Graphene Oxide Affects Mobility and Antibacterial Ability of Levofloxacin and Ciprofloxacin in Saturated and Unsaturated Porous Media

NASA Astrophysics Data System (ADS)

Kaixuan, S.

2017-12-01

Understand the fate and impact of fluoroquinolone antibiotics (FQs) in soil and groundwater systems is critical to the safety of ecosystem and public health. In this work, laboratory batch sorption, column transport, and bacterial growth experiments were conducted to improve current understanding of the interactions between two typical FQs (levofloxacin (LEV) and ciprofloxacin (CIP)) and graphene oxide (GO) in quartz sand media under various conditions. Studies showed that both GO and quartz sand adsorbed LEV and CIP in aqueous solutions and sand was capable to compete with GO for the antibiotics. While GO showed much larger sorption capacity, the sand had stronger sorption affinity to the two antibiotics. As a result, neither LEV nor CIP showed any signs of breakthrough in saturated or unsaturated porous media. When the two antibiotics were premixed with GO, their mobility in porous media increased for both saturate and unsaturated conditions and the amount of LEV or CIP in the effluents increased with the increasing of initial GO concentration. During their transport in saturated porous media, some of the GO-bound antibiotics, especially those sorbed via relatively weak interactions, transferred from GO to the quartz sand. Under unsaturated conditions, GO-bound LEV might also transfer from GO to the air-water interface due to the strong affiliation between LEV and air-water interface. Sorption onto GO reduced the antibacterial ability of LEV and CIP, however, the GO-bound antibiotics still effectively inhibited the growth of E coli. Findings from this work indicated that mobile GO affected not only the mobility but also the ecotoxicity of LEV and CIP in porous media.

Distance dependence in photo-induced intramolecular electron transfer

NASA Astrophysics Data System (ADS)

Larsson, Sven; Volosov, Andrey

1986-09-01

The distance dependence of the rate of photo-induced electron transfer reactions is studied. A quantum mechanical method CNDO/S is applied to a series of molecules recently investigated by Hush et al. experimentally. The calculations show a large interaction through the saturated bridge which connects the two chromophores. The electronic matrix element HAB decreases a factor 10 in about 4 Å. There is also a decrease of the rate due to less exothermicity for the longer molecule. The results are in fair agreement with the experimental results.

Correcting reaction rates measured by saturation-transfer magnetic resonance spectroscopy

NASA Astrophysics Data System (ADS)

Gabr, Refaat E.; Weiss, Robert G.; Bottomley, Paul A.

2008-04-01

Off-resonance or spillover irradiation and incomplete saturation can introduce significant errors in the estimates of chemical rate constants measured by saturation-transfer magnetic resonance spectroscopy (MRS). Existing methods of correction are effective only over a limited parameter range. Here, a general approach of numerically solving the Bloch-McConnell equations to calculate exchange rates, relaxation times and concentrations for the saturation-transfer experiment is investigated, but found to require more measurements and higher signal-to-noise ratios than in vivo studies can practically afford. As an alternative, correction formulae for the reaction rate are provided which account for the expected parameter ranges and limited measurements available in vivo. The correction term is a quadratic function of experimental measurements. In computer simulations, the new formulae showed negligible bias and reduced the maximum error in the rate constants by about 3-fold compared to traditional formulae, and the error scatter by about 4-fold, over a wide range of parameters for conventional saturation transfer employing progressive saturation, and for the four-angle saturation-transfer method applied to the creatine kinase (CK) reaction in the human heart at 1.5 T. In normal in vivo spectra affected by spillover, the correction increases the mean calculated forward CK reaction rate by 6-16% over traditional and prior correction formulae.

Dissociation of glucocerebrosidase dimer in solution by its co-factor, saposin C

DOE PAGES

Gruschus, James M.; Jiang, Zhiping; Yap, Thai Leong; ...

2015-01-16

Mutations in the gene for the lysosomal enzyme glucocerebrosidase (GCase) cause Gaucher disease and are the most common risk factor for Parkinson disease (PD). Analytical ultracentrifugation of 8 μM GCase shows equilibrium between monomer and dimer forms. However, in the presence of its co-factor saposin C (Sap C), only monomer GCase is seen. Isothermal calorimetry confirms that Sap C associates with GCase in solution in a 1:1 complex (K d = 2.1 ± 1.1 μM). Saturation cross-transfer NMR determined that the region of Sap C contacting GCase includes residues 63–66 and 74–76, which is distinct from the region known tomore » enhance GCase activity. Because α-synuclein (α-syn), a protein closely associated with PD etiology, competes with Sap C for GCase binding, its interaction with GCase was also measured by ultracentrifugation and saturation cross-transfer. Unlike Sap C, binding of α-syn to GCase does not affect multimerization. However, adding α-syn reduces saturation cross-transfer from Sap C to GCase, confirming displacement. To explore where Sap C might disrupt multimeric GCase, GCase x-ray structures were analyzed using the program PISA, which predicted stable dimer and tetramer forms. In conclusion, for the most frequently predicted multimer interface, the GCase active sites are partially buried, suggesting that Sap C might disrupt the multimer by binding near the active site.« less

Target-specific NMR detection of protein-ligand interactions with antibody-relayed 15N-group selective STD.

PubMed

Hetényi, Anasztázia; Hegedűs, Zsófia; Fajka-Boja, Roberta; Monostori, Éva; Kövér, Katalin E; Martinek, Tamás A

2016-12-01

Fragment-based drug design has been successfully applied to challenging targets where the detection of the weak protein-ligand interactions is a key element. 1 H saturation transfer difference (STD) NMR spectroscopy is a powerful technique for this work but it requires pure homogeneous proteins as targets. Monoclonal antibody (mAb)-relayed 15 N-GS STD spectroscopy has been developed to resolve the problem of protein mixtures and impure proteins. A 15 N-labelled target-specific mAb is selectively irradiated and the saturation is relayed through the target to the ligand. Tests on the anti-Gal-1 mAb/Gal-1/lactose system showed that the approach is experimentally feasible in a reasonable time frame. This method allows detection and identification of binding molecules directly from a protein mixture in a multicomponent system.

Modeling magnetization transfer effects of Q2TIPS bolus saturation in multi-TI pulsed arterial spin labeling.

PubMed

Petr, Jan; Schramm, Georg; Hofheinz, Frank; Langner, Jens; van den Hoff, Jörg

2014-10-01

To estimate the relaxation time changes during Q2TIPS bolus saturation caused by magnetization transfer effects and to propose and evaluate an extended model for perfusion quantification which takes this into account. Three multi inversion-time pulsed arterial spin labeling sequences with different bolus saturation duration were acquired for five healthy volunteers. Magnetization transfer exchange rates in tissue and blood were obtained from control image saturation recovery. Cerebral blood flow (CBF) obtained using the extended model and the standard model was compared. A decrease of obtained CBF of 6% (10%) was observed in grey matter when the duration of bolus saturation increased from 600 to 900 ms (1200 ms). This decrease was reduced to 1.6% (2.8%) when the extended quantification model was used. Compared with the extended model, the standard model underestimated CBF in grey matter by 9.7, 15.0, and 18.7% for saturation durations 600, 900, and 1200 ms, respectively. Results for simulated single inversion-time data showed 5-16% CBF underestimation depending on blood arrival time and bolus saturation duration. Magnetization transfer effects caused by bolus saturation pulses should not be ignored when performing quantification as they can cause appreciable underestimation of the CBF. Copyright © 2013 Wiley Periodicals, Inc.

Effect of reabsorbed recombination radiation on the saturation current of direct gap p-n junctions

NASA Technical Reports Server (NTRS)

Von Roos, O.; Mavromatis, H.

1984-01-01

The application of the radiative transfer theory for semiconductors to p-n homojunctions subject to low level injection conditions is discussed. By virtue of the interaction of the radiation field with free carriers across the depletion layer, the saturation current density in Shockley's expression for the diode current is reduced at high doping levels. The reduction, due to self-induced photon generation, is noticeable for n-type material owing to the small electron effective mass in direct band-gap III-V compounds. The effect is insignificant in p-type material. At an equilibrium electron concentration of 2 x 10 to the 18th/cu cm in GaAs, a reduction of the saturation current density by 15 percent is predicted. It is concluded that realistic GaAs p-n junctions possess a finite thickness.

Nanodisc-Targeted STD NMR Spectroscopy Reveals Atomic Details of Ligand Binding to Lipid Environments.

PubMed

Muñoz-García, Juan C; Inacio Dos Reis, Rosana; Taylor, Richard J; Henry, Alistair J; Watts, Anthony

2018-05-18

Saturation transfer difference (STD) NMR spectroscopy is one of the most popular ligand-based NMR techniques for the study of protein-ligand interactions. This is due to its robustness and the fact that it is focused on the signals of the ligand, without any need for NMR information on the macromolecular target. This technique is most commonly applied to systems involving different types of ligands (e.g., small organic molecules, carbohydrates or lipids) and a protein as the target, in which the latter is selectively saturated. However, only a few examples have been reported where membrane mimetics are the macromolecular binding partners. Here, we have employed STD NMR spectroscopy to investigate the interactions of the neurotransmitter dopamine with mimetics of lipid bilayers, such as nanodiscs, by saturation of the latter. In particular, the interactions between dopamine and model lipid nanodiscs formed either from charged or zwitterionic lipids have been resolved at the atomic level. The results, in agreement with previous isothermal titration calorimetry studies, show that dopamine preferentially binds to negatively charged model membranes, but also provide detailed atomic insights into the mode of interaction of dopamine with membrane mimetics. Our findings provide relevant structural information for the design of lipid-based drug carriers of dopamine and its structural analogues and are of general applicability to other systems. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

STD-NMR-Based Protein Engineering of the Unique Arylpropionate-Racemase AMDase G74C.

PubMed

Gaßmeyer, Sarah Katharina; Yoshikawa, Hiroyuki; Enoki, Junichi; Hülsemann, Nadine; Stoll, Raphael; Miyamoto, Kenji; Kourist, Robert

2015-06-23

Structure-guided protein engineering achieved a variant of the unique racemase AMDase G74C, with 40-fold increased activity in the racemisation of several arylaliphatic carboxylic acids. Substrate binding during catalysis was investigated by saturation-transfer-difference NMR (STD-NMR) spectroscopy. All atoms of the substrate showed interactions with the enzyme. STD-NMR measurements revealed distinct nuclear Overhauser effects in experiments with and without molecular conversion. The spectroscopic analysis led to the identification of several amino acid residues whose substitutions increased the activity of G74C. Single amino acid exchanges increased the activity moderately; structure-guided saturation mutagenesis yielded a quadruple mutant with a 40 times higher reaction rate. This study presents STD-NMR as versatile tool for the analysis of enzyme-substrate interactions in catalytically competent systems and for the guidance of protein engineering. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical Exchange Saturation Transfer (CEST): what is in a name and what isn’t?

PubMed Central

van Zijl, Peter C.M.; Yadav, Nirbhay N.

2011-01-01

Chemical exchange saturation transfer (CEST) imaging is a relatively new MRI contrast approach in which exogenous or endogenous compounds containing either exchangeable protons or exchangeable molecules are selectively saturated and, after transfer of this saturation, detected indirectly through the water signal with enhanced sensitivity. The focus of this review is on basic MR principles underlying CEST and similarities to and differences with conventional magnetization transfer contrast (MTC). In CEST MRI, transfer of magnetization is studied in mobile compounds instead of semisolids. Similar to MTC, CEST has contributions of both chemical exchange and dipolar cross-relaxation, but the latter can often be neglected if exchange is fast. Contrary to MTC, CEST imaging requires sufficiently slow exchange on the MR time scale to allow selective irradiation of the protons of interest. As a consequence, magnetic labeling is not limited to radio-frequency saturation but can be expanded with slower frequency-selective approaches such as inversion, gradient dephasing and frequency labeling. The basic theory, design criteria, and experimental issues for exchange transfer imaging are discussed. A new classification for CEST agents based on exchange type is proposed. The potential of this young field is discussed, especially with respect to in vivo application and translation to humans. PMID:21337419

Amide proton transfer imaging with improved robustness to magnetic field inhomogeneity and magnetization transfer asymmetry using Saturation with Frequency Alternating RF Irradiation (SAFARI)

PubMed Central

Scheidegger, Rachel; Vinogradov, Elena; Alsop, David C

2011-01-01

Amide proton transfer (APT) imaging has shown promise as an indicator of tissue pH and as a marker for brain tumors. Sources of error in APT measurements include direct water saturation, and magnetization transfer (MT) from membranes and macromolecules. These are typically suppressed by post-processing asymmetry analysis. However, this approach is strongly dependent on B0 homogeneity and can introduce additional errors due to intrinsic MT asymmetry, aliphatic proton features opposite the amide peak, and radiation damping-induced asymmetry. Although several methods exist to correct for B0 inhomogeneity, they tremendously increase scan times and do not address errors induced by asymmetry of the z-spectrum. In this paper, a novel saturation scheme - saturation with frequency alternating RF irradiation (SAFARI) - is proposed in combination with a new magnetization transfer ratio (MTR) parameter designed to generate APT images insensitive to direct water saturation and MT, even in the presence of B0 inhomogeneity. The feasibility of the SAFARI technique is demonstrated in phantoms and in the human brain. Experimental results show that SAFARI successfully removes direct water saturation and MT contamination from APT images. It is insensitive to B0 offsets up to 180Hz without using additional B0 correction, thereby dramatically reducing scanning time. PMID:21608029

[2.2]paracyclophane-bridged mixed-valence compounds: application of a generalized Mulliken-Hush three-level model.

PubMed

Amthor, Stephan; Lambert, Christoph

2006-01-26

A series of [2.2]paracylophane-bridged bis-triarylamine mixed-valence (MV) radical cations were analyzed by a generalized Mulliken-Hush (GMH) three-level model which takes two transitions into account: the intervalence charge transfer (IV-CT) band which is assigned to an optically induced hole transfer (HT) from one triarylamine unit to the second one and a second band associated with a triarylamine radical cation to bridge (in particular, the [2.2]paracyclophane bridge) hole transfer. From the GMH analysis, we conclude that the [2.2]paracyclophane moiety is not the limiting factor which governs the intramolecular charge transfer. AM1-CISD calculations reveal that both through-bond as well as through-space interactions of the [2.2]paracyclophane bridge play an important role for hole transfer processes. These electronic interactions are of course smaller than direct pi-conjugation, but from the order of magnitude of the couplings of the [2.2]paracyclophane MV species, we assume that this bridge is able to mediate significant through-space and through-bond interactions and that the cyclophane bridge acts more like an unsaturated spacer rather than a saturated one. From the exponential dependence of the electronic coupling V between the two triarylamine localized states on the distance r between the two redox centers, we infer that the hole transfer occurs via a superexchange mechanism. Our analysis reveals that even significantly longer pi-conjugated bridges should still mediate significant electronic interactions because the decay constant beta of a series of pi-conjugated MV species is small.

