-Edelstein effects at the Bi/Ag interface [2]. Second, we will show that combining permalloy with monolayer MoS2 gives rise to sizable spin-orbit torques. Given the monolayer nature of MoS2 it is clear that bilk spin Hall effects are negligible and therefore the spin transfer torques are completely interfacial in nature. Interestingly the spin orbit torques with MoS2 show a distinct dependence on the orientation of the magnetization in the permalloy, and become strongly enhanced, when the magnetization is pointing perpendicular to the interfacial plane. This work was supported by the U.S. Department of Energy, Office of Science, Materials Science and Engineering Division. [1] A. Hoffmann, IEEE Trans. Mag. 49, 5172 (2013). [2] W. Zhang et al., J. Appl. Phys. 117, 17C727 (2015). [3] M. B. Jungfleisch et al., arXiv:1508.01410.

Formation and characterization of a reactive chromium(v)–oxo complex: mechanistic insight into hydrogen-atom transfer reactions† †Electronic supplementary information (ESI) available: Crystallographic data of 2 and 3 in CIF, ESI-TOF-MS, UV-vis, ESR, DFT calculations, 1H NMR, and GC-MS data. CCDC 1017025 and 1017026. See DOI: 10.1039/c4sc02285h Click here for additional data file.

PubMed Central

Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari

2015-01-01

A mononuclear Cr(v)–oxo complex, [CrV(O)(6-COO–-tpa)](BF4)2 (1; 6-COO–-tpa = N,N-bis(2-pyridylmethyl)-N-(6-carboxylato-2-pyridylmethyl)amine) was prepared through the reaction of a Cr(iii) precursor complex with iodosylbenzene as an oxidant. Characterization of 1 was achieved using ESI-MS spectrometry, electron paramagnetic resonance, UV-vis, and resonance Raman spectroscopies. The reduction potential (E red) of 1 was determined to be 1.23 V vs. SCE in acetonitrile based on analysis of the electron-transfer (ET) equilibrium between 1 and a one-electron donor, [RuII(bpy)3]2+ (bpy = 2,2′-bipyridine). The reorganization energy (λ) of 1 was also determined to be 1.03 eV in ET reactions from phenol derivatives to 1 on the basis of the Marcus theory of ET. The smaller λ value in comparison with that of an Fe(iv)–oxo complex (2.37 eV) is caused by the small structural change during ET due to the dπ character of the electron-accepting LUMO of 1. When benzyl alcohol derivatives (R-BA) with different oxidation potentials were employed as substrates, corresponding aldehydes were obtained as the 2e–-oxidized products in moderate yields as determined from 1H NMR and GC-MS measurements. One-step UV-vis spectral changes were observed in the course of the oxidation reactions of BA derivatives by 1 and a kinetic isotope effect (KIE) was observed in the oxidation reactions for deuterated BA derivatives at the benzylic position as substrates. These results indicate that the rate-limiting step is a concerted proton-coupled electron transfer (PCET) from substrate to 1. In sharp contrast, in the oxidation of trimethoxy-BA (E ox = 1.22 V) by 1, trimethoxy-BA radical cation was observed by UV-vis spectroscopy. Thus, it was revealed that the mechanism of the oxidation reaction changed from one-step PCET to stepwise ET–proton transfer (ET/PT), depending on the redox potentials of R-BA. PMID:29560181

Direct Measurement of Daily Evapotranspiration From a Deciduous Forest Using a Superconducting Gravimeter

NASA Astrophysics Data System (ADS)

Van Camp, M. J.; de Viron, O.; Pajot-Métivier, G.; Cazenave, F.; Watlet, A.; Dassargues, A.; Vanclooster, M.

2015-12-01

The conversion of liquid water into water vapor strongly controls the energy transfer between the Earth and the atmosphere, and plays one of the most important roles in the hydrological cycle. This process, called evapotranspiration (ET), deeply constraints the amount of green water in the total global water balance. However, assessing the ET from terrestrial ecosystems remains a key challenge in hydrology. We show that the liquid water mass losses can be directly inferred from continuous gravity measurements: as water evaporates and transpires from terrestrial ecosystems, the mass distribution varies through the system, changing its gravity field. Using continuous superconducting gravity measurements, we were able to identify a daily changes in gravity at the level of, or smaller than 10-10 g per day. This corresponds to 2.0 mm of water over an area of 50 ha.The strength of this method is its ability to ensure a direct, traceable and continuous monitoring of actual ET for years at the mesoscale (~50 ha) with a precision of a few tenths of mm of water. This paves the way for the development of the method in different land-use, land-cover and geological contexts, using superconducting and coming quantum gravimeters.

Testing time-dependent density functional theory with depopulated molecular orbitals for predicting electronic excitation energies of valence, Rydberg, and charge-transfer states and potential energies near a conical intersection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Shaohong L.; Truhlar, Donald G., E-mail: truhlar@umn.edu

2014-09-14

Kohn-Sham (KS) time-dependent density functional theory (TDDFT) with most exchange-correlation functionals is well known to systematically underestimate the excitation energies of Rydberg and charge-transfer excited states of atomic and molecular systems. To improve the description of Rydberg states within the KS TDDFT framework, Gaiduk et al. [Phys. Rev. Lett. 108, 253005 (2012)] proposed a scheme that may be called HOMO depopulation. In this study, we tested this scheme on an extensive dataset of valence and Rydberg excitation energies of various atoms, ions, and molecules. It is also tested on a charge-transfer excitation of NH{sub 3}-F{sub 2} and on the potentialmore » energy curves of NH{sub 3} near a conical intersection. We found that the method can indeed significantly improve the accuracy of predicted Rydberg excitation energies while preserving reasonable accuracy for valence excitation energies. However, it does not appear to improve the description of charge-transfer excitations that are severely underestimated by standard KS TDDFT with conventional exchange-correlation functionals, nor does it perform appreciably better than standard TDDFT for the calculation of potential energy surfaces.« less

CRISPR-Cas-Mediated Phage Resistance Enhances Horizontal Gene Transfer by Transduction.