Helium Evolution from the Transfer of Helium Saturated Propellant in Space

NASA Technical Reports Server (NTRS)

Nguyen, Bich N.

2000-01-01

Helium evolution from the transfer of helium saturated propellant in space is quantified to determine its impact from creating a two-phase mixture in the transfer line. The transfer line is approximately 1/2 inch in diameter and 2400 inches in length comprised of the Fluid Interconnect System (FICS), the Orbiter Propellant Transfer System (OPTS) and the International Space Station (ISS) Propulsion Module (ISSPM). The propellant transfer rate is approximately two to three gallons per minute, and the supply tank pressure is maintained at approximately 250 psig.

Intestinal transfer of choline in rat and hamster

PubMed Central

Sanford, P. A.; Smyth, D. H.

1971-01-01

1. The transfer of choline was studied with sacs of everted intestine of rat and hamster. 2. The choline transfer can be divided into two components, a diffusion process and a saturable process. The latter plays a relatively greater part at low concentrations of choline, which include the physiological concentration in the plasma. The saturable process is better seen in the hamster than in the rat. 3. Intestinal transfer of choline is influenced by substances altering the availability of energy in the cell, and by some substances chemically or pharmacologically related to choline. These findings are consistent with some kind of specific mechanism for choline transfer. 4. Part of the choline taken up by the cell appears as a metabolite not yet identified. The formation of the metabolite is a saturable process and is abolished by anaerobic conditions and by homogenization. 5. The results are also discussed in relation to parameters of transfer. PMID:5090994

Cryogenic-coolant He-4-superconductor interaction

NASA Technical Reports Server (NTRS)

Caspi, S.; Lee, J. Y.; Kim, Y. I.; Allen, R. J.; Frederking, T. H. K.

1978-01-01

The thermodynamic and thermal interaction between a type 2 composite alloy and cryo-coolant He4 was studied with emphasis on post quench phenomena of formvar coated conductors. The latter were investigated using a heater simulation technique. Overall heat transfer coefficients were evaluated for the quench onset point. Heat flux densities were determined for phenomena of thermal switching between a peak and a recovery value. The study covered near saturated liquid, pressurized He4, both above and below the lambda transition, and above and below the thermodynamic critical pressure. In addition, friction coefficients for relative motion between formvar insulated conductors were determined.

An Elegant Sufficiency: Load-Aware Differentiated Scheduling of Data Transfers

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

Kettimuthu, Rajkumar; Vardoyan, Gayane; Agrawal, Gagan

2015-11-15

We investigate the file transfer scheduling problem, where transfers among different endpoints must be scheduled to maximize pertinent metrics. We propose two new algorithms that exploit the fact that the aggregate bandwidth obtained over a network or at a storage system tends to increase with the number of concurrent transfers—but only up to a certain limit. The first algorithm, SEAL, uses runtime information and data-driven models to approximate system load and adapt transfer schedules and concurrency so as to maximize performance while avoiding saturation. We implement this algorithm using GridFTP as the transfer protocol and evaluate it using real transfermore » logs in a production WAN environment. Results show that SEAL can improve average slowdowns and turnaround times by up to 25% and worst-case slowdown and turnaround times by up to 50%, compared with the best-performing baseline scheme. Our second algorithm, STEAL, further leverages user-supplied categorization of transfers as either “interactive” (requiring immediate processing) or “batch” (less time-critical). Results show that STEAL reduces the average slowdown of interactive transfers by 63% compared to the best-performing baseline and by 21% compared to SEAL. For batch transfers, compared to the best-performing baseline, STEAL improves by 18% the utilization of the bandwidth unused by interactive transfers. By elegantly ensuring a sufficient, but not excessive, allocation of concurrency to the right transfers, we significantly improve overall performance despite constraints.« less

European Science Notes Information Bulletin Reports on Current European/Middle Eastern Science,

DTIC Science & Technology

1989-07-01

behavior at high rates of strain, and composite materials at high rates of strain. ESNIB 89-07 International Conference on Interaction of Steels with... drug mole-armacology,. ture will be the sterility, energy and mass transfer, shearcults possess N-alkyl functions, usually in saturated struc- tures...tnerapcutic agents. This is usually cell densities and high metabolically active cells, the achieved by N-dcalklyating the parent drug molecule to

Magnetic resonance imaging using chemical exchange saturation transfer

NASA Astrophysics Data System (ADS)

Park, Jaeseok

2012-10-01

Magnetic resonance imaging (MRI) has been widely used as a valuable diagnostic imaging modality that exploits water content and water relaxation properties to provide both structural and functional information with high resolution. Chemical exchange saturation transfer (CEST) in MRI has been recently introduced as a new mechanism of image contrast, wherein exchangeable protons from mobile proteins and peptides are indirectly detected through saturation transfer and are not observable using conventional MRI. It has been demonstrated that CEST MRI can detect important tissue metabolites and byproducts such as glucose, glycogen, and lactate. Additionally, CEST MRI is sensitive to pH or temperature and can calibrate microenvironment dependent on pH or temperature. In this work, we provide an overview on recent trends in CEST MRI, introducing general principles of CEST mechanism, quantitative description of proton transfer process between water pool and exchangeable solute pool in the presence or absence of conventional magnetization transfer effect, and its applications

Assembly of the alpha-toxin-hexamer of Staphylococcus aureus in the liposome membrane.

PubMed

Ikigai, H; Nakae, T

1987-02-15

It has been shown that the access of the alpha-toxin of Staphylococcus aureus to the target membrane and assembly of the hexamer can be monitored independently by respectively measuring the fluorescence energy transfer from the tryptophan residue(s) of the toxin to the dansylated phosphatidylethanolamine in the liposome membrane and the fluorescence increment of the toxin at 336 nm (Ikigai, H., and Nakae, T., (1987) J. Biol. Chem. 262, 2150-2155). Measurement of these parameters under various conditions showed the following results: when phosphatidylcholine (PC) liposomes composed of saturated fatty acids were mixed with the toxin, the fluorescence energy transfer occurred below, at, and above the transition temperature of the lipid, but the change of fluorescence at 336 nm was never detectable; when PC-liposomes containing unsaturated fatty acids were used, both the fluorescence energy transfer and the fluorescence increment of 336 nm were observed. These results suggested that the toxin-membrane interaction occurs in PC-membranes containing saturated and/or unsaturated fatty acids and that the oligomerization occurs only in the presence of PC containing unsaturated fatty acid(s). This conclusion was supported by the results of quantitative determination of the toxin-hexamer assembly and leakage of carboxyfluorescein from PC-liposomes under conditions similar to the above.

Saturation Transfer Difference NMR as an Analytical Tool for Detection and Differentiation of Plastic Explosives on the Basis of Minor Plasticizer Composition

DTIC Science & Technology

2015-05-01

HMX ); ethylene glycol dinitrate (EGDN); ammonium nitrate (AN); and nitrocellulose (NC).1–4 Alternatively, in one recent study,5 fluorescence-based...saturation transfer difference AN ammonium nitrate BSA bovine serum albumin EGDN ethylene glycol dinitrate HDO partially deuterated water HMX

Characterizing 3D sensors using the 3D modulation transfer function

NASA Astrophysics Data System (ADS)

Kellner, Timo; Breitbarth, Andreas; Zhang, Chen; Notni, Gunther

2018-03-01

The fields of optical 3D measurement system applications are continuously expanding and becoming more and more diverse. To evaluate appropriate systems for various measurement tasks, comparable parameters are necessary, whereas the 3D modulation transfer function (3D-MTF) has been established as a further criterion. Its aim is the determination of the system response between the measurement of a straight, sharp-edged cube and its opposite ideal calculated one. Within the scope of this work simulations and practical investigations regarding the 3D-MTF’s influences and its main issues are specifically investigated. Therefore, different determined edge radii representing the high-frequency spectra lead to various decreasing 3D-MTF characteristics. Furthermore, rising sampling frequencies improve its maximum transfer value to a saturation point in dependence of the radius. To approve these results of previous simulations, three fringe projection scanners were selected to determine the diversity. As the best 3D-MTF characteristic, a saturated transfer value of H_3D( f_N, 3D) = 0.79 has been identified at a sufficient sampling frequency, which is reached at four times the Nyquist limit. This high 3D resolution can mainly be achieved due to an improved camera projector interaction. Additionally, too small sampling ratios lead to uncertainties in the edge function determination, while higher ratios do not show major improvements. In conclusion, the 3D-MTF algorithm has thus been practically verified and its repeatability as well as its robustness have been confirmed.

Simulation of Vortex Structure in Supersonic Free Shear Layer Using Pse Method

NASA Astrophysics Data System (ADS)

Guo, Xin; Wang, Qiang

The method of parabolized stability equations (PSE) are applied in the analysis of nonlinear stability and the simulation of flow structure in supersonic free shear layer. High accuracy numerical techniques including self-similar basic flow, high order differential method, appropriate transformation and decomposition of nonlinear terms are adopted and developed to solve the PSE effectively for free shear layer. The spatial evolving unstable waves which dominate the flow structure are investigated through nonlinear coupling spatial marching methods. The nonlinear interactions between harmonic waves are further analyzed and instantaneous flow field are obtained by adding the harmonic waves into basic flow. Relevant data agree well with that of DNS. The results demonstrate that T-S wave does not keeping growing exponential as the linear evolution, the energy transfer to high order harmonic modes and finally all harmonic modes get saturation due to the nonlinear interaction; Mean flow distortion is produced by the nonlinear interaction between the harmonic and its conjugate harmonic, makes great change to the average flow and increases the thickness of shear layer; PSE methods can well capture the large scale nonlinear flow structure in the supersonic free shear layer such as vortex roll-up, vortex pairing and nonlinear saturation.

Osmotically shrunken LIPOCEST agents: an innovative class of magnetic resonance imaging contrast media based on chemical exchange saturation transfer.

PubMed

Terreno, Enzo; Delli Castelli, Daniela; Violante, Elisabetta; Sanders, Honorius M H F; Sommerdijk, Nico A J M; Aime, Silvio

2009-01-01

The peculiar properties of osmotically shrunken liposomes acting as magnetic resonance imaging-chemical exchange saturation transfer (MRI-CEST) contrast agents have been investigated. Attention has been primarily devoted to assessing the contribution arising from encapsulated and incorporated paramagnetic lanthanide(III)-based shift reagents in determining the chemical shift of the intraliposomal water protons, which is a relevant factor for generating the CEST contrast. It is demonstrated that a highly shifted resonance for the encapsulated water can be attained by increasing the percentage of the amphiphilic shift reagent incorporated in the liposome bilayer. It is also demonstrated that the shift contribution arising from the bulk magnetic susceptibility can be optimized through the modulation of the osmotic shrinkage. In terms of sensitivity, it is shown that the saturation transfer efficiency can be significantly improved by increasing the size of the vesicle, thus allowing a high number of exchangeable protons to be saturated. In addition, the role played by the intensity of the saturating radiofrequency field has also been highlighted.

Complexation-induced supramolecular assembly drives metal-ion extraction.

PubMed

Ellis, Ross J; Meridiano, Yannick; Muller, Julie; Berthon, Laurence; Guilbaud, Philippe; Zorz, Nicole; Antonio, Mark R; Demars, Thomas; Zemb, Thomas

2014-09-26

Combining experiment with theory reveals the role of self-assembly and complexation in metal-ion transfer through the water-oil interface. The coordinating metal salt Eu(NO3)3 was extracted from water into oil by a lipophilic neutral amphiphile. Molecular dynamics simulations were coupled to experimental spectroscopic and X-ray scattering techniques to investigate how local coordination interactions between the metal ion and ligands in the organic phase combine with long-range interactions to produce spontaneous changes in the solvent microstructure. Extraction of the Eu(3+)-3(NO3(-)) ion pairs involves incorporation of the "hard" metal complex into the core of "soft" aggregates. This seeds the formation of reverse micelles that draw the water and "free" amphiphile into nanoscale hydrophilic domains. The reverse micelles interact through attractive van der Waals interactions and coalesce into rod-shaped polynuclear Eu(III) -containing aggregates with metal centers bridged by nitrate. These preorganized hydrophilic domains, containing high densities of O-donor ligands and anions, provide improved Eu(III) solvation environments that help drive interfacial transfer, as is reflected by the increasing Eu(III) partitioning ratios (oil/aqueous) despite the organic phase approaching saturation. For the first time, this multiscale approach links metal-ion coordination with nanoscale structure to reveal the free-energy balance that drives the phase transfer of neutral metal salts. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Using a hybrid model to predict solute transfer from initially saturated soil into surface runoff with controlled drainage water.

PubMed

Tong, Juxiu; Hu, Bill X; Yang, Jinzhong; Zhu, Yan

2016-06-01

The mixing layer theory is not suitable for predicting solute transfer from initially saturated soil to surface runoff water under controlled drainage conditions. By coupling the mixing layer theory model with the numerical model Hydrus-1D, a hybrid solute transfer model has been proposed to predict soil solute transfer from an initially saturated soil into surface water, under controlled drainage water conditions. The model can also consider the increasing ponding water conditions on soil surface before surface runoff. The data of solute concentration in surface runoff and drainage water from a sand experiment is used as the reference experiment. The parameters for the water flow and solute transfer model and mixing layer depth under controlled drainage water condition are identified. Based on these identified parameters, the model is applied to another initially saturated sand experiment with constant and time-increasing mixing layer depth after surface runoff, under the controlled drainage water condition with lower drainage height at the bottom. The simulation results agree well with the observed data. Study results suggest that the hybrid model can accurately simulate the solute transfer from initially saturated soil into surface runoff under controlled drainage water condition. And it has been found that the prediction with increasing mixing layer depth is better than that with the constant one in the experiment with lower drainage condition. Since lower drainage condition and deeper ponded water depth result in later runoff start time, more solute sources in the mixing layer are needed for the surface water, and larger change rate results in the increasing mixing layer depth.