PubMed

Watson, Bridget N J; Staals, Raymond H J; Fineran, Peter C

2018-02-13

A powerful contributor to prokaryotic evolution is horizontal gene transfer (HGT) through transformation, conjugation, and transduction, which can be advantageous, neutral, or detrimental to fitness. Bacteria and archaea control HGT and phage infection through CRISPR-Cas (clustered regularly interspaced short palindromic repeats-CRISPR-associated proteins) adaptive immunity. Although the benefits of resisting phage infection are evident, this can come at a cost of inhibiting the acquisition of other beneficial genes through HGT. Despite the ability of CRISPR-Cas to limit HGT through conjugation and transformation, its role in transduction is largely overlooked. Transduction is the phage-mediated transfer of bacterial DNA between cells and arguably has the greatest impact on HGT. We demonstrate that in Pectobacterium atrosepticum , CRISPR-Cas can inhibit the transduction of plasmids and chromosomal loci. In addition, we detected phage-mediated transfer of a large plant pathogenicity genomic island and show that CRISPR-Cas can inhibit its transduction. Despite these inhibitory effects of CRISPR-Cas on transduction, its more common role in phage resistance promotes rather than diminishes HGT via transduction by protecting bacteria from phage infection. This protective effect can also increase transduction of phage-sensitive members of mixed populations. CRISPR-Cas systems themselves display evidence of HGT, but little is known about their lateral dissemination between bacteria and whether transduction can contribute. We show that, through transduction, bacteria can acquire an entire chromosomal CRISPR-Cas system, including cas genes and phage-targeting spacers. We propose that the positive effect of CRISPR-Cas phage immunity on enhancing transduction surpasses the rarer cases where gene flow by transduction is restricted. IMPORTANCE The generation of genetic diversity through acquisition of DNA is a powerful contributor to microbial evolution and occurs through transformation, conjugation, and transduction. Of these, transduction, the phage-mediated transfer of bacterial DNA, is arguably the major route for genetic exchange. CRISPR-Cas adaptive immune systems control gene transfer by conjugation and transformation, but transduction has been mostly overlooked. Our results indicate that CRISPR-Cas can impede, but typically enhances the transduction of plasmids, chromosomal genes, and pathogenicity islands. By limiting wild-type phage replication, CRISPR-Cas immunity increases transduction in both phage-resistant and -sensitive members of mixed populations. Furthermore, we demonstrate mobilization of a chromosomal CRISPR-Cas system containing phage-targeting spacers by generalized transduction, which might partly account for the uneven distribution of these systems in nature. Overall, the ability of CRISPR-Cas to promote transduction reveals an unexpected impact of adaptive immunity on horizontal gene transfer, with broader implications for microbial evolution. Copyright © 2018 Watson et al.

Coulomb stress transfer and tectonic loading preceding the 2002 Denali fault earthquake

USGS Publications Warehouse

Bufe, Charles G.

2006-01-01

Pre-2002 tectonic loading and Coulomb stress transfer are modeled along the rupture zone of the M 7.9 Denali fault earthquake (DFE) and on adjacent segments of the right-lateral Denali–Totschunda fault system in central Alaska, using a three-dimensional boundary-element program. The segments modeled closely follow, for about 95°, the arc of a circle of radius 375 km centered on an inferred asperity near the northeastern end of the intersection of the Patton Bay fault with the Alaskan megathrust under Prince William Sound. The loading model includes slip of 6 mm/yr below 12 km along the fault system, consistent with rotation of the Wrangell block about the asperity at a rate of about 1°/m.y. as well as slip of the Pacific plate at 5 cm/yr at depth along the Fairweather–Queen Charlotte transform fault system and on the Alaska megathrust. The model is consistent with most available pre-2002 Global Positioning System (GPS) displacement rate data. Coulomb stresses induced on the Denali–Totschunda fault system (locked above 12 km) by slip at depth and by transfer from the M 9.2 Prince William Sound earthquake of 1964 dominated the changing Coulomb stress distribution along the fault. The combination of loading (∼70–85%) and coseismic stress transfer from the great 1964 earthquake (∼15–30%) were the principal post-1900 stress factors building toward strike-slip failure of the northern Denali and Totschunda segments in the M 7.9 earthquake of November 2002. Postseismic stresses transferred from the 1964 earthquake may also have been a significant factor. The M 7.2–7.4 Delta River earthquake of 1912 (Carver et al., 2004) may have delayed or advanced the timing of the DFE, depending on the details and location of its rupture. The initial subevent of the 2002 DFE earthquake was on the 40-km Susitna Glacier thrust fault at the western end of the Denali fault rupture. The Coulomb stress transferred from the 1964 earthquake moved the Susitna Glacier thrust fault uniformly away from thrust failure by about 100 kPa. The initiation of the Denali fault earthquake was advanced by transfer of 30–50 kPa of positive Coulomb stress to the Susitna Glacier fault (Anderson and Ji, 2003) by the nearby M 6.7 Nenana Mountain foreshock of 23 October 2002. The regional tectonic loading model used here suggests that the Semidi (Alaska Peninsula) segment of the megathrust that ruptured in 1938 (M 8.2) may be reloaded and approaching failure.

Structural investigation of cellobiose dehydrogenase IIA: Insights from small angle scattering into intra- and intermolecular electron transfer mechanisms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bodenheimer, Annette M.; O'Dell, William B.; Oliver, Ryan C.

Background: Cellobiose dehydrogenases have gained interest due to their potential applications in sectors from biofuel production to biomedical devices. The CDHIIA variant is comprised of a cytochrome domain (CYT), a dehydrogenase domain (DH), and a carbohydrate-binding module (CBM) that are connected by two flexible linkers. Upon cellobiose oxidation at the DH, intramolecular electron transfer (IaET) occurs from the DH to the CYT. In vivo, CDHIIA CYT subsequently performs intermolecular electron transfer (IeET) to a lytic polysaccharide monooxygenase (LPMO). The relevant solution-state CDH domain conformations for IaET and IeET have not been fully characterized.Methods: Small-angle X-ray and neutron scattering measurements ofmore » oxidized CDHIIA from Myriococcum thermophilum and Neurospora crassa were performed to investigate the structural landscape explored in solution by MtCDHIIA and NcCDHIIA in response to cations, pH, and the presence of an electron acceptor, LPMO9D from N. crassa.Results: The scattering data complemented by modeling show that, under oxidizing conditions, MtCDHIIA undergoes global conformational rearrangement in the presence of Ca2+. Oxidized NcCDHIIA exhibits conformational changes upon pH variation and, in the presence of NcLPMO9D, primarily adopts a compact conformation.Conclusions: These results demonstrate different conformational responses of oxidized MtCDHIIA and NcCDHIIA to changes in environment. The results also reveal a shift in the oxidized NcCDHIIA conformational landscape toward interdomain compaction upon co-incubation with NcLPMO9D.General significance: The present study is the first report on the structural landscapes explored in solution by oxidized cellobiose dehydrogenases under various cation concentrations, pH conditions and in the presence of an electron-accepting LPMO.« less

Structural investigation of cellobiose dehydrogenase IIA: Insights from small angle scattering into intra- and intermolecular electron transfer mechanisms

DOE PAGES

Bodenheimer, Annette M.; O'Dell, William B.; Oliver, Ryan C.; ...