CEST: from basic principles to applications, challenges and opportunities

PubMed Central

Vinogradov, Elena; Sherry, A Dean; Lenkinski, Robert E

2012-01-01

Chemical Exchange Saturation Transfer (CEST) offers a new type of contrast for MRI that is molecule specific. In this approach, a slowly exchanging NMR active nucleus, typically a proton, possessing a chemical shift distinct from water is selectively saturated and the saturated spin is transferred to the bulk water via chemical exchange. Many molecules can act as CEST agents, both naturally occurring endogenous molecules and new types of exogenous agents. A large variety of molecules have been demonstrated as potential agents, including small diamagnetic molecules, complexes of paramagnetic ions, endogenous macromolecules, dendrimers and liposomes. In this review we described the basic principles of the CEST experiment, with emphasis on the similarity to earlier saturation transfer experiments described in the literature. Interest in quantitative CEST has also resulted in the development of new exchange-sensitive detection schemes. Some emerging clinical applications of CEST are described and the challenges and opportunities associated with translation of these methods to the clinical environment are discussed. PMID:23273841

Investigation of Readout RF Pulse Impact on the Chemical Exchange Saturation Transfer Spectrum

PubMed Central

Huang, Sheng-Min; Jan, Meei-Ling; Liang, Hsin-Chin; Chang, Chia-Hao; Wu, Yi-Chun; Tsai, Shang-Yueh; Wang, Fu-Nien

2015-01-01

Chemical exchange saturation transfer magnetic resonance imaging (CEST-MRI) is capable of both microenvironment and molecular imaging. The optimization of scanning parameters is important since the CEST effect is sensitive to factors such as saturation power and field homogeneity. The aim of this study was to determine if the CEST effect would be altered by changing the length of readout RF pulses. Both theoretical computer simulation and phantom experiments were performed to examine the influence of readout RF pulses. Our results showed that the length of readout RF pulses has unremarkable impact on the Z-spectrum and CEST effect in both computer simulation and phantom experiment. Moreover, we demonstrated that multiple refocusing RF pulses used in rapid acquisition with relaxation enhancement (RARE) sequence induced no obvious saturation transfer contrast. Therefore, readout RF pulse has negligible effect on CEST Z-spectrum and the optimization of readout RF pulse length can be disregarded in CEST imaging protocol. PMID:26455576

Tuning Confinement in Colloidal Silicon Nanocrystals with Saturated Surface Ligands.

PubMed

Carroll, Gerard M; Limpens, Rens; Neale, Nathan R

2018-05-09

The optical properties of silicon nanocrystals (Si NCs) are a subject of intense study and continued debate. In particular, Si NC photoluminescence (PL) properties are known to depend strongly on the surface chemistry, resulting in electron-hole recombination pathways derived from the Si NC band-edge, surface-state defects, or combined NC-conjugated ligand hybrid states. In this Letter, we perform a comparison of three different saturated surface functional groups-alkyls, amides, and alkoxides-on nonthermal plasma-synthesized Si NCs. We find a systematic and size-dependent high-energy (blue) shift in the PL spectrum of Si NCs with amide and alkoxy functionalization relative to alkyl. Time-resolved photoluminescence and transient absorption spectroscopies reveal no change in the excited-state dynamics between Si NCs functionalized with alkyl, amide, or alkoxide ligands, showing for the first time that saturated ligands-not only surface-derived charge-transfer states or hybridization between NC and low-lying ligand orbitals-are responsible for tuning the Si NC optical properties. To explain these PL shifts we propose that the atom bound to the Si NC surface strongly interacts with the Si NC electronic wave function and modulates the Si NC quantum confinement. These results reveal a potentially broadly applicable correlation between the optoelectronic properties of Si NCs and related quantum-confined structures based on the interaction between NC surfaces and the ligand binding group.

Tuning Confinement in Colloidal Silicon Nanocrystals with Saturated Surface Ligands

DOE PAGES

Carroll, Gerard M.; Limpens, Rens; Neale, Nathan R.

2018-04-16

The optical properties of silicon nanocrystals (Si NCs) are a subject of intense study and continued debate. In particular, Si NC photoluminescence (PL) properties are known to depend strongly on the surface chemistry, resulting in electron-hole recombination pathways derived from the Si NC band-edge, surface-state defects, or combined NC-conjugated ligand hybrid states. In this Letter, we perform a comparison of three different saturated surface functional groups - alkyls, amides, and alkoxides - on nonthermal plasma-synthesized Si NCs. We find a systematic and size-dependent high-energy (blue) shift in the PL spectrum of Si NCs with amide and alkoxy functionalization relative tomore » alkyl. Time-resolved photoluminescence and transient absorption spectroscopies reveal no change in the excited-state dynamics between Si NCs functionalized with alkyl, amide, or alkoxide ligands, showing for the first time that saturated ligands - not only surface-derived charge-transfer states or hybridization between NC and low-lying ligand orbitals - are responsible for tuning the Si NC optical properties. To explain these PL shifts we propose that the atom bound to the Si NC surface strongly interacts with the Si NC electronic wave function and modulates the Si NC quantum confinement. Furthermore, these results reveal a potentially broadly applicable correlation between the optoelectronic properties of Si NCs and related quantum-confined structures based on the interaction between NC surfaces and the ligand binding group.« less

7T Magnetization Transfer and Chemical Exchange Saturation Transfer MRI of Cortical Gray Matter: Can We Detect Neurochemical and Macromolecular Abnormalities

DTIC Science & Technology

2015-10-01

with fMRI , and CEST acquisitions. Analysis hurdles were noted in the qMT, which we discuss here. Recruitment continues in the MS cohort (all healthy...Saturation Transfer (CEST) • Magnetization Transfer (MT) • Brain • Cortical Gray Matter (cGM) • Multiple Sclerosis (MS) • Functional MRI ( fMRI ) • Pool Size...MPRAGE Anatomical – 2:12 • fMRI Resting State – 8:34 • fMRI N-Back task – 8:30 • fMRI Trailmaking task – 4:14 The current scan time for all scans is

Modelling mass transfer during venting/soil vapour extraction: Non-aqueous phase liquid/gas mass transfer coefficient estimation

NASA Astrophysics Data System (ADS)

Esrael, D.; Kacem, M.; Benadda, B.

2017-07-01

We investigate how the simulation of the venting/soil vapour extraction (SVE) process is affected by the mass transfer coefficient, using a model comprising five partial differential equations describing gas flow and mass conservation of phases and including an expression accounting for soil saturation conditions. In doing so, we test five previously reported quations for estimating the non-aqueous phase liquid (NAPL)/gas initial mass transfer coefficient and evaluate an expression that uses a reference NAPL saturation. Four venting/SVE experiments utilizing a sand column are performed with dry and non-saturated sand at low and high flow rates, and the obtained experimental results are subsequently simulated, revealing that hydrodynamic dispersion cannot be neglected in the estimation of the mass transfer coefficient, particularly in the case of low velocities. Among the tested models, only the analytical solution of a convection-dispersion equation and the equation proposed herein are suitable for correctly modelling the experimental results, with the developed model representing the best choice for correctly simulating the experimental results and the tailing part of the extracted gas concentration curve.

A computer program incorporating Pitzer's equations for calculation of geochemical reactions in brines

USGS Publications Warehouse

Plummer, Niel; Parkhurst, D.L.; Fleming, G.W.; Dunkle, S.A.

1988-01-01

The program named PHRQPITZ is a computer code capable of making geochemical calculations in brines and other electrolyte solutions to high concentrations using the Pitzer virial-coefficient approach for activity-coefficient corrections. Reaction-modeling capabilities include calculation of (1) aqueous speciation and mineral-saturation index, (2) mineral solubility, (3) mixing and titration of aqueous solutions, (4) irreversible reactions and mineral water mass transfer, and (5) reaction path. The computed results for each aqueous solution include the osmotic coefficient, water activity , mineral saturation indices, mean activity coefficients, total activity coefficients, and scale-dependent values of pH, individual-ion activities and individual-ion activity coeffients , and scale-dependent values of pH, individual-ion activities and individual-ion activity coefficients. A data base of Pitzer interaction parameters is provided at 25 C for the system: Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O, and extended to include largely untested literature data for Fe(II), Mn(II), Sr, Ba, Li, and Br with provision for calculations at temperatures other than 25C. An extensive literature review of published Pitzer interaction parameters for many inorganic salts is given. Also described is an interactive input code for PHRQPITZ called PITZINPT. (USGS)

Impurity coupled to an artificial magnetic field in a Fermi gas in a ring trap

NASA Astrophysics Data System (ADS)

Ünal, F. Nur; Hetényi, B.; Oktel, M. Ã.-.

2015-05-01

The dynamics of a single impurity interacting with a many-particle background is one of the central problems of condensed-matter physics. Recent progress in ultracold-atom experiments makes it possible to control this dynamics by coupling an artificial gauge field specifically to the impurity. In this paper, we consider a narrow toroidal trap in which a Fermi gas is interacting with a single atom. We show that an external magnetic field coupled to the impurity is a versatile tool to probe the impurity dynamics. Using a Bethe ansatz, we calculate the eigenstates and corresponding energies exactly as a function of the flux through the trap. Adiabatic change of flux connects the ground state to excited states due to flux quantization. For repulsive interactions, the impurity disturbs the Fermi sea by dragging the fermions whose momentum matches the flux. This drag transfers momentum from the impurity to the background and increases the effective mass. The effective mass saturates to the total mass of the system for infinitely repulsive interactions. For attractive interactions, the drag again increases the effective mass which quickly saturates to twice the mass of a single particle as a dimer of the impurity and one fermion is formed. For excited states with momentum comparable to number of particles, effective mass shows a resonant behavior. We argue that standard tools in cold-atom experiments can be used to test these predictions.

Some Boussinesq Equations with Saturation

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

Christou, M. A.

2010-11-25

We investigate numerically some Boussinesq type equations with square or cubic and saturated nonlinearity. We examine the propagation, interaction and overtake interaction of soliton solutions. Moreover, we examine the effect of the saturation term on the solution and compare it with the classical case of the square or cubic nonlinearity without saturation. We calculate numerically the phase shift experienced by the solitons upon collision and conclude the impact of saturation.

Sensitivity Analysis of Flux Determination in Heart by H2 18O -provided Labeling Using a Dynamic Isotopologue Model of Energy Transfer Pathways

PubMed Central

Schryer, David W.; Peterson, Pearu; Illaste, Ardo; Vendelin, Marko

2012-01-01

To characterize intracellular energy transfer in the heart, two organ-level methods have frequently been employed: inversion and saturation transfer, and dynamic labeling. Creatine kinase (CK) fluxes obtained by following oxygen labeling have been considerably smaller than the fluxes determined by saturation transfer. It has been proposed that dynamic labeling determines net flux through CK shuttle, whereas saturation transfer measures total unidirectional flux. However, to our knowledge, no sensitivity analysis of flux determination by oxygen labeling has been performed, limiting our ability to compare flux distributions predicted by different methods. Here we analyze oxygen labeling in a physiological heart phosphotransfer network with active CK and adenylate kinase (AdK) shuttles and establish which fluxes determine the labeling state. A mathematical model consisting of a system of ordinary differential equations was composed describing enrichment in each phosphoryl group and inorganic phosphate. By varying flux distributions in the model and calculating the labeling, we analyzed labeling sensitivity to different fluxes in the heart. We observed that the labeling state is predominantly sensitive to total unidirectional CK and AdK fluxes and not to net fluxes. We conclude that measuring dynamic incorporation of into the high-energy phosphotransfer network in heart does not permit unambiguous determination of energetic fluxes with a higher magnitude than the ATP synthase rate when the bidirectionality of fluxes is taken into account. Our analysis suggests that the flux distributions obtained using dynamic labeling, after removing the net flux assumption, are comparable with those from inversion and saturation transfer. PMID:23236266

Thymosin α1 Interacts with Exposed Phosphatidylserine in Membrane Models and in Cells and Uses Serum Albumin as a Carrier.

PubMed

Mandaliti, Walter; Nepravishta, Ridvan; Sinibaldi Vallebona, Paola; Pica, Francesca; Garaci, Enrico; Paci, Maurizio

2016-03-15

Thymosin α1 is a peptidic hormone with pleiotropic activity and is used in the therapy of several diseases. It is unstructured in water solution and interacts with negative regions of vesicles by assuming two tracts of helical conformation with a structural break between them. This study reports on Thymosin α1's interaction with mixed phospholipids phosphatidylcholine and phosphatidylserine, the negative component of the membranes, by ¹H and natural abundance ¹⁵N nuclear magnetic resonance (NMR). The results indicate that interaction occurs when the membrane is negatively charged by exposing phosphatidylserine. Moreover, the direct interaction of Thymosin α1 with K562 cells with an overexposure of phosphatidylserine as a consequence of resveratrol-induced apoptosis was conducted. Thymosin α1's interaction with human serum albumin was also investigated by NMR spectroscopy. Steady-state saturation transfer, transfer nuclear Overhauser effect spectroscopy, and diffusion-ordered spectroscopy methodologies all reveal that the C-terminal region of Thymosin α1 is involved in the interaction with serum albumin. These results may shed more light on Thymosin α1's mechanism of action by its insertion in negative regions of membranes due to the exposure of phosphatidylserine. Once Thymosin α1's N-terminus has been inserted into the membrane, the rest may interact with nearby proteins and/or receptors acting as effectors and causing a biological signaling cascade, thus exerting thymosin α1's pleiotropy.

Saturation of the lower-hybrid-drift instability by mode coupling

NASA Technical Reports Server (NTRS)

Drake, J. F.; Guzdar, P. N.; Huba, J. D.

1983-01-01

A nonlinear mode-coupling theory of the lower-hybrid-drift instability is presented. It is found that the instability saturates by transferring energy from the growing, long wavelength modes to the damped, short wavelength modes. The saturation energy, mean square of the potential fluctuations, and diffusion coefficient are calculated self-consistently.

The binding domain of the HMGB1 inhibitor carbenoxolone: Theory and experiment

NASA Astrophysics Data System (ADS)

Mollica, Luca; Curioni, Alessandro; Andreoni, Wanda; Bianchi, Marco E.; Musco, Giovanna

2008-05-01

We present a combined computational and experimental study of the interaction of the Box A of the HMGB1 protein and carbenoxolone, an inhibitor of its pro-inflammatory activity. The computational approach consists of classical molecular dynamics (MD) simulations based on the GROMOS force field with quantum-refined (QRFF) atomic charges for the ligand. Experimental data consist of fluorescence intensities, chemical shift displacements, saturation transfer differences and intermolecular Nuclear Overhauser Enhancement signals. Good agreement is found between observations and the conformation of the ligand-protein complex resulting from QRFF-MD. In contrast, simple docking procedures and MD based on the unrefined force field provide models inconsistent with experiment. The ligand-protein binding is dominated by non-directional interactions.

Modeling Droplet Heat and Mass Transfer during Spray Bar Pressure Control of the Multipurpose Hydrogen Test Bed (MHTB) Tank in Normal Gravity

NASA Technical Reports Server (NTRS)

Kartuzova, O.; Kassemi, M.

2016-01-01

A CFD model for simulating pressure control in cryogenic storage tanks through the injection of a subcooled liquid into the ullage is presented and applied to the 1g MHTB spray bar cooling experiments. An Eulerian-Lagrangian approach is utilized to track the spray droplets and capture the interaction between the discrete droplets and the continuous ullage phase. The spray model is coupled with the VOF model by performing particle tracking in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. A new model for calculating the droplet-ullage heat and mass transfer is developed. In this model, a droplet is allowed to warm up to the saturation temperature corresponding to the ullage vapor pressure, after which it evaporates while remaining at the saturation temperature. The droplet model is validated against the results of the MHTB spray-bar cooling experiments with 50% and 90% tank fill ratios. The predictions of the present T-sat based model are compared with those of a previously developed kinetic-based droplet mass transfer model. The predictions of the two models regarding the evolving tank pressure and temperature distributions, as well as the droplets' trajectories and temperatures, are examined and compared in detail. Finally, the ullage pressure and local vapor and liquid temperature evolutions are validated against the corresponding data provided by the MHTB spray bar mixing experiment.

Interaction of a parabolic-shaped pulse pair in a passively mode-locked Yb-doped fiber laser

NASA Astrophysics Data System (ADS)

Wang, Da-Shuai; Wu, Ge; Gao, Bo; Tian, Xiao-Jian

2013-01-01

We numerically investigate the formation and interaction of a parabolic-shaped pulse pair in a passively mode-locked Yb-doped fiber laser. Based on a lumped model, the parabolic-shaped pulse pair is obtained by controlling the inter-cavity average dispersion and gain saturation energy, Moreover, pulse repulsive and attractive motion are also achieved with different pulse separations. Simulation results show that the phase shift plays an important role in pulse interaction, and the interaction is determined by the inter-cavity average dispersion and gain saturation energy, i.e., the strength of the interaction is proportional to the gain saturation energy, a stronger gain saturation energy will result in a higher interaction intensity. On the contrary, the increase of the inter-cavity dispersion will counterbalance some interaction force. The results also show that the interaction of a parabolic-shaped pulse pair has a larger interaction distance compared to conventional solitons.

Impact of Fe powder sintering and soldering in production of porous heating surface on flow boiling heat transfer in minichannels

NASA Astrophysics Data System (ADS)

Depczyński, Wojciech; Piasecki, Artur; Piasecka, Magdalena; Strąk, Kinga

2017-10-01

This paper focuses on identification of the impact of porous heated surface on flow boiling heat transfer in a rectangular minichannel. The heated element for Fluorinert FC-72 was a thin plate made of Haynes-230. Infrared thermography was used to determine changes in the temperature on its outer smooth side. The porous surface in contact with the fluid in the minichannel was produced in two processes: sintering or soldering of Fe powder to the plate. The results were presented as relationships between the heat transfer coefficient and the distance from the minichannel inlet and as boiling curves. Results obtained for using a smooth heated plate at the saturated boiling region were also presented to compare. In the subcooled boiling region, at a higher heat flux, the heat transfer coefficient was slightly higher for the surface prepared via soldering. In the saturated boiling region, the local heat transfer coefficients obtained for the smooth plate surface were slightly higher than those achieved from the sintered plate surface. The porous structures formed have low thermal conductivity. This may induce noticeable thermal resistance at the diffusion bridges of the sintered structures, in particular within the saturated boiling region.

Numerical study of heat and mass transfer in inertial suspensions in pipes.

NASA Astrophysics Data System (ADS)

Niazi Ardekani, Mehdi; Brandt, Luca

2017-11-01

Controlling heat and mass transfer in particulate suspensions has many important applications such as packed and fluidized bed reactors and industrial dryers. In this work, we study the heat and mass transfer within a suspension of spherical particles in a laminar pipe flow, using the immersed boundary method (IBM) to account for the solid fluid interactions and a volume of fluid (VoF) method to resolve temperature equation both inside and outside of the particles. Tracers that follow the fluid streamlines are considered to investigate mass transfer within the suspension. Different particle volume fractions 5, 15, 30 and 40% are simulated for different pipe to particle diameter ratios: 5, 10 and 15. The preliminary results quantify the heat and mass transfer enhancement with respect to a single-phase laminar pipe flow. We show in particular that the heat transfer from the wall saturates for volume fractions more than 30%, however at high particle Reynolds numbers (small diameter ratios) the heat transfer continues to increase. Regarding the dispersion of tracer particles we show that the diffusivity of tracers increases with volume fraction in radial and stream-wise directions however it goes through a peak at 15% in the azimuthal direction. European Research Council, Grant No. ERC-2013-CoG- 616186, TRITOS; SNIC (the Swedish National Infrastructure for Computing).

Quantification of in vivo pH-weighted amide proton transfer (APT) MRI in acute ischemic stroke

NASA Astrophysics Data System (ADS)

Zhou, Iris Y.; Igarashi, Takahiro; Guo, Yingkun; Sun, Phillip Z.

2015-03-01

Amide proton transfer (APT) imaging is a specific form of chemical exchange saturation transfer (CEST) MRI that probes the pH-dependent amide proton exchange.The endogenous APT MRI is sensitive to tissue acidosis, which may complement the commonly used perfusion and diffusion scans for characterizing heterogeneous ischemic tissue damage. Whereas the saturation transfer asymmetry analysis (MTRasym) may reasonably compensate for direct RF saturation, in vivo MTRasym is however, susceptible to an intrinsically asymmetric shift (MTR'asym). Specifically, the reference scan for the endogenous APT MRI is 7 ppm upfield from that of the label scan, and subjects to concomitant RF irradiation effects, including nuclear overhauser effect (NOE)-mediated saturation transfer and semisolid macromolecular magnetization transfer. As such, the commonly used asymmetry analysis could not fully compensate for such slightly asymmetric concomitant RF irradiation effects, and MTRasym has to be delineated in order to properly characterize the pH-weighted APT MRI contrast. Given that there is very little change in relaxation time immediately after ischemia and the concomitant RF irradiation effects only minimally depends on pH, the APT contrast can be obtained as the difference of MTRasym between the normal and ischemic regions. Thereby, the endogenous amide proton concentration and exchange rate can be solved using a dual 2-pool model, and the in vivo MTR'asym can be calculated by subtracting the solved APT contrast from asymmetry analysis (i.e., MTR'asym =MTRasym-APTR). In addition, MTR'asym can be quantified using the classical 2-pool exchange model. In sum, our study delineated the conventional in vivo pH-sensitive MTRasym contrast so that pHspecific contrast can be obtained for imaging ischemic tissue acidosis.

Modeling of zero gravity venting: Studies of two-phase heat transfer under reduced gravity

NASA Technical Reports Server (NTRS)

Merte, H., Jr.

1986-01-01

The objective is to predict the pressure response of a saturated liquid-vapor system when undergoing a venting or depressurization process in zero gravity at low vent rates. An experimental investigation of the venting of cylindrical containers partially filled with initially saturated liquids was previously conducted under zero-gravity conditions and compared with an analytical model which incorporated the effect of interfacial mass transfer on the ullage pressure response during venting. A new model is presented to improve the estimation of the interfacial mass transfer. Duhammel's superposition integral is incorporated to approximate the transient temperature response of the interface, treating the liquid as a semi-infinite solid with conduction heat transfer. Account is also taken of the condensation taking place within the bulk of a saturated vapor as isentropic expansion takes place. Computational results are presented for the venting of R-11 from a given vessel and initial state for five different venting rates over a period of three seconds, and compared to prior NASA experiments. An improvement in the prediction of the final pressure takes place, but is still considerably below the measurements.

Impact of plant shoot architecture on leaf cooling: a coupled heat and mass transfer model

PubMed Central

Bridge, L. J.; Franklin, K. A.; Homer, M. E.

2013-01-01

Plants display a range of striking architectural adaptations when grown at elevated temperatures. In the model plant Arabidopsis thaliana, these include elongation of petioles, and increased petiole and leaf angles from the soil surface. The potential physiological significance of these architectural changes remains speculative. We address this issue computationally by formulating a mathematical model and performing numerical simulations, testing the hypothesis that elongated and elevated plant configurations may reflect a leaf-cooling strategy. This sets in place a new basic model of plant water use and interaction with the surrounding air, which couples heat and mass transfer within a plant to water vapour diffusion in the air, using a transpiration term that depends on saturation, temperature and vapour concentration. A two-dimensional, multi-petiole shoot geometry is considered, with added leaf-blade shape detail. Our simulations show that increased petiole length and angle generally result in enhanced transpiration rates and reduced leaf temperatures in well-watered conditions. Furthermore, our computations also reveal plant configurations for which elongation may result in decreased transpiration rate owing to decreased leaf liquid saturation. We offer further qualitative and quantitative insights into the role of architectural parameters as key determinants of leaf-cooling capacity. PMID:23720538

Ligand-receptor binding affinities from saturation transfer difference (STD) NMR spectroscopy: the binding isotherm of STD initial growth rates.

PubMed

Angulo, Jesús; Enríquez-Navas, Pedro M; Nieto, Pedro M

2010-07-12

The direct evaluation of dissociation constants (K(D)) from the variation of saturation transfer difference (STD) NMR spectroscopy values with the receptor-ligand ratio is not feasible due to the complex dependence of STD intensities on the spectral properties of the observed signals. Indirect evaluation, by competition experiments, allows the determination of K(D), as long as a ligand of known affinity is available for the protein under study. Herein, we present a novel protocol based on STD NMR spectroscopy for the direct measurements of receptor-ligand dissociation constants (K(D)) from single-ligand titration experiments. The influence of several experimental factors on STD values has been studied in detail, confirming the marked impact on standard determinations of protein-ligand affinities by STD NMR spectroscopy. These factors, namely, STD saturation time, ligand residence time in the complex, and the intensity of the signal, affect the accumulation of saturation in the free ligand by processes closely related to fast protein-ligand rebinding and longitudinal relaxation of the ligand signals. The proposed method avoids the dependence of the magnitudes of ligand STD signals at a given saturation time on spurious factors by constructing the binding isotherms using the initial growth rates of the STD amplification factors, in a similar way to the use of NOE growing rates to estimate cross relaxation rates for distance evaluations. Herein, it is demonstrated that the effects of these factors are cancelled out by analyzing the protein-ligand association curve using STD values at the limit of zero saturation time, when virtually no ligand rebinding or relaxation takes place. The approach is validated for two well-studied protein-ligand systems: the binding of the saccharides GlcNAc and GlcNAcbeta1,4GlcNAc (chitobiose) to the wheat germ agglutinin (WGA) lectin, and the interaction of the amino acid L-tryptophan to bovine serum albumin (BSA). In all cases, the experimental K(D) measured under different experimental conditions converged to the thermodynamic values. The proposed protocol allows accurate determinations of protein-ligand dissociation constants, extending the applicability of the STD NMR spectroscopy for affinity measurements, which is of particular relevance for those proteins for which a ligand of known affinity is not available.

Tissue Characterization with Quantitative High-Resolution Magic Angle Spinning Chemical Exchange Saturation Transfer Z-Spectroscopy.

PubMed

Zhou, Iris Yuwen; Fuss, Taylor L; Igarashi, Takahiro; Jiang, Weiping; Zhou, Xin; Cheng, Leo L; Sun, Phillip Zhe

2016-11-01

Chemical exchange saturation transfer (CEST) provides sensitive magnetic resonance (MR) contrast for probing dilute compounds via exchangeable protons, serving as an emerging molecular imaging methodology. CEST Z-spectrum is often acquired by sweeping radiofrequency saturation around bulk water resonance, offset by offset, to detect CEST effects at characteristic chemical shift offsets, which requires prolonged acquisition time. Herein, combining high-resolution magic angle spinning (HRMAS) with concurrent application of gradient and rf saturation to achieve fast Z-spectral acquisition, we demonstrated the feasibility of fast quantitative HRMAS CEST Z-spectroscopy. The concept was validated with phantoms, which showed excellent agreement with results obtained from conventional HRMAS MR spectroscopy (MRS). We further utilized the HRMAS Z-spectroscopy for fast ex vivo quantification of ischemic injury with rodent brain tissues after ischemic stroke. This method allows rapid and quantitative CEST characterization of biological tissues and shows potential for a host of biomedical applications.