2018-01-31

Background: Cellobiose dehydrogenases have gained interest due to their potential applications in sectors from biofuel production to biomedical devices. The CDHIIA variant is comprised of a cytochrome domain (CYT), a dehydrogenase domain (DH), and a carbohydrate-binding module (CBM) that are connected by two flexible linkers. Upon cellobiose oxidation at the DH, intramolecular electron transfer (IaET) occurs from the DH to the CYT. In vivo, CDHIIA CYT subsequently performs intermolecular electron transfer (IeET) to a lytic polysaccharide monooxygenase (LPMO). The relevant solution-state CDH domain conformations for IaET and IeET have not been fully characterized.Methods: Small-angle X-ray and neutron scattering measurements ofmore » oxidized CDHIIA from Myriococcum thermophilum and Neurospora crassa were performed to investigate the structural landscape explored in solution by MtCDHIIA and NcCDHIIA in response to cations, pH, and the presence of an electron acceptor, LPMO9D from N. crassa.Results: The scattering data complemented by modeling show that, under oxidizing conditions, MtCDHIIA undergoes global conformational rearrangement in the presence of Ca2+. Oxidized NcCDHIIA exhibits conformational changes upon pH variation and, in the presence of NcLPMO9D, primarily adopts a compact conformation.Conclusions: These results demonstrate different conformational responses of oxidized MtCDHIIA and NcCDHIIA to changes in environment. The results also reveal a shift in the oxidized NcCDHIIA conformational landscape toward interdomain compaction upon co-incubation with NcLPMO9D.General significance: The present study is the first report on the structural landscapes explored in solution by oxidized cellobiose dehydrogenases under various cation concentrations, pH conditions and in the presence of an electron-accepting LPMO.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi Tao; Li Ying; Song Zhi

We show that a perfect quantum-state transmission can be realized through a spin chain possessing the commensurate structure of an energy spectrum, which is matched with the corresponding parity. As an exposition of the mirror inversion symmetry discovered by Albanese et al. (e-print quant-ph/0405029), the parity matched commensurability of the energy spectra helps us to present preengineered spin systems for quantum information transmission. Based on these theoretical analyses, we propose a protocol of near-perfect quantum-state transfer by using a ferromagnetic Heisenberg chain with uniform coupling constant, but an external parabolic magnetic field. The numerical results show that the initial Gaussianmore » wave packet in this system with optimal field distribution can be reshaped near perfectly over a longer distance.« less

Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hahn, T., E-mail: torsten.hahn@physik.tu-freiberg.de; Liebing, S.; Kortus, J.

2015-12-14

The correction of the self-interaction error that is inherent to all standard density functional theory calculations is an object of increasing interest. In this article, we apply the very recently developed Fermi-orbital based approach for the self-interaction correction [M. R. Pederson et al., J. Chem. Phys. 140, 121103 (2014) and M. R. Pederson, J. Chem. Phys. 142, 064112 (2015)] to a set of different molecular systems. Our study covers systems ranging from simple diatomic to large organic molecules. We focus our analysis on the direct estimation of the ionization potential from orbital eigenvalues. Further, we show that the Fermi orbitalmore » positions in structurally similar molecules appear to be transferable.« less

Analysis of Aerosol Optical and Physical Properties and Their Impact on Surface Radiative Energy Budget and Atmospheric Thermodynamics during Aerose Campaigns

NASA Astrophysics Data System (ADS)

Flores, A.; Joseph, E.; Nalli, N. R.; Morris, V.; Aerose Team

2010-12-01

Western Africa is one of the largest sources of mineral dust aerosol in the world. With uncertainty of how dust impacts on weather and climate, the trans-Atlantic Aerosols and Ocean Science Expeditions (AEROSE) are good opportunities to address this issue. Recent studies have suggested that the Saharan air layer (SAL) can alter the dynamics, microphysics and thermodynamics of tropical systems (e.g., Dunion and Velden 2004), cools the sea surface temperature (e.g., Lau and Kim 2007), suppress deep convection (e.g., Mapes and Zuidema 1996; Wong and Dessler 2005), and alter the radiation balance of the atmosphere (e.g., Slingo et al. 2006). AEROSE constitutes a comprehensive approach, in terms of both measurements and modeling, for gaining understanding of the impacts of long-range transport of mineral dust in the tropical Atlantic (Morris et al. 2006; Nalli et al. 2010). Sounding data from AEROSE shows a well-maintained and static stability of the SAL well across the Atlantic (Nalli et al. 2005). Results of the current study may shed light on the role of dust on the thermodynamics of the SAL and its impact on sea surface temperature. This work will involve using radiative transfer models for calculating total heating rates during heavy dusty days encountered during AEROSE campaigns and analysis of the physical properties of the aerosols.

Neuropeptides affecting the transfer of juvenile hormones from males to females during mating in Spodoptera frugiperda.

PubMed

Hassanien, Intisar T E; Grötzner, Manuela; Meyering-Vos, Martina; Hoffmann, Klaus H

2014-07-01

In the polyandric moth, Spodopterafrugiperda, juvenile hormone (JH) is transferred from the male accessory reproductive glands (AG) to the female bursa copulatrix (BC) during copulation (see Hassanien et al., 2014). Here we used the RNA interference technique to study the role of allatoregulating neuropeptides in controlling the synthesis and transfer of JH during mating. Knockdown of S. frugiperda allatostatin C (Spofr-AS type C) in freshly emerged males leads to an accumulation of JH in the AG beyond that in the control and mating results in a higher transport of JH I and JH II into the female BC. Knockdown of S. frugiperda allatotropin 2 (Spofr-AT2) significantly reduces the amount of JH in the AG as well as its transfer into the female BC during copulation. Knockdown of S. frugiperda allatostatin A (Spofr-AS type A) and S. frugiperda allatotropin (Spofr-AT; Hassanien et al., 2014) only slightly affects the accumulation of JH in the AG and its transfer from the male to the female. We conclude that Spofr-AS type C and Spofr-AT2 act as true allatostatin and true allatotropin, respectively, on the synthesis of JH I and JH II in the male AG. Moreover, both peptides seem to control the synthesis of JH III in the corpora allata of adult males and its release into the hemolymph. Copyright © 2014 Elsevier Ltd. All rights reserved.

Using the Maximum Entropy Principle as a Unifying Theory Characterization and Sampling of Multi-Scaling Processes in Hydrometeorology

DTIC Science & Technology

2015-08-20

evapotranspiration (ET) over oceans may be significantly lower than previously thought. The MEP model parameterized turbulent transfer coefficients...fluxes, ocean freshwater fluxes, regional crop yield among others. An on-going study suggests that the global annual evapotranspiration (ET) over...Bras, Jingfeng Wang. A model of evapotranspiration based on the theory of maximum entropy production, Water Resources Research, (03 2011): 0. doi

Direct electronic communication at bio-interfaces assisted by layered-metal-hydroxide slab arrays with controlled nano-micro structures.

PubMed

An, Zhe; He, Jing

2011-10-28

The electronic transfer (eT) at bio-interfaces has been achieved by orientating 2D inorganic slabs in a regular arrangement with the slab ab-planes vertical to the electrode substrate. The eT rate is effectively promoted by tuning the nano-micro scale structures of perpendicular LDH arrays. This journal is © The Royal Society of Chemistry 2011

Fixed distance photoinduced electron transfer between Fe and Zn porphyrins encapsulated within the Zn HKUST-1 metal organic framework.