Reactive Gas transport in soil: Kinetics versus Local Equilibrium Approach

NASA Astrophysics Data System (ADS)

Geistlinger, Helmut; Jia, Ruijan

2010-05-01

Gas transport through the unsaturated soil zone was studied using an analytical solution of the gas transport model that is mathematically equivalent to the Two-Region model. The gas transport model includes diffusive and convective gas fluxes, interphase mass transfer between the gas and water phase, and biodegradation. The influence of non-equilibrium phenomena, spatially variable initial conditions, and transient boundary conditions are studied. The objective of this paper is to compare the kinetic approach for interphase mass transfer with the standard local equilibrium approach and to find conditions and time-scales under which the local equilibrium approach is justified. The time-scale of investigation was limited to the day-scale, because this is the relevant scale for understanding gas emission from the soil zone with transient water saturation. For the first time a generalized mass transfer coefficient is proposed that justifies the often used steady-state Thin-Film mass transfer coefficient for small and medium water-saturated aggregates of about 10 mm. The main conclusion from this study is that non-equilibrium mass transfer depends strongly on the temporal and small-scale spatial distribution of water within the unsaturated soil zone. For regions with low water saturation and small water-saturated aggregates (radius about 1 mm) the local equilibrium approach can be used as a first approximation for diffusive gas transport. For higher water saturation and medium radii of water-saturated aggregates (radius about 10 mm) and for convective gas transport, the non-equilibrium effect becomes more and more important if the hydraulic residence time and the Damköhler number decrease. Relative errors can range up to 100% and more. While for medium radii the local equilibrium approach describes the main features both of the spatial concentration profile and the time-dependence of the emission rate, it fails completely for larger aggregates (radius about 100 mm). From the comparative study of relevant scenarios with and without biodegradation it can be concluded that, under realistic field conditions, biodegradation within the immobile water phase is often mass-transfer limited and the local equilibrium approach assuming instantaneous mass transfer becomes rather questionable. References Geistlinger, H., Ruiyan Jia, D. Eisermann, and C.-F. Stange (2008): Spatial and temporal variability of dissolved nitrous oxide in near-surface groundwater and bubble-mediated mass transfer to the unsaturated zone, J. Plant Nutrition and Soil Science, in press. Geistlinger, H. (2009) Vapor transport in soil: concepts and mathematical description. In: Eds.: S. Saponari, E. Sezenna, and L. Bonoma, Vapor emission to outdoor air and enclosed spaces for human health risk assessment: Site characterization, monitoring, and modeling. Nova Science Publisher. Milano. Accepted for publication.

Regeneration of spent powdered activated carbon saturated with inorganic ions by cavitation united with ion exchange method.

PubMed

Li, Gang; Gao, Hong; Li, Yansheng; Yang, Huixin

2011-06-01

Using ion exchange resin as transfer media, regenerate powdered activated carbon (PAC) adsorbed inorganic ions by cavitation to enhance the transfer; we studied how the regeneration time and the mass ratio of resin and PAC influence the regeneration rate respectively through re-adsorption. The result showed that the effective regeneration of PAC saturated with inorganic ions was above 90% using ion exchange resin as media and transfer carrier, the quantity of PAC did not reduced but activated in the process. Copyright © 2011 The Research Centre for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

Magnetization transfer contrast-suppressed imaging of amide proton transfer and relayed nuclear overhauser enhancement chemical exchange saturation transfer effects in the human brain at 7T.

PubMed

Xu, Xiang; Yadav, Nirbhay N; Zeng, Haifeng; Jones, Craig K; Zhou, Jinyuan; van Zijl, Peter C M; Xu, Jiadi

2016-01-01

To use the variable delay multipulse (VDMP) chemical exchange saturation transfer (CEST) approach to obtain clean amide proton transfer (APT) and relayed Nuclear Overhauser enhancement (rNOE) CEST images in the human brain by suppressing the conventional magnetization transfer contrast (MTC) and reducing the direct water saturation contribution. The VDMP CEST scheme consists of a train of RF pulses with a specific mixing time. The CEST signal with respect to the mixing time shows distinguishable characteristics for protons with different exchange rates. Exchange rate filtered CEST images are generated by subtracting images acquired at two mixing times at which the MTC signals are equal, while the APT and rNOE-CEST signals differ. Because the subtraction is performed at the same frequency offset for each voxel and the CEST signals are broad, no B0 correction is needed. MTC-suppressed APT and rNOE-CEST images of human brain were obtained using the VDMP method. The APT-CEST data show hyperintensity in gray matter versus white matter, whereas the rNOE-CEST images show negligible contrast between gray and white matter. The VDMP approach provides a simple and rapid way of recording MTC-suppressed APT-CEST and rNOE-CEST images without the need for B0 field correction. © 2015 Wiley Periodicals, Inc.

Interaction Between Cyanine Dye IR-783 and Polystyrene Nanoparticles in Solution.

PubMed

Zhang, Yunzhi; Xu, Hui; Casabianca, Leah B

2018-05-17

The interactions between small molecule drugs or dyes and nanoparticles are important to the use of nanoparticles in medicine. Noncovalent adsorption of dyes on nanoparticle surfaces is also important to the development of nanoparticle dual-use imaging contrast agents. In the present work, solution-state NMR is used to examine the noncovalent interaction between a near-infrared cyanine dye and the surface of polystyrene nanoparticles in solution. Using 1D proton NMR, we can approximate the number of dye molecules that associate with each nanoparticle for different sized nanoparticles. Saturation-Transfer Difference (STD)-NMR was also used to show that protons near the positively-charged nitrogen in the dye are more strongly associated with the negatively-charged nanoparticle surface than protons near the negatively-charged sulfate groups of the dye. The methods described here can be used to study similar drug or dye molecules interacting with the surface of organic nanoparticles. This article is protected by copyright. All rights reserved.

Make dark matter charged again

NASA Astrophysics Data System (ADS)

Agrawal, Prateek; Cyr-Racine, Francis-Yan; Randall, Lisa; Scholtz, Jakub

2017-05-01

We revisit constraints on dark matter that is charged under a U(1) gauge group in the dark sector, decoupled from Standard Model forces. We find that the strongest constraints in the literature are subject to a number of mitigating factors. For instance, the naive dark matter thermalization timescale in halos is corrected by saturation effects that slow down isotropization for modest ellipticities. The weakened bounds uncover interesting parameter space, making models with weak-scale charged dark matter viable, even with electromagnetic strength interaction. This also leads to the intriguing possibility that dark matter self-interactions within small dwarf galaxies are extremely large, a relatively unexplored regime in current simulations. Such strong interactions suppress heat transfer over scales larger than the dark matter mean free path, inducing a dynamical cutoff length scale above which the system appears to have only feeble interactions. These effects must be taken into account to assess the viability of darkly-charged dark matter. Future analyses and measurements should probe a promising region of parameter space for this model.

Ultrafast carrier dynamics in bilayer graphene studied by broadband infrared pump-probe spectroscopy

NASA Astrophysics Data System (ADS)

Limmer, Thomas; da Como, Enrico; Niggebaum, Alexander; Feldmann, Jochen

2010-03-01

Recently, bilayer graphene gained a large interest because of its electrically tunable gap appearing in the middle infrared part of the electromagnetic spectrum. This feature is expected to open a number of applications of bilayer graphene in optoelectronics. In this communication we report on the first pump-probe experiment on a single bilayer flake with an unprecedented probe photon energy interval (0.25 -- 1.3 eV). Single flakes were prepared by mechanical exfoliation of graphite and transferred to calcium fluoride substrates. When illuminated with 800 nm (1.5 eV) pump pulses the induced change in transmission shows an ultrafast saturation of the interband transitions from 1.3 to 0.5 eV. In this energy range the saturation recovery occurs within 3 ps and is consistent with an ultrafast relaxation of hot carriers. Interestingly, we report on the observation of a resonance at 0.4 eV characterized by a longer dynamics. The results are discussed considering many-body interactions.

Spin-locking vs. chemical exchange saturation transfer MRI for investigating chemical exchange process between water and labile metabolite protons

PubMed Central

Jin, Tao; Autio, Joonas; Obata, Takayuki; Kim, Seong-Gi

2010-01-01

Chemical exchange saturation transfer (CEST) and spin-locking (SL) experiments were both able to probe the exchange process between protons of non-equivalent chemical environments. To compare the characteristics of the CEST and SL approaches in the study of chemical exchange effects, we performed CEST and SL experiments at varied pH and concentrated metabolites with exchangeable amide, amine, and hydroxyl protons at 9.4 T. Our results show that: i) On-resonance SL is most sensitive to chemical exchanges in the intermediate exchange regime and is able to detect hydroxyl and amine protons on a millimolar concentration scale. Off-resonance SL and CEST approaches are sensitive to slow-exchanging protons when an optimal SL or saturation pulse power matches the exchanging rate, respectively. ii) Offset frequency-dependent SL and CEST spectra are very similar, and can be explained well with an SL model recently developed by Trott and Palmer. iii) The exchange rate and population of metabolite protons can be determined from offset-dependent SL or CEST spectra or from on-resonance SL relaxation dispersion measurements. iv) The asymmetry of the magnetization transfer ratio (MTRasym) is highly dependent on the choice of saturation pulse power. In the intermediate exchange regime, MTRasym becomes complicated and should be interpreted with care. PMID:21500270

Light Increases Energy Transfer Efficiency in a Boreal Stream

PubMed Central

Lesutienė, Jūratė; Gorokhova, Elena; Stankevičienė, Daiva; Bergman, Eva; Greenberg, Larry

2014-01-01

Periphyton communities of a boreal stream were exposed to different light and nutrient levels to estimate energy transfer efficiency from primary to secondary producers using labeling with inorganic 13C. In a one-day field experiment, periphyton grown in fast-flow conditions and dominated by opportunistic green algae were exposed to light levels corresponding to sub-saturating (forest shade) and saturating (open stream section) irradiances, and to N and P nutrient additions. In a two-week laboratory experiment, periphyton grown in low-flow conditions and dominated by slowly growing diatoms were incubated under two sub-saturating light and nutrient enrichment levels as well as grazed and non-grazed conditions. Light had significant positive effect on 13C uptake by periphyton. In the field experiment, P addition had a positive effect on 13C uptake but only at sub-saturating light levels, whereas in the laboratory experiment nutrient additions had no effect on the periphyton biomass, 13C uptake, biovolume and community composition. In the laboratory experiment, the grazer (caddisfly) effect on periphyton biomass specific 13C uptake and nutrient content was much stronger than the effects of light and nutrients. In particular, grazers significantly reduced periphyton biomass and increased biomass specific 13C uptake and C:nutrient ratios. The energy transfer efficiency, estimated as a ratio between 13C uptake by caddisfly and periphyton, was positively affected by light conditions, whereas the nutrient effect was not significant. We suggest that the observed effects on energy transfer were related to the increased diet contribution of highly palatable green algae, stimulated by higher light levels. Also, high heterotrophic microbial activity under low light levels would facilitate energy loss through respiration and decrease overall trophic transfer efficiency. These findings suggest that even a small increase in light intensity could result in community-wide effects on periphyton in boreal streams, with a subsequent increase in energy transfer and system productivity. PMID:25412343

A complete two-phase model of a porous cathode of a PEM fuel cell

NASA Astrophysics Data System (ADS)

Hwang, J. J.

This paper has developed a complete two-phase model of a proton exchange membrane (PEM) fuel cell by considering fluid flow, heat transfer and current simultaneously. In fluid flow, two momentum equations governing separately the gaseous-mixture velocity (u g) and the liquid-water velocity (u w) illustrate the behaviors of the two-phase flow in a porous electrode. Correlations for the capillary pressure and the saturation level connect the above two-fluid transports. In heat transfer, a local thermal non-equilibrium (LTNE) model accounting for intrinsic heat transfer between the reactant fluids and the solid matrices depicts the interactions between the reactant-fluid temperature (T f) and the solid-matrix temperature (T s). The irreversibility heating due to electrochemical reactions, Joule heating arising from Ohmic resistance, and latent heat of water condensation/evaporation are considered in the present non-isothermal model. In current, Ohm's law is applied to yield the conservations in ionic current (i m) and electronic current (i s) in the catalyst layer. The Butler-Volmer correlation describes the relation of the potential difference (overpotential) and the transfer current between the electrolyte (such as Nafion™) and the catalyst (such as Pt/C).

Effects of finite wall thickness and sinusoidal heating on convection in nanofluid-saturated local thermal non-equilibrium porous cavity

NASA Astrophysics Data System (ADS)

Alsabery, A. I.; Chamkha, A. J.; Saleh, H.; Hashim, I.; Chanane, B.

2017-03-01

The effects of finite wall thickness and sinusoidal heating on convection in a nanofluid-saturated local thermal non-equilibrium (LTNE) porous cavity are studied numerically using the finite difference method. The finite thickness vertical wall of the cavity is maintained at a constant temperature and the right wall is heated sinusoidally. The horizontal insulated walls allow no heat transfer to the surrounding. The Darcy law is used along with the Boussinesq approximation for the flow. Water-based nanofluids with Cu nanoparticles are chosen for investigation. The results of this study are obtained for various parameters such as the Rayleigh number, periodicity parameter, nanoparticles volume fraction, thermal conductivity ratio, ratio of wall thickness to its height and the modified conductivity ratio. Explanation for the influence of the various above-mentioned parameters on the streamlines, isotherms, local Nusselt number and the weighted average heat transfer is provided with regards to the thermal conductivities of nanoparticles suspended in the pure fluid and the porous medium. It is shown that the overall heat transfer is significantly increased with the relative non-uniform heating. Further, the convection heat transfer is shown to be inhibited by the presence of the solid wall. The results have possible applications in the heat-storage fluid-saturated porous systems and the applications of the high power heat transfer.

Graphene-clad microfibre saturable absorber for ultrafast fibre lasers.

PubMed

Liu, X M; Yang, H R; Cui, Y D; Chen, G W; Yang, Y; Wu, X Q; Yao, X K; Han, D D; Han, X X; Zeng, C; Guo, J; Li, W L; Cheng, G; Tong, L M

2016-05-16

Graphene, whose absorbance is approximately independent of wavelength, allows broadband light-matter interactions with ultrafast responses. The interband optical absorption of graphene can be saturated readily under strong excitation, thereby enabling scientists to exploit the photonic properties of graphene to realize ultrafast lasers. The evanescent field interaction scheme of the propagating light with graphene covered on a D-shaped fibre or microfibre has been employed extensively because of the nonblocking configuration. Obviously, most of the fibre surface is unused in these techniques. Here, we exploit a graphene-clad microfibre (GCM) saturable absorber in a mode-locked fibre laser for the generation of ultrafast pulses. The proposed all-surface technique can guarantee a higher efficiency of light-graphene interactions than the aforementioned techniques. Our GCM-based saturable absorber can generate ultrafast optical pulses within 1.5 μm. This saturable absorber is compatible with current fibre lasers and has many merits such as low saturation intensities, ultrafast recovery times, and wide wavelength ranges. The proposed saturable absorber will pave the way for graphene-based wideband photonics.

Graphene-clad microfibre saturable absorber for ultrafast fibre lasers

PubMed Central

Liu, X. M.; Yang, H. R.; Cui, Y. D.; Chen, G. W.; Yang, Y.; Wu, X. Q.; Yao, X. K.; Han, D. D.; Han, X. X.; Zeng, C.; Guo, J.; Li, W. L.; Cheng, G.; Tong, L. M.

2016-01-01

Graphene, whose absorbance is approximately independent of wavelength, allows broadband light–matter interactions with ultrafast responses. The interband optical absorption of graphene can be saturated readily under strong excitation, thereby enabling scientists to exploit the photonic properties of graphene to realize ultrafast lasers. The evanescent field interaction scheme of the propagating light with graphene covered on a D-shaped fibre or microfibre has been employed extensively because of the nonblocking configuration. Obviously, most of the fibre surface is unused in these techniques. Here, we exploit a graphene-clad microfibre (GCM) saturable absorber in a mode-locked fibre laser for the generation of ultrafast pulses. The proposed all-surface technique can guarantee a higher efficiency of light–graphene interactions than the aforementioned techniques. Our GCM-based saturable absorber can generate ultrafast optical pulses within 1.5 μm. This saturable absorber is compatible with current fibre lasers and has many merits such as low saturation intensities, ultrafast recovery times, and wide wavelength ranges. The proposed saturable absorber will pave the way for graphene-based wideband photonics. PMID:27181419

Accounting for the Effect of Noncondensing Gases on Interphasic Heat and Mass Transfer in the Two-Fluid Model Used in the KORSAR Code

NASA Astrophysics Data System (ADS)

Yudov, Yu. V.

2018-03-01

A model is presented of the interphasic heat and mass transfer in the presence of noncondensable gases for the KORSAR/GP design code. This code was developed by FGUP NITI and the special design bureau OKB Gidropress. It was certified by Rostekhnadzor in 2009 for numerical substantiation of the safety of reactor installations with VVER reactors. The model is based on the assumption that there are three types of interphasic heat and mass transfer of the vapor component: vapor condensation or evaporation on the interphase under any thermodynamic conditions of the phases, pool boiling of the liquid superheated above the saturation temperature at the total pressure, and spontaneous condensation in the volume of gas phase supercooled below the saturation temperature at the vapor partial pressure. Condensation and evaporation on the interphase continuously occur in a two-phase flow and control the time response of the interphase heat and mass transfer. Boiling and spontaneous condensation take place only at the metastable condition of the phases and run at a quite high speed. The procedure used for calculating condensation and evaporation on the interphase accounts for the combined diffusion and thermal resistance of mass transfer in all regimes of the two-phase flow. The proposed approach accounts for, in a natural manner, a decrease in the rate of steam condensation (or generation) in the presence of noncondensing components in the gas phase due to a decrease (or increase) in the interphase temperature relative to the saturation temperature at the vapor partial pressure. The model of the interphase heat transfer also accounts for the processes of dissolution or release of noncondensing components in or from the liquid. The gas concentration at the interphase and on the saturation curve is calculated by the Henry law. The mass transfer coefficient in gas dissolution is based on the heat and mass transfer analogy. Results are presented of the verification of the interphase heat and mass transfer used in the KORSAR/GP code based on the data on film condensation of steam-air flows in vertical pipes. The proposed model was also tested by solving a problem of nitrogen release from a supersaturated water solution.

Assembling non-ferromagnetic materials to ferromagnetic architectures using metal-semiconductor interfaces

PubMed Central

Ma, Ji; Liu, Chunting; Chen, Kezheng

2016-01-01

In this work, a facile and versatile solution route was used to fabricate room-temperature ferromagnetic fish bone-like, pteridophyte-like, poplar flower-like, cotton-like Cu@Cu2O architectures and golfball-like Cu@ZnO architecture. The ferromagnetic origins in these architectures were found to be around metal-semiconductor interfaces and defects, and the root cause for their ferromagnetism lay in charge transfer processes from metal Cu to semiconductors Cu2O and ZnO. Owing to different metallization at their interfaces, these architectures exhibited different ferromagnetic behaviors, including coercivity, saturation magnetization as well as magnetic interactions. PMID:27680286

A nuclear magnetic resonance study of the dynamics of organofluorine interactions with a dissolved humic acid.

PubMed

Longstaffe, James G; Courtier-Murias, Denis; Simpson, Andre J

2016-02-01

A quantitative understanding of the dynamics of the interactions between organofluorine compounds and humic acids will contribute to an improved understanding of the role that Natural Organic Matter plays as a mediator in the fate, transport and distribution of these contaminants in the environment. Here, Nuclear Magnetic Resonance (NMR) spectroscopy-based diffusion measurements are used to estimate the association dynamics between dissolved humic acid and selected organofluorine compounds: pentafluoroaniline, pentafluorophenol, potassium perfluorooctane sulfonate, and perfluorooctanoic acid. Under the conditions used here, the strength of the association with humic acid increases linearly as temperature decreases for all compounds except for perfluorooctanoic acid, which exhibits divergent behavior with a non-linear decrease in the extent of interaction as temperature decreases. A general interaction mechanism controlled largely by desolvation effects is suggested for all compounds examined here except for perfluorooctanoic acid, which exhibits a specific mode of interaction consistent with a proteinaceous binding site. Reverse Heteronuclear Saturation Transfer Difference NMR is used to confirm the identity and nature of the humic acid binding sites. Copyright © 2015 Elsevier Ltd. All rights reserved.

CGC/saturation approach: Soft interaction at the LHC energies

NASA Astrophysics Data System (ADS)

Gotsman, E.; Levin, E.; Potashnikova, I.

2018-06-01

In this paper we demonstrate that our model which is based on the CGC/saturation approach, is able to describe the soft interaction collisions including the new TOTEM preliminary data at 13 TeV. We believe that this strengthens the argument that the CGC/saturation approach is the only viable candidate for an effective theory for high energy QCD.

Experimental study of the condensation heat transfer characteristics of CO2 in a horizontal microfin tube with a diameter of 4.95 mm

NASA Astrophysics Data System (ADS)

Son, Chang-Hyo; Oh, Hoo-Kyu

2012-11-01

The condensation heat transfer characteristics for CO2 flowing in a horizontal microfin tube were investigated by experiment with respect to condensation temperature and mass flux. The test section consists of a 2,400 mm long horizontal copper tube of 4.6 mm inner diameter. The experiments were conducted at refrigerant mass flux of 400-800 kg/m2s, and saturation temperature of 20-30 °C. The main experimental results showed that annular flow was highly dominated the majority of condensation flow in the horizontal microfin tube. The condensation heat transfer coefficient increases with decreasing saturation temperature and increasing mass flux. The experimental data were compared against previous heat transfer correlations. Most correlations failed to predict the experimental data. However, the correlation by Cavallini et al. showed relatively good agreement with experimental data in the microfin tube. Therefore, a new condensation heat transfer correlation is proposed with mean and average deviations of 3.14 and -7.6 %, respectively.

Experimental Investigation of Mechanical Properties of Black Shales after CO2-Water-Rock Interaction

PubMed Central

Lyu, Qiao; Ranjith, Pathegama Gamage; Long, Xinping; Ji, Bin

2016-01-01

The effects of CO2-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO2 in shale reservoirs. In this study, uniaxial compressive strength (UCS) tests together with an acoustic emission (AE) system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days) in water dissoluted with gaseous/super-critical CO2. According to the experimental results, the values of UCS, Young’s modulus and brittleness index decrease gradually with increasing saturation time in water with gaseous/super-critical CO2. Compared to samples without saturation, 30-day saturation causes reductions of 56.43% in UCS and 54.21% in Young’s modulus for gaseous saturated samples, and 66.05% in UCS and 56.32% in Young’s modulus for super-critical saturated samples, respectively. The brittleness index also decreases drastically from 84.3% for samples without saturation to 50.9% for samples saturated in water with gaseous CO2, to 47.9% for samples saturated in water with super-critical carbon dioxide (SC-CO2). SC-CO2 causes a greater reduction of shale’s mechanical properties. The crack propagation results obtained from the AE system show that longer saturation time produces higher peak cumulative AE energy. SEM images show that many pores occur when shale samples are saturated in water with gaseous/super-critical CO2. The EDS results show that CO2-water-rock interactions increase the percentages of C and Fe and decrease the percentages of Al and K on the surface of saturated samples when compared to samples without saturation. PMID:28773784

Experimental Investigation of Mechanical Properties of Black Shales after CO₂-Water-Rock Interaction.

PubMed

Lyu, Qiao; Ranjith, Pathegama Gamage; Long, Xinping; Ji, Bin

2016-08-06

The effects of CO₂-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO₂ in shale reservoirs. In this study, uniaxial compressive strength (UCS) tests together with an acoustic emission (AE) system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days) in water dissoluted with gaseous/super-critical CO₂. According to the experimental results, the values of UCS, Young's modulus and brittleness index decrease gradually with increasing saturation time in water with gaseous/super-critical CO₂. Compared to samples without saturation, 30-day saturation causes reductions of 56.43% in UCS and 54.21% in Young's modulus for gaseous saturated samples, and 66.05% in UCS and 56.32% in Young's modulus for super-critical saturated samples, respectively. The brittleness index also decreases drastically from 84.3% for samples without saturation to 50.9% for samples saturated in water with gaseous CO₂, to 47.9% for samples saturated in water with super-critical carbon dioxide (SC-CO₂). SC-CO₂ causes a greater reduction of shale's mechanical properties. The crack propagation results obtained from the AE system show that longer saturation time produces higher peak cumulative AE energy. SEM images show that many pores occur when shale samples are saturated in water with gaseous/super-critical CO₂. The EDS results show that CO₂-water-rock interactions increase the percentages of C and Fe and decrease the percentages of Al and K on the surface of saturated samples when compared to samples without saturation.

Sensitivity-enhanced detection of non-labile proton and carbon NMR spectra on water resonances.

PubMed

Novakovic, Mihajlo; Martinho, Ricardo P; Olsen, Gregory L; Lustig, Michael S; Frydman, Lucio

2017-12-20

Chemical exchange saturation transfer (CEST) experiments enhance the NMR signals of labile protons by continuously transferring these protons' saturation to an abundant solvent pool like water. The present study expands these principles by fusing into these experiments homonuclear isotropic mixing sequences, enabling the water-enhanced detection of non-exchangeable species. Further opportunities are opened by the addition of coupling-mediated heteronuclear polarization transfers, which then impose on the water resonance a saturation stemming from non-labile heteronuclear species like 13 C. To multiplex the ensuing experiments, these relayed approaches are combined with time-domain schemes involving multiple Ramsey-labeling experiments imparting the frequencies of the non-labile sites on the water resonance, via chemical exchange. 13 C and 1 H NMR spectra were detected in this fashion with about two-fold SNR amplification vis-à-vis conventionally detected spectroscopies. When combined with non-uniform sampling principles, this methodology thus becomes a sensitive alternative to detect non-exchangeable species in biomolecules. Still, multiple parameters including the scalar couplings and solvent exchange rates, will affect the efficiency and consequently the practicality of the overall experiment.

Optimization of magnetization transfer measurements: statistical analysis by stochastic simulation. Application to creatine kinase kinetics.

PubMed

Rydzy, M; Deslauriers, R; Smith, I C; Saunders, J K

1990-08-01

A systematic study was performed to optimize the accuracy of kinetic parameters derived from magnetization transfer measurements. Three techniques were investigated: time-dependent saturation transfer (TDST), saturation recovery (SRS), and inversion recovery (IRS). In the last two methods, one of the resonances undergoing exchange is saturated throughout the experiment. The three techniques were compared with respect to the accuracy of the kinetic parameters derived from experiments performed in a given, fixed, amount of time. Stochastic simulation of magnetization transfer experiments was performed to optimize experimental design. General formulas for the relative accuracies of the unidirectional rate constant (k) were derived for each of the three experimental methods. It was calculated that for k values between 0.1 and 1.0 s-1, T1 values between 1 and 10 s, and relaxation delays appropriate for the creatine kinase reaction, the SRS method yields more accurate values of k than does the IRS method. The TDST method is more accurate than the SRS method for reactions where T1 is long and k is large, within the range of k and T1 values examined. Experimental verification of the method was carried out on a solution in which the forward (PCr----ATP) rate constant (kf) of the creatine kinase reaction was measured.

Imaging of endogenous exchangeable proton signals in the human brain using frequency labeled exchange transfer imaging.

PubMed

Yadav, Nirbhay N; Jones, Craig K; Hua, Jun; Xu, Jiadi; van Zijl, Peter C M

2013-04-01

To image endogenous exchangeable proton signals in the human brain using a recently reported method called frequency labeled exchange transfer (FLEX) MRI. As opposed to labeling exchangeable protons using saturation (i.e., chemical exchange saturation transfer, or CEST), FLEX labels exchangeable protons with their chemical shift evolution. The use of short high-power frequency pulses allows more efficient labeling of rapidly exchanging protons, while time domain acquisition allows removal of contamination from semi-solid magnetization transfer effects. FLEX-based exchangeable proton signals were detected in human brain over the 1-5 ppm frequency range from water. Conventional magnetization transfer contrast and the bulk water signal did not interfere in the FLEX spectrum. The information content of these signals differed from in vivo CEST data in that the average exchange rate of these signals was 350-400 s(-1) , much faster than the amide signal usually detected using direct saturation (∼30 s(-1) ). Similarly, fast exchanging protons could be detected in egg white in the same frequency range where amide and amine protons of mobile proteins and peptides are known to resonate. FLEX MRI in the human brain preferentially detects more rapidly exchanging amide/amine protons compared to traditional CEST experiments, thereby changing the information content of the exchangeable proton spectrum. This has the potential to open up different types of endogenous applications as well as more easy detection of rapidly exchanging protons in diaCEST agents or fast exchanging units such as water molecules in paracest agents without interference of conventional magnetization transfer contrast. Copyright © 2013 Wiley Periodicals, Inc.

UCEPR: Ultrafast localized CEST-spectroscopy with PRESS in phantoms and in vivo.