PubMed

Larsen, Randy W; Wojtas, Lukasz

2015-02-21

An attractive strategy for the development of photocatalytic metal organic framework (MOF) materials is to co-encapsulate a photoactive electron donor with a catalytic electron acceptor within the MOF. Here we report the co-encapsulation of both Zn(ii) tetrakis(tetra 4-sulphonatophenyl)porphyrin (Zn4SP) and Fe(iii) tetrakis(tetra 4-sulphonatophenyl)porphyrin (Fe4SP) into an HKUST-1 (Zn) MOF and demonstrate photoinduced electron transfer (ET) between the co-encapsulated guest. Photo-excitation of the Zn4SP results in fixed-distance inter-molecular ET between the encapsulated (3)Zn4SP and the Fe(iii)4SP as evident by the reduction in the encapsulated (3)Zn4SP lifetime from 890 μs (kobs = 1.1 × 10(3) s(-1)) to 83 μs (kobs = 1.2 × 10(4) s(-1)) in the presence of Fe4SP giving a kET ∼ 1.1 × 10(4) s(-1). The data are consistent with ET taking place between encapsulated porphyrins that are two cages apart in distance with a reorganizational energy of ∼1.65 eV, β = 1.25 and ΔG° = -0.97 eV (within a semi-classical Marcus theory framework).

Preparation, spectroscopic and thermal characterization of new charge-transfer complexes of ethidium bromide with π-acceptors. In vitro biological activity studies

NASA Astrophysics Data System (ADS)

Eldaroti, Hala H.; Gadir, Suad A.; Refat, Moamen S.; Adam, Abdel Majid A.

2013-05-01

Ethidium bromide (EtBr) is a strong DNA binder and has been widely used to probe DNA structure in drug-DNA and protein-DNA interaction. Four new charge-transfer (CT) complexes consisting of EtBr as donor and quinol (QL), picric acid (PA), tetracyanoquinodimethane (TCNQ) or dichlorodicyanobenzoquinone (DDQ) as acceptors, were synthesized and characterized by elemental analysis, electronic absorption, spectrophotometric titration, IR, Raman, 1H NMR and X-ray powder diffraction (XRD) techniques. The stoichiometry of these complexes was found to be 1:2 ratio and having the formula [(EtBr)(acceptor)]. The thermal stability of the synthesized CT complexes was investigated using thermogravimetric (TG) analyses, and the morphology and particle size of these complexes were obtained from scanning electron microscopy (SEM). The CT complexes were also tested for its antibacterial activity against two Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and two Gram-negative bacteria; Escherichia coli and Pseudomonas aeuroginosa strains by using Tetracycline as standard and antifungal property against Aspergillus flavus and Candida albicans by using amphotericin B as standard. The results were compared with the standard drugs and significant conclusions were obtained. The results indicated that the [(EtBr)(QL)2] complex had exerted excellent inhibitory activity against the growth of the tested bacterial strains.

On the Heat Transfer through a Solid Slab Heated Uniformly and Continuously on One of Its Surfaces

ERIC Educational Resources Information Center

Marin, E.; Lara-Bernal, A.; Calderon, A.; Delgado-Vasallo, O.

2011-01-01

Some peculiarities of the heat transfer through a sample that is heated by the superficial absorption of light energy under continuous uniform illumination are discussed. We explain, using a different approach to that presented in a recent article published in this journal (Salazar "et al" 2010 "Eur. J. Phys." 31 1053-9), that the front surface of…

Using Data Warehouses to extract knowledge from Agro-Hydrological simulations

NASA Astrophysics Data System (ADS)

Bouadi, Tassadit; Gascuel-Odoux, Chantal; Cordier, Marie-Odile; Quiniou, René; Moreau, Pierre

2013-04-01

In recent years, simulation models have been used more and more in hydrology to test the effect of scenarios and help stakeholders in decision making. Agro-hydrological models have oriented agricultural water management, by testing the effect of landscape structure and farming system changes on water and chemical emission in rivers. Such models generate a large amount of data while few of them, such as daily concentrations at the outlet of the catchment, or annual budgets regarding soil, water and atmosphere emissions, are stored and analyzed. Thus, a great amount of information is lost from the simulation process. This is due to the large volumes of simulated data, but also to the difficulties in analyzing and transforming the data in an usable information. In this talk we illustrate a data warehouse which has been built to store and manage simulation data coming from the agro-hydrological model TNT (Topography-based nitrogen transfer and transformations, (Beaujouan et al., 2002)). This model simulates the transfer and transformation of nitrogen in agricultural catchments. TNT was used over 10 years on the Yar catchment (western France), a 50 km2 square area which present a detailed data set and have to facing to environmental issue (coastal eutrophication). 44 output key simulated variables are stored at a daily time step, i.e, 8 GB of storage size, which allows the users to explore the N emission in space and time, to quantify all the processes of transfer and transformation regarding the cropping systems, their location within the catchment, the emission in water and atmosphere, and finally to get new knowledge and help in making specific and detailed decision in space and time. We present the dimensional modeling process of the Nitrogen in catchment data warehouse (i.e. the snowflake model). After identifying the set of multileveled dimensions with complex hierarchical structures and relationships among related dimension levels, we chose the snowflake model to design our agri-environmental data warehouse. The snowflake schema is required for flexible querying complex dimension relationships. We have designed the Nitrogen in catchment data warehouse using the open source Business Intelligence Platform Pentaho Version 3.5. We use the online analytical processing (OLAP) to access and exploit, intuitively and quickly, the multidimensional and aggregated data from the Nitrogen in catchment data warehouse. We illustrate how the data warehouse can be efficiently used to explore spatio-temporal dimensions and to discover new knowledge and enrich the exploitation level of simulations. We show how the OLAP tool can be used to provide the user with the ability to synthesize environmental information and to understand nitrates emission in surface water by using comparative, personalized views on historical data. To perform advanced analyses that aim to find meaningful patterns and relationships in the data, the Nitrogen in catchment data warehouse should be extended with data mining or information retrieval methods as Skyline queries (Bouadi et al., 2012). (Beaujouan et al., 2002) Beaujouan, V., Durand, P., Ruiz, L., Aurousseau, P., and Cotteret, G. (2002). A hydrological model dedicated to topography-based simulation of nitrogen transfer and transformation: rationale and application to the geomorphology denitrification relationship. Hydrological Processes, pages 493-507. (Bouadi et al., 2012) Bouadi, T., Cordier, M., and Quiniou, R. (2012). Incremental computation of skyline queries with dynamic preferences. In DEXA (1), pages 219-233.

Onset of damping in energetic heavy-ion interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kowalski, L.; Haustein, P.E.; Cumming, J.B.

1983-08-22

Measurements of longitudinal momenta transferred to mass-identified products of the fragmentation of Cu by /sup 12/C ions give clear evidence for a change in reaction mechanism between 22 and 84 MeV/u. Results at 84 MeV/u are generally consistent with peripheral interactions. However, at 22 MeV/u large momentum transfers observed for near-target products suggest that strongly damped processes have become important. Limits to momentum transfer of the type reported by Galin et al. are shown to arise in a natural way from this transition.

Stress distribution along the Fairweather-Queen Charlotte transform fault system

USGS Publications Warehouse

Bufe, C.G.