PubMed

Liu, Zheng; Dimitrov, Ivan E; Lenkinski, Robert E; Hajibeigi, Asghar; Vinogradov, Elena

2016-05-01

Chemical exchange saturation transfer (CEST) is a contrast mechanism enhancing low-concentration molecules through saturation transfer from their exchangeable protons to bulk water. Often many scans are acquired to form a Z-spectrum, making the CEST method time-consuming. Here, an ultrafast localized CEST-spectroscopy with PRESS (UCEPR) is proposed to obtain the entire Z-spectrum of a voxel using only two scans, significantly accelerating CEST. The approach combines ultrafast nonlocalized CEST spectroscopy with localization using PRESS. A field gradient is applied concurrently with the saturation pulse producing simultaneous saturation of all Z-spectrum frequencies that are also spatially encoded. A readout gradient during data acquisition resolves the spatial dependence of the CEST responses into frequency. UCEPR was tested on a 3T scanner both in phantoms and in vivo. In phantoms, a fast Z-spectroscopy acquisition of multiple pH-variant iopamidol samples was achieved with four- to seven-fold acceleration as compared to the conventional CEST methods. In vivo, amide proton transfer (APT) in white matter of healthy human brain was measured rapidly in 48 s and with high frequency resolution (≤ 0.2 ppm). Compared with conventional CEST methods, UCEPR has the advantage of rapidly acquiring high-resolution Z-spectra. Potential in vivo applications include ultrafast localized Z-spectroscopy, quantitative, or dynamic CEST studies. © 2015 Wiley Periodicals, Inc.

Spin-locking versus chemical exchange saturation transfer MRI for investigating chemical exchange process between water and labile metabolite protons.

PubMed

Jin, Tao; Autio, Joonas; Obata, Takayuki; Kim, Seong-Gi

2011-05-01

Chemical exchange saturation transfer (CEST) and spin-locking (SL) experiments were both able to probe the exchange process between protons of nonequivalent chemical environments. To compare the characteristics of the CEST and SL approaches in the study of chemical exchange effects, we performed CEST and SL experiments at varied pH and concentrated metabolite phantoms with exchangeable amide, amine, and hydroxyl protons at 9.4 T. Our results show that: (i) on-resonance SL is most sensitive to chemical exchanges in the intermediate-exchange regime and is able to detect hydroxyl and amine protons on a millimolar concentration scale. Off-resonance SL and CEST approaches are sensitive to slow-exchanging protons when an optimal SL or saturation pulse power matches the exchanging rate, respectively. (ii) Offset frequency-dependent SL and CEST spectra are very similar and can be explained well with an SL model recently developed by Trott and Palmer (J Magn Reson 2002;154:157-160). (iii) The exchange rate and population of metabolite protons can be determined from offset-dependent SL or CEST spectra or from on-resonance SL relaxation dispersion measurements. (iv) The asymmetry of the magnetization transfer ratio (MTR(asym)) is highly dependent on the choice of saturation pulse power. In the intermediate-exchange regime, MTR(asym) becomes complicated and should be interpreted with care. Copyright © 2010 Wiley-Liss, Inc.

Scattering of dark particles with light mediators

NASA Astrophysics Data System (ADS)

Soper, Davison E.; Spannowsky, Michael; Wallace, Chris J.; Tait, Tim M. P.

2014-12-01

We present a treatment of the high energy scattering of dark Dirac fermions from nuclei, mediated by the exchange of a light vector boson. The dark fermions are produced by proton-nucleus interactions in a fixed target and, after traversing shielding that screens out strongly interacting products, appear similarly to neutrino neutral current scattering in a detector. Using the Fermilab experiment E613 as an example, we place limits on a secluded dark matter scenario. Visible scattering in the detector includes both the familiar regime of large momentum transfer to the nucleus (Q2) described by deeply inelastic scattering, as well as small Q2 kinematics described by the exchanged vector mediator fluctuating into a quark-antiquark pair whose interaction with the nucleus is described by a saturation model. We find that the improved description of the low Q2 scattering leads to important corrections, resulting in more robust constraints in a regime where a description entirely in terms of deeply inelastic scattering cannot be trusted.

Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

PubMed

Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

2016-12-12

For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metacontrast masking and attention do not interact.

PubMed

Agaoglu, Sevda; Breitmeyer, Bruno; Ogmen, Haluk

2016-07-01

Visual masking and attention have been known to control the transfer of information from sensory memory to visual short-term memory. A natural question is whether these processes operate independently or interact. Recent evidence suggests that studies that reported interactions between masking and attention suffered from ceiling and/or floor effects. The objective of the present study was to investigate whether metacontrast masking and attention interact by using an experimental design in which saturation effects are avoided. We asked observers to report the orientation of a target bar randomly selected from a display containing either two or six bars. The mask was a ring that surrounded the target bar. Attentional load was controlled by set-size and masking strength by the stimulus onset asynchrony between the target bar and the mask ring. We investigated interactions between masking and attention by analyzing two different aspects of performance: (i) the mean absolute response errors and (ii) the distribution of signed response errors. Our results show that attention affects observers' performance without interacting with masking. Statistical modeling of response errors suggests that attention and metacontrast masking exert their effects by independently modulating the probability of "guessing" behavior. Implications of our findings for models of attention are discussed.

Insights into the RNA quadruplex binding specificity of DDX21.

PubMed

McRae, Ewan K S; Davidson, David E; Dupas, Steven J; McKenna, Sean A

2018-06-12

Guanine quadruplexes can form in both DNA and RNA and influence many biological processes through various protein interactions. The DEAD-box RNA helicase protein DDX21 has been shown to bind and remodel RNA quadruplexes but little is known about its specificity for different quadruplex species. Previous reports have suggested DDX21 may interact with telomeric repeat containing RNA quadruplex (TERRA), an integral component of the telomere that contributes to telomeric heterochromatin formation and telomere length regulation. Here we report that the C-terminus of DDX21 specifically binds to TERRA. We use, for the first time, 2D saturation transfer difference NMR to map the protein binding site on a ribonucleic acid species and show that the quadruplex binding domain of DDX21 interacts primarily with the phosphoribose backbone of quadruplexes. Furthermore, by mutating the 2'OH of loop nucleotides we can drastically reduce DDX21's affinity for quadruplex, indicating that the recognition of quadruplex and specificity for TERRA is mediated by interactions with the 2'OH of loop nucleotides. Copyright © 2018. Published by Elsevier B.V.

Demonstration of a Specific Escherichia coli SecY–Signal Peptide Interaction†

PubMed Central

Wang, Ligong; Miller, Alexander; Rusch, Sharyn L.; Kendall, Debra A.

2011-01-01

Protein translocation in Escherichia coli is initiated by the interaction of a preprotein with the membrane translocase composed of a motor protein, SecA ATPase, and a membrane-embedded channel, the SecYEG complex. The extent to which the signal peptide region of the preprotein plays a role in SecYEG interactions is unclear, in part because studies in this area typically employ the entire preprotein. Using a synthetic signal peptide harboring a photoaffinity label in its hydrophobic core, we examined this interaction with SecYEG in a detergent micellar environment. The signal peptide was found to specifically bind SecY in a saturable manner and at levels comparable to those that stimulate SecA ATPase activity. Chemical and proteolytic cleavage of cross-linked SecY and analysis of the signal peptide adducts indicate that the binding was primarily to regions of the protein containing transmembrane domains seven and two. The signal peptide–SecY interaction was affected by the presence of SecA and nucleotides in a manner consistent with the transfer of signal peptide to SecY upon nucleotide hydrolysis at SecA. PMID:15476412

Study of human salivary proline-rich proteins interaction with food tannins.

PubMed

Soares, Susana; García-Estévez, Ignacio; Ferrer-Galego, Raúl; Brás, Natércia F; Brandão, Elsa; Silva, Mafalda; Teixeira, Natércia; Fonseca, Fátima; Sousa, Sérgio F; Ferreira-da-Silva, Frederico; Mateus, Nuno; de Freitas, Victor

2018-03-15

In this work, saturation transfer difference-NMR, isothermal microcalorimetry and molecular dynamics simulations have been used to study the individual interactions between basic, glycosylated and acidic proline-rich proteins (bPRPS, gPRPs, aPRPs) and P-B peptide with some representative food tannins [procyanidin B2, procyanidin B2 3'-O-gallate (B2g) and procyanidin trimer (catechin-4-8-catechin-4-8-catechin)]. Results showed that P-B peptide was in general the salivary protein (SP) with higher affinity whereas aPRPs showed lower affinity to the studied procyanidins. Moreover, B2g was the procyanidin with higher affinity for all SP. Hydrophobic and hydrogen bonds were present in all interactions but the major driving force depended on the procyanidin-SP pair. Furthermore, proline clusters or residues in their vicinity were identified as the probable sites of proteins for interaction with procyanidins. For bPRP and aPRP a significant change to less extended conformations was observed, while P-B peptide did not display any structural rearrangement upon procyanidins binding. Copyright © 2017. Published by Elsevier Ltd.

Make dark matter charged again

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

Agrawal, Prateek; Cyr-Racine, Francis-Yan; Randall, Lisa

2017-05-01

We revisit constraints on dark matter that is charged under a U(1) gauge group in the dark sector, decoupled from Standard Model forces. We find that the strongest constraints in the literature are subject to a number of mitigating factors. For instance, the naive dark matter thermalization timescale in halos is corrected by saturation effects that slow down isotropization for modest ellipticities. The weakened bounds uncover interesting parameter space, making models with weak-scale charged dark matter viable, even with electromagnetic strength interaction. This also leads to the intriguing possibility that dark matter self-interactions within small dwarf galaxies are extremely large,more » a relatively unexplored regime in current simulations. Such strong interactions suppress heat transfer over scales larger than the dark matter mean free path, inducing a dynamical cutoff length scale above which the system appears to have only feeble interactions. These effects must be taken into account to assess the viability of darkly-charged dark matter. Future analyses and measurements should probe a promising region of parameter space for this model.« less

Investigation the evaporation-condensation problem by means of the joint numerical solution of the Boltzmann kinetic equation and interface modelling

NASA Astrophysics Data System (ADS)

Shiskova, I. N.; Kryukov, A. P.; Levashov, V. Yu

2017-11-01

The paper is devoted to research of the heat and mass transfer processes in liquid and vapor phase on the basis of the uniform approach assuming the through description of liquid, interface and vapor. Multiparticles interactions in liquid will be taken into account. The problem is studied when temperature in the depth of liquid differs from temperature in the vapor region. In this case there are both mass flux and heat flux. The study of influence of the correlations resulting from interactions of molecules set in thin near-surface liquid layers and an interface on intensity of evaporation is made. As a result of calculations the equilibrium line of the liquid-vapor saturation is obtained, which corresponds good enough with experimental data. Distributions of density, temperature, pressure, heat and mass fluxes, both in a liquid and in vapor are also presented.

An Assessment of Helium Evolution from Helium-Saturated Propellant Depressurization in Space

NASA Technical Reports Server (NTRS)

Nguyen, Bich N.; Best, Frederick; Wong, Tony; Kurwitz, Cable; McConnaughey, H. (Technical Monitor)

2001-01-01

Helium evolution from the transfer of helium-saturated propellant in space is quantified to assess its impacts from creating two-phase gas/liquid flow from the supply tank, gas injection into the receiving tank, and liquid discharge from the receiving tank. Propellant transfer takes place between two similar tanks whose maximum storage capacity is approximately 2.55 cubic meters each. The maximum on-orbit propellants transfer capability is 9000 lbm (fuel and oxidizer). The transfer line is approximately 1.27 cm in diameter and 6096 cm in length and comprised of the fluid interconnect system (FICS), the orbiter propellant transfer system (OPTS), and the International Space Station (ISS) propulsion module (ISSPM). The propellant transfer rate begins at approximately 11 liter per minute (lpm) and subsequently drops to approximately 0.5 lpm. The tank nominal operating pressure is approximately 1827 kPa (absolute). The line pressure drops for Monomethy1hydrazine (MMH) and Nitrogen tetroxide (NTO) at 11.3 lpm are approximately 202 kPa and 302 kPa, respectively. The pressure-drop results are based on a single-phase flow. The receiving tank is required to vent from approximately 1827 kPa to a lower pressure to affect propellant transfer. These pressure-drop scenarios cause the helium-saturated propellants to release excess helium. For tank ullage venting, the maximum volumes of helium evolved at tank pressure are approximately 0.5 ft3 for MMH and 2 ft3 for NTO. In microgravity environment, due to lack of body force, the helium evolution from a liquid body acts to propel it, which influences its fluid dynamics. For propellant transfer, the volume fractions of helium evolved at line pressure are 0.1% by volume for MMH and 0.6 % by volume for NTO at 11.3 lpm. The void fraction of helium evolved varies as an approximate second order power function of flow rate.

Modelling of deformation of underground tunnel lining, interacting with water-saturated soil

NASA Astrophysics Data System (ADS)

Berezhnoi, D. V.; Balafendieva, I. S.; Sachenkov, A. A.; Sekaeva, L. R.

2016-11-01

Built finite element method of calculating the deformation of underground tunnel lining, interacting with dry and water-saturated soils. To simulate the interaction between the lining and soils environments, including physical and non-linear, a special "contact" finite element, which allows to consider all cases of interaction between the contacting surfaces. It solved a number of problems of deformation with the ground subway tunnel lining rings.

Association between the APOA2 promoter polymorphism and body weight in Mediterranean and Asian populations: replication of a gene-saturated fat interaction.

PubMed

Corella, D; Tai, E S; Sorlí, J V; Chew, S K; Coltell, O; Sotos-Prieto, M; García-Rios, A; Estruch, R; Ordovas, J M

2011-05-01

The APOA2 gene has been associated with obesity and insulin resistance (IR) in animal and human studies with controversial results. We have reported an APOA2-saturated fat interaction determining body mass index (BMI) and obesity in American populations. This work aims to extend our findings to European and Asian populations. Cross-sectional study in 4602 subjects from two independent populations: a high-cardiovascular risk Mediterranean population (n = 907 men and women; aged 67 ± 6 years) and a multiethnic Asian population (n = 2506 Chinese, n = 605 Malays and n = 494 Asian Indians; aged 39 ± 12 years) participating in a Singapore National Health Survey. Anthropometric, clinical, biochemical, lifestyle and dietary variables were determined. Homeostasis model assessment of insulin resistance was used in Asians. We analyzed gene-diet interactions between the APOA2 -265T>C polymorphism and saturated fat intake (C polymorphism on body-weight-related measures was modulated by saturated fat in Mediterranean and Asian populations.

Association between the APOA2 promoter polymorphism and body-weight in Mediterranean and Asian populations. Replication of a gene-saturated fat interaction

PubMed Central

Corella, Dolores; Tai, E Shyong; Sorlí, Jose V; Kai Chew, Suok; Coltell, Oscar; Sotos-Prieto, Mercedes; García-Rios, Antonio; Estruch, Ramón; Ordovas, Jose M.