2005-01-01

Tectonic loading and Coulomb stress transfer are modeled along the right-lateral Fairweather-Queen Charlotte transform fault system using a threedimensional boundary element program. The loading model includes slip below 12 km along the transform as well as motion of the Pacific plate, and it is consistent with most available Global Positioning System (GPS) displacement rate data. Coulomb stress transfer is shown to have been a weak contributing factor in the failure of the southeastern (Sitka) segment of the Fairweather fault in 1972, hastening the occurrence of the earthquake by only about 8 months. Failure of the Sitka segment was enhanced by a combination of cumulative loading from below (95%) by slip of about 5 cm/yr since 1848, by stress transfer (about 1%) from major earthquakes on straddling segments of the Queen Charlotte fault (M 8.1 in 1949) and the Fairweather fault (M 7.8 in 1958), and by viscoelastic relaxation (about 4%) following the great 1964 Alaska earthquake, modeled by Pollitz et al. (1998). Cumulative stress increases in excess of 7 MPa at a depth of 8 km are projected prior to the M 7.6 earthquake. Coulomb stress transferred by the rupture of the great M 9.2 Alaska earthquake in 1964 (Bufe, 2004a) also hastened the occurrence of the 1972 event, but only by a month or two. Continued tectonic loading over the last half century and stress transfer from the M 7.6 Sitka event has resulted in restressing of the adjacent segments by about 3 MPa at 8 km depth. The occurrence of a M 6.8 earthquake on the northwestern part of the Queen Charlotte fault on 28 June 2004, the largest since 1949, also suggests increased stress. The Cape St. James segment of the fault immediately southeast of the 1949 Queen Charlotte rupture has accumulated about 6 MPa at 8 km through loading since 1900 and stress transfer in 1949. A continued rise in earthquake hazard is indicated for the Alaska panhandle and Queen Charlotte Islands region in the decades ahead as the potential for damaging earthquakes increases.

An amperometric bienzymatic cholesterol biosensor based on functionalized graphene modified electrode and its electrocatalytic activity towards total cholesterol determination.

PubMed

Manjunatha, Revanasiddappa; Shivappa Suresh, Gurukar; Melo, Jose Savio; D'Souza, Stanislaus F; Venkatesha, Thimmappa Venkatarangaiah

2012-09-15

Cholesterol oxidase (ChOx) and cholesterol esterase (ChEt) have been covalently immobilized onto functionalized graphene (FG) modified graphite electrode. Enzymes modified electrodes were characterized using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). FG accelerates the electron transfer from electrode surface to the immobilized ChOx, achieving the direct electrochemistry of ChOx. A well defined redox peak was observed, corresponding to the direct electron transfer of the FAD/FADH(2) of ChOx. The electron transfer coefficient (α) and electron transfer rate constant (K(s)) were calculated and their values are found to be 0.31 and 0.78 s(-1), respectively. For the free cholesterol determination, ChOx-FG/Gr electrode exhibits a sensitive response from 50 to 350 μM (R=-0.9972) with a detection limit of 5 μM. For total cholesterol determination, co-immobilization of ChEt and ChOx on modified electrode, i.e. (ChEt/ChOx)-FG/Gr electrode showed linear range from 50 to 300 μM (R=-0.9982) with a detection limit of 15 μM. Some common interferents like glucose, ascorbic acid and uric acid did not cause any interference, due to the use of a low operating potential. The FG/Gr electrode exhibits good electrocatalytic activity towards hydrogen peroxide (H(2)O(2)). A wide linear response to H(2)O(2) ranging from 0.5 to 7 mM (R=-0.9967) with a sensitivity of 443.25 μA mM(-1) cm(-2) has been obtained. Copyright © 2012 Elsevier B.V. All rights reserved.

Roles of molecular hydrogen and a hydrogen donor solvent in the cracking of moal model compounds with dispersed catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suzuki, Toshimitsu; Ikenaga, Na-oki; Sakota, Takahiro

1994-12-31

It is of great importance to evaluate quantitative hydrogen transfer process by using coal model compounds with a hydrogen-donor solvent. Cronauer el al. showed that in the cracking of benzyl phenyl ether the hydrogen required to stabilize free radicals comes from a donor solvent or intramolecular rearrangement and not from gaseous hydrogen in the absence of a catalyst. Korobkov et al. and Schlosberg et al. showed that the thermolysis of benzyl phenyl ether and dibenzyl ether were accomplished by intramolecular rearrangements. Yokokawa et al. reported that tetralin retarded the catalyzed hydrocracking of coal model compounds containing C-C and C-O bonds.more » However, few studies dealt with quantitative discussion in the hydrogen transfer process from a hydrogen-donor solvent or molecular hydrogen to free radicals derived from a model compound except a series of studies by Nicole and co-workers. On the other hand, it is well known that the amount of naphthalene produced from tetralin decreases after the liquefaction of coal in tetralin with catalyst as compared to the liquefaction in the absence of catalysts. To account for this, two mechanisms are proposed. One is that the catalyst hydrogenates naphthalene produced from tetralin, and the other is that the catalyst promotes the direct hydrogen transfer from molecular hydrogen to free radicals. The purpose of this work is to elucidate the role of catalyst and tetralin by means of the quantitative treatment of the hydrogen transfer reaction stabilizing thermally decomposed free radicals. Cracking of benzyl phenyl ether (BPE), dibenzyl ether (DBE), 1,2-diphenylethane, and 1,3-diphenylpropane was studied in tetralin in the presence of highly disposed catalyst.« less

Frozen embryo transfer prevents the detrimental effect of high estrogen on endometrium receptivity.

PubMed

Adeviye Erşahin, Aynur; Acet, Mustafa; Erşahin, Suat Süphan; Dokuzeylül Güngör, Nur

2017-03-15

To investigate whether serum levels of estradiol affect reproductive outcomes of normoresponder women undergoing fresh embryo transfer (ET) versus frozen-thawed ET (FET). Two hundred fifty-five normoresponder women underwent fresh ET in their first or second in vitro fertilization cycle. Ninety-two women with negative pregnacy test results underwent FET. Clinical and ongoing pregnancy rates, implantation, and live birth rates of women undergoing fresh ET versus FET were compared. One hundred forty-seven (57.65%) out of the 255 normoresponder women receiving FET had positive beta-human chorionic gonadotrophin (hCG) results. The remaining 108 women had negative beta-hCG results. The clinical pregnancy rates of the fresh ET group were found as 55.69% (n=142). Ninety-two of the 108 women with failed pregnancies underwent FET; 72.83% had positive beta-hCG results (n=67), and 70.65% had clinical pregnancy (n=65). Both biochemical and clinical pregnancy rates of women undergoing FET increased significantly (p<0.012 and p<0.013, respectively). Ongoing pregnancy (60.87% vs. 52.94%) and live birth rates (59.87% vs. 48.63%) were similar in both fresh and FET groups. Serum E2 levels of women who failed to conceive were significantly higher than those women did conceive. Serum progesterone levels of women who conceived versus those that did not were similar. The detrimental effect of high serum estradiol levels on endometrial receptivity could be prevented by FET.

Frozen embryo transfer prevents the detrimental effect of high estrogen on endometrium receptivity

PubMed Central

Erşahin, Aynur Adeviye; Acet, Mustafa; Erşahin, Suat Süphan; Dokuzeylül Güngör, Nur

2017-01-01

Objective: To investigate whether serum levels of estradiol affect reproductive outcomes of normoresponder women undergoing fresh embryo transfer (ET) versus frozen-thawed ET (FET). Material and Methods: Two hundred fifty-five normoresponder women underwent fresh ET in their first or second in vitro fertilization cycle. Ninety-two women with negative pregnacy test results underwent FET. Clinical and ongoing pregnancy rates, implantation, and live birth rates of women undergoing fresh ET versus FET were compared. Results: One hundred forty-seven (57.65%) out of the 255 normoresponder women receiving FET had positive beta-human chorionic gonadotrophin (hCG) results. The remaining 108 women had negative beta-hCG results. The clinical pregnancy rates of the fresh ET group were found as 55.69% (n=142). Ninety-two of the 108 women with failed pregnancies underwent FET; 72.83% had positive beta-hCG results (n=67), and 70.65% had clinical pregnancy (n=65). Both biochemical and clinical pregnancy rates of women undergoing FET increased significantly (p<0.012 and p<0.013, respectively). Ongoing pregnancy (60.87% vs. 52.94%) and live birth rates (59.87% vs. 48.63%) were similar in both fresh and FET groups. Serum E2 levels of women who failed to conceive were significantly higher than those women did conceive. Serum progesterone levels of women who conceived versus those that did not were similar. Conclusion: The detrimental effect of high serum estradiol levels on endometrial receptivity could be prevented by FET. PMID:28506949

Manipulating the Energetics and Rates of Electron Transfer in Rhodobacter capsulatus Reaction Centers with Asymmetric Pigment Content

DOE Office of Scientific and Technical Information (OSTI.GOV)

Faries, Kaitlyn M.; Dylla, Nicholas P.; Hanson, Deborah K.

2017-07-17

Seemingly redundant parallel pathways for electron transfer (ET), composed of identical sets of cofactors, are a cornerstone feature of photosynthetic reaction centers (RCs) involved in light-energy conversion. In native bacterial RCs, both A and B branches house one bacteriochlorophyll (BChl) and one bacteriopheophytin (BPh), but the A branch is used exclusively. Described herein are the results-obtained for two Rhodobacter capsulatus RCs with an unnaturally high degree of cofactor asymmetry, two BPh on the RC's B side and two BChl on the A side. These pigment changes derive, respectively, from the His(M180)Leu mutation [a BPh ((Phi(B)) replaces the B-side BChl (BB)],more » and the Leu(M212)His mutation [a BChl (beta(A))) replaces the A-side BPh (H-A)]. Additionally, Tyr(M208)Phe was employed to disfavor ET to the A branch; in one mutant, Val(M131)Glu creates a hydrogen bond to H-B to enhance ET to H-B. In both Phi(B) mutants, the decay kinetics of the excited primary ET donor (P*) resolve three populations with lifetimes of similar to 9 ps (50-60%), similar to 40 ps (10-20%), and similar to 200 ps (20-30%), with P+Phi(-)(B) formed predominantly from the 9 ps fraction. The 50-60% yield of P+Phi(B)- is the highest yet observed for a Phi(B)-containing RC. The results provide insight into factors needed for efficient multistep ET.« less

Embryo Transfer Catheters: Softer is Easier.

PubMed

Ruhlmann, Claudio; Gnocchi, Diego C; Cattaneo, Antonio R; Molina, Lucas G; Rivadeneira, Luciano Ruiz; Tessari, Lautaro; Martínez, Alejandro G

2015-11-01

This study aimed to compare the use of semi-rigid and flexible catheters in terms of pregnancy rate and level of difficulty of the embryo transfer (ET) procedure. Seven hundred and thirty-nine consecutive follicular aspirations for IVF or ICSI performed in our private fertility clinic within a 30-month period were randomly divided into two groups. Patients were allocated to either of the groups at the time of follicular retrieval with the aid of a random number generator according to the catheter used in ET: Group 1 (n = 370) - Frydman Classic Catheter 4.5 catheters; and Group 2 (n = 369) - Frydman Ultrasoft 4.5 catheters. Only patients offered ET in the randomized cycle were included (Group 1 = 363 and Group 2 = 340). Patients did not change groups after catheter allocation. Statistical analysis was carried out using an unpaired t-test or a chi square test as appropriate. Differences with P<0.05 were considered. A statistically significant difference in favor of the use of the Ultrasoft catheter was evident for parameters use of a tenaculum (19.8% vs. 5.9%) or a hysterometer (5.0% vs. 1.2%), presence of blood during post-ET inspection of the catheter (9.9% vs. 3.8%), and implantation rate (13.0% vs. 16.4%). Clinical pregnancy and delivery rates were comparable in both groups. Our results suggest that a softer catheter may help with difficult ETs. Softer catheters, as also reported by other authors, resulted in better implantation rates.

Use of embryo transfer seven days after artificial insemination or transferring identical demi-embryos to increase twinning in beef cattle.

PubMed

Dahlen, C R; DiCostanzo, A; Spell, A R; Lamb, G C

2012-12-01

Our objectives were to determine pregnancy rate, fetal loss, and number of calves born in beef cattle after a fixed-time transfer of an embryo 7 d after a fixed-time artificial insemination (TAI) of cows (Exp. 1) and after transfer of 2 demi-embryos into a single heifer recipient (Exp. 2). In Exp. 1 after synchronization of ovulation, during 2 yr, 297 suckled beef cows were assigned randomly to 1 of 3 treatments: 1) on d 2 cows received a single TAI (TAI-2; n = 99), 2) a fixed-time direct transfer, frozen and thawed embryo placed in the uterine horn ipsilateral to the ovary containing a corpus luteum (CL) on d 9 embryo transfer (ET-9; n = 99), or 3) cows received TAI on d 2 and a frozen and thawed direct transfer embryo placed in the uterine horn ipsilateral to the ovary containing a CL on d 9 (TWIN) treatments (n = 99). Fetal number and viability were determined with ultrasonography at 33 to 35 d and 90 to 100 d after insemination. In Exp. 2, 74 crossbred recipient heifers were assigned randomly to receive either 1) a single whole fresh embryo (WHOLE; n = 37) or 2) 2 identical fresh demi-embryos (SPLIT; n = 37) in the uterine horn ipsilateral to the CL 7 d after an observed estrus. Ultrasonography was used on d 33, 69, and 108 to determine presence and number of embryos or fetuses. Palpation per rectum was used to determine pregnancy status on d 180 of gestation and number of live calves was recorded at birth. In Exp. 1 pregnancy rates on d 30 to 35 were greater (P < 0.05) for TWIN- (48.5%) and TAI-2- (47.5%) than for ET-9- (33.3%) treated cows. Of the 48 pregnant cows in the TWIN treatment, 21 were twin pregnancies whereas there was 1 twin pregnancy in the TAI-2 treatment. As a result, TWIN cows had more fetuses (P < 0.05) as a proportion of all treated cows (69.7%) than TAI-2- (48.5%) or ET-9-(33.3%) treated cows, and cows in the TWIN treatment gave birth to more (P < 0.01) calves (n = 55) compared with cows in the ET treatment (n = 23) whereas cows in the TAI-2 treatment (n = 40) were intermediate. In Exp. 2 heifers receiving SPLIT (81.1%) had greater (P < 0.05) pregnancy rates on d 33 than heifers receiving WHOLE (40.5%). Of the SPLIT heifers that were confirmed pregnant at d 33 after transfer, 57% were gestating twin fetuses. Embryonic or fetal loss from d 33 to birth was greater (P < 0.01) in heifers in the SPLIT treatment (40.0%) compared with the WHOLE treatment (0.0%), but number of calves per female treated was greater (P < 0.05) in heifers in the SPLIT treatment (75.0%) compared with heifers in the WHOLE treatment (40.5%). We conclude that transferring an embryo into a cow 7 d after TAI did not increase the pregnancy rate in Exp.1. However, transferring 2 demi-embryos into a single heifer recipient increased pregnancy rate at 33 d of gestation whereas both methods of inducing twinning resulted in a greater number of calves per female treated. In addition, embryonic or fetal loss associated with unilateral twin pregnancies in heifers occurred at rates greater than those associated with single-fetus pregnancies.

A transferable force field for CdS-CdSe-PbS-PbSe solid systems

NASA Astrophysics Data System (ADS)

Fan, Zhaochuan; Koster, Rik S.; Wang, Shuaiwei; Fang, Changming; Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W.; van Huis, Marijn A.; Vlugt, Thijs J. H.

2014-12-01

A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., "Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth," Nano Lett. 14, 3661-3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

Theoretical investigation of structures and energetics of sodium adatom and its dimer on graphene: DFT study

NASA Astrophysics Data System (ADS)

Kaur, Gagandeep; Gupta, Shuchi; Rani, Pooja; Dharamvir, Keya

2015-11-01

Extensive ab initio calculations have been performed to study the energetics of a sodium (Na) atom and its dimer adsorbed on graphene using the SIESTA package Soler et al. (2002) [1] which works within a DFT(density functional theory)-GGA (generalized gradient approximation) pseudopotential framework. The adsorption energy, geometry, charge transfer, ionization potential and density of states (DOS), partial density states (PDOS) of adatom/dimer-graphene system have been calculated. After considering various sites for adsorption of Na on graphene, the center of a hexagonal ring of carbon atoms is found to be the preferred site of adsorption while the Na2 dimer prefers to rest parallel to the graphene sheet. We find insignificant energy differences among adsorption configurations involving different possible sites in parallel orientation, which implies high mobility of the dimer on the graphene sheet. We also notice only a slight distortion of the graphene sheet perpendicular to its plane upon adatom adsorption. However, some lateral displacements seen are more perceptible. Summary The adsorption energy, geometry, charge transfer, ionization potential and density of states (DOS) and PDOS of adatom/dimer-graphene system have been calculated using SIESTA package Soler et al. (2002) [1] which works within a DFT(density functional theory)-GGA (generalized gradient approximation) pseudopotential framework. Preferred site for adsorption of a sodium atom on graphene is the hollow site. For the Na dimer adsorption, we found that horizontal orientation is favored over the vertical one. From DOS plots, it is clear that graphene's states are nearly unaffected by the adsorption of Na adatom and Interaction between sodium and graphene is predominantly ionic

Plasma Sail Concept Fundamentals

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Delamere, P.; Kabin, K.; Linde, T. J.

2004-01-01

The mini-magnetospheric plasma propulsion (M2P2) device, originally proposed by Winglee et al., predicts that a 15-km standoff distance (or 20-km cross-sectional dimension) of the magnetic bubble will provide for sufficient momentum transfer from the solar wind to accelerate a spacecraft to unprecedented speeds of 50 C80 km/s after an acceleration period of 3 mo. Such velocities will enable travel out of the solar system in period of 7 yr almost an order of magnitude improvement over present chemical-based propulsion systems. However, for the parameters of the simulation of Winglee et al., a fluid model for the interaction of M2P2 with the solar wind is not valid. It is assumed in the magnetohydrodynamic (MHD) fluid model, normally applied to planetary magnetospheres, that the characteristic scale size is much greater than the Larmor radius and ion skin depth of the solar wind. In the case of M2P2, the size of the magnetic bubble is actually less than or comparable to the scale of these characteristic parameters. Therefore, a kinetic approach, which addresses the small-scale physical mechanisms, must be used. A two-component approach to determining a preliminary estimate of the momentum transfer to the plasma sail has been adopted. The first component is a self-consistent MHD simulation of the small-scale expansion phase of the magnetic bubble. The fluid treatment is valid to roughly 5 km from the source and the steady-state MHD solution at the 5 km boundary was then used as initial conditions for the hybrid simulation. The hybrid simulations showed that the forces delivered to the innermost regions of the plasma sail are considerably ( 10 times) smaller than the MHD counterpart, are dominated by the magnetic field pressure gradient, and are directed primarily in the transverse direction.

Experiment lithopanspermia: test of interplanetary transfer and re-entry process of epi- and endolithic microbial communities in the FOTON-M3 Mission

NASA Astrophysics Data System (ADS)

de La Torre Noetzel, Rosa

The Lithopanspermia hypothesis assumes that impact-expelled rocks serve as interplanetary transfer vehicles for microorganisms colonizing those rocks. It requires that the microorganisms survive (1) the impact ejection process from the planet of origin; (2) travelling through space; (3) capture and landing on another planet. In the experiment "Lithopanspermia" on board of the FOTON-M3 satellite (14.09.07) steps 2 and 3 of this scenario have been experimentally tested. Assay systems for step 2 were the bipolar epilithic lichen species Rhizocarpon geographicum and Xanthoria elegans on their natural rock substrate as well as their reproduction structures, microbial communities from atacamás halites Chroococcidiopsiss, endolithic communities of Anabaena and Nostoc, and the vagrant lichen species Aspicilia fruticulosa. The samples were exposed to outer space conditions within the BIOPAN-6 facility of ESA. Preparatory space simulation studies (UV solar spectrum radiation and vacuum at 10-2 Pa) performed at the Spasolab-Laboratory of INTA (March-April 2007), have demonstrated the suitability of those lichen species. After flight (10 days exposure to harsh space conditions in low Earth orbit at about 300 km altitude) and recovery, the survival capacity of the microbial communities has been assayed. First analyses have confirmed a fast recovery of the biological activity (chlorophyll a- fluorescence) of the lichens, similar to the high survival rates observed in the experiment LICHENS onboard of the Foton-M2 mission (de la Torre et al., 2007; Sancho et al., 2007). There were no significant changes in relation with the pre-flight values of the epilithic-, endolithicand vagrant lichen samples. First results of Confocal Scanning Laser Microscopy have demonstrated a high vitality of epilithic samples. Ultrastructural changes are being analyzed by Transmission Electron Microscopy and Cryoscanning. Furthermore, concerning the germination capacity of ascospores of Xanthoria elegans up to now no differences were detected between the controls (90 References: De la Torre et al. (2007) BIOPAN experiment LICHENS on the Foton-M2 mission: pre-flight verification tests of the Rhizocarpon geographicum-granite ecosystem, Adv. Space Res. 40, 1665-1671, doi:10.1016/jasr.2007.02.022. Sancho L. et al. (2007) Lichens survive in space. Astrobiology, 7, 443-454. St¨ffler D, et al. (2007) Experimental evidence for the o potential impact ejection of viable microorganisms from Mars and Mars-like planets Icarus, 186, 585-588. Horneck et al. (2007) Microbial rock inhabitants survive hypervelocity impacts on Mars-like host planets: First phase of Lithopanspermia experimentally tested, Astrobiology, in press.

A single residue controls electron transfer gating in photosynthetic reaction centers

NASA Astrophysics Data System (ADS)

Shlyk, Oksana; Samish, Ilan; Matěnová, Martina; Dulebo, Alexander; Poláková, Helena; Kaftan, David; Scherz, Avigdor

2017-03-01

Interquinone QA- → QB electron-transfer (ET) in isolated photosystem II reaction centers (PSII-RC) is protein-gated. The temperature-dependent gating frequency “k” is described by the Eyring equation till levelling off at T ≥ 240 °K. Although central to photosynthesis, the gating mechanism has not been resolved and due to experimental limitations, could not be explored in vivo. Here we mimic the temperature dependency of “k” by enlarging VD1-208, the volume of a single residue at the crossing point of the D1 and D2 PSII-RC subunits in Synechocystis 6803 whole cells. By controlling the interactions of the D1/D2 subunits, VD1-208 (or 1/T) determines the frequency of attaining an ET-active conformation. Decelerated ET, impaired photosynthesis, D1 repair rate and overall cell physiology upon increasing VD1-208 to above 130 Å3, rationalize the >99% conservation of small residues at D1-208 and its homologous motif in non-oxygenic bacteria. The experimental means and resolved mechanism are relevant for numerous transmembrane protein-gated reactions.

A Pulsar and White Dwarf in an Unexpected Orbit

NASA Astrophysics Data System (ADS)

Kohler, Susanna

2016-11-01

Astronomers have discovered a binary system consisting of a low-mass white dwarf and a millisecond pulsar but its eccentric orbit defies all expectations of how such binaries form.Observed orbital periods and binary eccentricities for binary millisecond pulsars. PSR J2234+0511 is the furthest right of the green stars that mark the five known eccentric systems. [Antoniadis et al. 2016]Unusual EccentricityIt would take a low-mass (0.4 solar masses) white dwarf over 100 billion years to form from the evolution of a single star. Since this is longer than the age of the universe, we believe that these lightweights are instead products of binary-star evolution and indeed, we observe many of these stars to still be in binary systems.But the binary evolution that can create a low-mass white dwarf includes a period of mass transfer, in which efficient tidal dissipation damps the systems orbital eccentricity. Because of this, we would expect all systems containing low-mass white dwarfs to have circular orbits.In the past, our observations of low-mass white dwarfmillisecond pulsar binaries have all been consistent with this expectation. But a new detection has thrown a wrench in the works: the unambiguous identification of a low-mass white dwarf thats in an eccentric (e=0.13) orbit with the millisecond pulsar PSR J2234+0511. How could this system have formed?Eliminating Formation ModelsLed by John Antoniadis (Dunlap Institute at University of Toronto), a team of scientists has used newly obtained optical photometry (from the Sloan Digital Sky Survey) and spectroscopy (from the Very Large Telescope in Chile) of the white dwarf to confirm the identification of this system.Antoniadis and collaborators then use measurements of the bodies masses (0.28 and 1.4 solar masses for the white dwarf and pulsar, respectively) and velocities, and constraints on the white dwarfs temperature, radius and surface gravity, to address three proposed models for the formation of this system.The 3D motion of the pulsar (black solid lines; current position marked with diamond) in our galaxy over the past 1.5 Gyr. This motion is typical for low-mass X-ray binary descendants, favoring a binary-evolution model over a 3-body-interaction model. [Antoniadis et al. 2016]In the first model, the eccentric binary was created via adynamic three-body formation channel. This possibility is deemed unlikely, as the white-dwarf properties and all the kinematic properties of the system point to normal binary evolution.In the secondmodel, the binary system gains its high eccentricity after mass transfer ends, when the pulsar progenitor experiences a spontaneous phase transition. The authors explore two options for this: one in which the neutron star implodes into a strange-quark star, and the other in which an over-massive white dwarf suffers a delayed collapse into a neutron star. Both cases are deemed unlikely, because the mass inferred for the pulsar progenitor is not consistent with either model.In the third model, the system forms a circumbinary disk fueled by material escaping the proto-white dwarf. After mass transfer has ended, interactions between the binary and its disk gradually increase the eccentricity of the system, pumping it up to what we observe today. All of the properties of the system measured by Antoniadis and collaborators are thus far consistent with this model.Further observations of this system and systems like it (several others have been detected, though not yet confirmed) will help determine whether binary evolution combined with interactions with a disk can indeed explain the formation of this unexpectedly eccentricsystem.CitationJohn Antoniadis et al 2016 ApJ 830 36. doi:10.3847/0004-637X/830/1/36

RETRACTED: Adaptive neuro-fuzzy prediction of modulation transfer function of optical lens system

NASA Astrophysics Data System (ADS)

Petković, Dalibor; Shamshirband, Shahaboddin; Anuar, Nor Badrul; Md Nasir, Mohd Hairul Nizam; Pavlović, Nenad T.; Akib, Shatirah

2014-07-01

This article has been retracted: please see Elsevier Policy on Article Withdrawal (http://www.elsevier.com/locate/withdrawalpolicy). This article has been retracted at the request of the Editor. Sections ;1. Introduction; and ;2. Modulation transfer function;, as well as Figures 1-3, plagiarize the article published by N. Gül and M. Efe in Turk J Elec Eng & Comp Sci 18 (2010) 71 (http://journals.tubitak.gov.tr/elektrik/issues/elk-10-18-1/elk-18-1-6-0811-9.pdf). Sections ;4. Adaptive neuro-fuzzy inference system; and ;6. Conclusion; duplicate parts of the articles previously published by the corresponding author et al in ;Expert Systems with Applications; 39 (2012) 13295-13304, http://dx.doi.org/10.1016/j.eswa.2012.05.072 and ;Expert Systems with Applications; 40 (2013) 281-286, http://dx.doi.org/10.1016/j.eswa.2012.07.076. One of the conditions of submission of a paper for publication is that authors declare explicitly that the paper is not under consideration for publication elsewhere. Re-use of any data should be appropriately cited. As such this article represents an abuse of the scientific publishing system. The scientific community takes a very strong view on this matter and apologies are offered to readers of the journal that this was not detected during the submission process.