2010-01-01

Objective The APOA2 gene has been associated with obesity and insulin resistance (IR) in animal and human studies with controversial results. We have reported an APOA2-saturated fat interaction determining body mass index (BMI) and obesity in American populations. This work aims to extend our findings to European and Asian populations. Methods Cross-sectional study in 4602 subjects from 2 independent populations: A high cardiovascular risk Mediterranean population (n=907 men and women; aged 67+/−6 years) and a multiethnic Asian population (n=2506 Chinese, n=605 Malays and n=494 Asian Indians; aged 39+/−12 years), participating in a Singapore National Health Survey. Anthropometric, clinical, biochemical, lifestyle and dietary variables were determined. Homeostasis model assessment of IR (HOMA-IR) was used in Asians. We analyzed gene-diet interactions between the APOA2 −265T>C polymorphism and saturated fat intake (=22 g/d) on anthropometric measures and IR. Results Frequency of CC subjects differed among populations (1%–15%). We confirmed a recessive effect of the APOA2 polymorphism, and replicated the APOA2–saturated fat interaction on body-weight. In Mediterranean individuals, the CC genotype was associated with a 6.8% greater BMI in those consuming a high (P=0.018), but not a low (P=0.316) saturated fat diet. Likewise, the CC genotype was significantly associated with higher obesity prevalence in Chinese and Asian Indians only with a high-saturated fat intake (P=0.036). We also found a significant APOA2-saturated fat interaction in determining IR in Chinese and Asian Indians (P=0.026). Conclusion The influence of the APOA2 −265T>C polymorphism on body-weight-related measures was modulated by saturated fat in Mediterranean and Asian populations. PMID:20975728

Determinants of Ligand Subtype-Selectivity at α1A-Adrenoceptor Revealed Using Saturation Transfer Difference (STD) NMR.

PubMed

Yong, Kelvin J; Vaid, Tasneem M; Shilling, Patrick J; Wu, Feng-Jie; Williams, Lisa M; Deluigi, Mattia; Plückthun, Andreas; Bathgate, Ross A D; Gooley, Paul R; Scott, Daniel J

2018-04-20

α 1A - and α 1B -adrenoceptors (α 1A -AR and α 1B -AR) are closely related G protein-coupled receptors (GPCRs) that modulate the cardiovascular and nervous systems in response to binding epinephrine and norepinephrine. The GPCR gene superfamily is made up of numerous subfamilies that, like α 1A -AR and α 1B -AR, are activated by the same endogenous agonists but may modulate different physiological processes. A major challenge in GPCR research and drug discovery is determining how compounds interact with receptors at the molecular level, especially to assist in the optimization of drug leads. Nuclear magnetic resonance spectroscopy (NMR) can provide great insight into ligand-binding epitopes, modes, and kinetics. Ideally, ligand-based NMR methods require purified, well-behaved protein samples. The instability of GPCRs upon purification in detergents, however, makes the application of NMR to study ligand binding challenging. Here, stabilized α 1A -AR and α 1B -AR variants were engineered using Cellular High-throughput Encapsulation, Solubilization, and Screening (CHESS), allowing the analysis of ligand binding with Saturation Transfer Difference NMR (STD NMR). STD NMR was used to map the binding epitopes of epinephrine and A-61603 to both receptors, revealing the molecular determinants for the selectivity of A-61603 for α 1A -AR over α 1B -AR. The use of stabilized GPCRs for ligand-observed NMR experiments will lead to a deeper understanding of binding processes and assist structure-based drug design.

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

Neale, Nathan R; Carroll, Gerard; Limpens, Rens

The optical properties of silicon nanocrystals (Si NCs) are a subject of intense study and continued debate. In particular, Si NC photoluminescence (PL) properties are known to depend strongly on the surface chemistry, resulting in electron-hole recombination pathways derived from the Si NC band-edge, surface-state defects, or combined NC-conjugated ligand hybrid states. In this Letter, we perform a comparison of three different saturated surface functional groups - alkyls, amides, and alkoxides - on nonthermal plasma-synthesized Si NCs. We find a systematic and size-dependent high-energy (blue) shift in the PL spectrum of Si NCs with amide and alkoxy functionalization relative tomore » alkyl. Time-resolved photoluminescence and transient absorption spectroscopies reveal no change in the excited-state dynamics between Si NCs functionalized with alkyl, amide, or alkoxide ligands, showing for the first time that saturated ligands - not only surface-derived charge-transfer states or hybridization between NC and low-lying ligand orbitals - are responsible for tuning the Si NC optical properties. To explain these PL shifts we propose that the atom bound to the Si NC surface strongly interacts with the Si NC electronic wave function and modulates the Si NC quantum confinement. These results reveal a potentially broadly applicable correlation between the optoelectronic properties of Si NCs and related quantum-confined structures based on the interaction between NC surfaces and the ligand binding group.« less

Iopamidol as a responsive MRI-chemical exchange saturation transfer contrast agent for pH mapping of kidneys: In vivo studies in mice at 7 T.

PubMed

Longo, Dario Livio; Dastrù, Walter; Digilio, Giuseppe; Keupp, Jochen; Langereis, Sander; Lanzardo, Stefania; Prestigio, Simone; Steinbach, Oliver; Terreno, Enzo; Uggeri, Fulvio; Aime, Silvio

2011-01-01

Iopamidol (Isovue®-Bracco Diagnostic Inc.) is a clinically approved X-Ray contrast agent used in the last 30 years for a wide variety of diagnostic applications with a very good clinical acceptance. Iopamidol contains two types of amide functionalities that can be exploited for the generation of chemical exchange saturation transfer effect. The exchange rate of the two amide proton pools is markedly pH-dependent. Thus, a ratiometric method for pH assessment has been set-up based on the comparison of the saturation transfer effects induced by selective irradiation of the two resonances. This ratiometric approach allows to rule out the concentration effect of the contrast agent and provides accurate pH measurements in the 5.5-7.4 range. Upon injection of Iopamidol into healthy mice, it has been possible to acquire pH maps of kidney regions. Furthermore, it has been also shown that the proposed method is able to report about pH-changes induced in control mice fed with acidified or basified water for a period of a week before image acquisition. © 2010 Wiley-Liss, Inc.

QUESP and QUEST revisited - fast and accurate quantitative CEST experiments.

PubMed

Zaiss, Moritz; Angelovski, Goran; Demetriou, Eleni; McMahon, Michael T; Golay, Xavier; Scheffler, Klaus

2018-03-01

Chemical exchange saturation transfer (CEST) NMR or MRI experiments allow detection of low concentrated molecules with enhanced sensitivity via their proton exchange with the abundant water pool. Be it endogenous metabolites or exogenous contrast agents, an exact quantification of the actual exchange rate is required to design optimal pulse sequences and/or specific sensitive agents. Refined analytical expressions allow deeper insight and improvement of accuracy for common quantification techniques. The accuracy of standard quantification methodologies, such as quantification of exchange rate using varying saturation power or varying saturation time, is improved especially for the case of nonequilibrium initial conditions and weak labeling conditions, meaning the saturation amplitude is smaller than the exchange rate (γB 1  < k). The improved analytical 'quantification of exchange rate using varying saturation power/time' (QUESP/QUEST) equations allow for more accurate exchange rate determination, and provide clear insights on the general principles to execute the experiments and to perform numerical evaluation. The proposed methodology was evaluated on the large-shift regime of paramagnetic chemical-exchange-saturation-transfer agents using simulated data and data of the paramagnetic Eu(III) complex of DOTA-tetraglycineamide. The refined formulas yield improved exchange rate estimation. General convergence intervals of the methods that would apply for smaller shift agents are also discussed. Magn Reson Med 79:1708-1721, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

Method for improving dissolution efficiency in gas-absorption and liquid extraction processes. [Patent application

DOEpatents

Kanak, B.E.; Stephenson, M.J.

1980-01-11

A method is described for improving dissolution efficiency in processes in which a feed fluid is introduced to a zone where it is contacted with a liquid solvent for preferentially removing a component of the feed and where part of the solvent so contacted undergoes transfer into the feed fluid to saturate the same. It has been found that such transfer significantly impairs dissolution efficiency. In accordance with the invention, an amount of the above-mentioned solvent is added to the feed fluid being introduced to the contact zone, the solvent being added in an amount sufficient to effect reduction or elimination of the above-mentioned transfer. Preferably, the solvent is added to the feed fluid in an amount saturating or supersaturating the feed fluid under the conditions prevailing in the contact zone.

Method for improving dissolution efficiency in gas-absorption and liquid extraction processes

DOEpatents

Kanak, Brant E.; Stephenson, Michael J.

1981-01-01

This invention is a method for improving dissolution efficiency in processes in which a feed fluid is introduced to a zone where it is contacted with a liquid solvent for preferentially removing a component of the feed and where part of the solvent so contacted undergoes transfer into the feed fluid to saturate the same. It has been found that such transfer significantly impairs dissolution efficiency. In accordance with the invention, an amount of the above-mentioned solvent is added to the feed fluid being introduced to the contact zone, the solvent being added in an amount sufficient to effect reduction or elimination of the above-mentioned transfer. Preferably, the solvent is added to the feed fluid in an amount saturating or supersaturating the feed fluid under the conditions prevailing in the contact zone.

Viral infection of the marine alga Emiliania huxleyi triggers lipidome remodeling and induces the production of highly saturated triacylglycerol.

PubMed

Malitsky, Sergey; Ziv, Carmit; Rosenwasser, Shilo; Zheng, Shuning; Schatz, Daniella; Porat, Ziv; Ben-Dor, Shifra; Aharoni, Asaph; Vardi, Assaf

2016-04-01

Viruses that infect marine photosynthetic microorganisms are major ecological and evolutionary drivers of microbial food webs, estimated to turn over more than a quarter of the total photosynthetically fixed carbon. Viral infection of the bloom-forming microalga Emiliania huxleyi induces the rapid remodeling of host primary metabolism, targeted towards fatty acid metabolism. We applied a liquid chromatography-mass spectrometry (LC-MS)-based lipidomics approach combined with imaging flow cytometry and gene expression profiling to explore the impact of viral-induced metabolic reprogramming on lipid composition. Lytic viral infection led to remodeling of the cellular lipidome, by predominantly inducing the biosynthesis of highly saturated triacylglycerols (TAGs), coupled with a significant accumulation of neutral lipids within lipid droplets. Furthermore, TAGs were found to be a major component (77%) of the lipidome of isolated virions. Interestingly, viral-induced TAGs were significantly more saturated than TAGs produced under nitrogen starvation. This study highlights TAGs as major products of the viral-induced metabolic reprogramming during the host-virus interaction and indicates a selective mode of membrane recruitment during viral assembly, possibly by budding of the virus from specialized subcellular compartments. These findings provide novel insights into the role of viruses infecting microalgae in regulating metabolism and energy transfer in the marine environment and suggest their possible biotechnological application in biofuel production. © 2016 The Authors. New Phytologist © 2016 New Phytologist Trust.

Saturation of Alfvén modes in tokamaks

DOE PAGES

White, Roscoe; Gorelenkov, Nikolai; Gorelenkova, Marina; ...

2016-09-20

Here, the growth of Alfvén modes driven unstable by a distribution of high energy particles up to saturation is investigated with a guiding center code, using numerical eigenfunctions produced by linear theory and a numerical high energy particle distribution, in order to make detailed comparison with experiment and with models for saturation amplitudes and the modification of beam profiles. Two innovations are introduced. First, a very noise free means of obtaining the mode-particle energy and momentum transfer is introduced, and secondly, a spline representation of the actual beam particle distribution is used.

Saturation of Alfvén modes in tokamaks

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

White, Roscoe; Gorelenkov, Nikolai; Gorelenkova, Marina

Here, the growth of Alfvén modes driven unstable by a distribution of high energy particles up to saturation is investigated with a guiding center code, using numerical eigenfunctions produced by linear theory and a numerical high energy particle distribution, in order to make detailed comparison with experiment and with models for saturation amplitudes and the modification of beam profiles. Two innovations are introduced. First, a very noise free means of obtaining the mode-particle energy and momentum transfer is introduced, and secondly, a spline representation of the actual beam particle distribution is used.

A new type of two-wave interaction in saturable dye

NASA Astrophysics Data System (ADS)

Hu, Q.; Lin, F.

1986-03-01

A new interaction of two noncollinear laser beams with the same frequency have been observed in a saturable dye solution of bis-(4-dimethyl aminodithio benzil) (DN) and pentamethine cyanine. It differs from the four-wave mixing effect and the transient self-diffraction and coherent coupling effects.

A new energy transfer model for turbulent free shear flow

NASA Technical Reports Server (NTRS)

Liou, William W.-W.

1992-01-01

A new model for the energy transfer mechanism in the large-scale turbulent kinetic energy equation is proposed. An estimate of the characteristic length scale of the energy containing large structures is obtained from the wavelength associated with the structures predicted by a weakly nonlinear analysis for turbulent free shear flows. With the inclusion of the proposed energy transfer model, the weakly nonlinear wave models for the turbulent large-scale structures are self-contained and are likely to be independent flow geometries. The model is tested against a plane mixing layer. Reasonably good agreement is achieved. Finally, it is shown by using the Liapunov function method, the balance between the production and the drainage of the kinetic energy of the turbulent large-scale structures is asymptotically stable as their amplitude saturates. The saturation of the wave amplitude provides an alternative indicator for flow self-similarity.

Evidence for a "metabolically inactive" inorganic phosphate pool in adenosine triphosphate synthase reaction using localized 31P saturation transfer magnetic resonance spectroscopy in the rat brain at 11.7 T.

PubMed

Tiret, Brice; Brouillet, Emmanuel; Valette, Julien

2016-09-01

With the increased spectral resolution made possible at high fields, a second, smaller inorganic phosphate resonance can be resolved on (31)P magnetic resonance spectra in the rat brain. Saturation transfer was used to estimate de novo adenosine triphosphate synthesis reaction rate. While the main inorganic phosphate pool is used by adenosine triphosphate synthase, the second pool is inactive for this reaction. Accounting for this new pool may not only help us understand (31)P magnetic resonance spectroscopy metabolic profiles better but also better quantify adenosine triphosphate synthesis. © The Author(s) 2016.

Coupling of damped and growing modes in unstable shear flow

DOE PAGES

Fraser, A. E.; Terry, P. W.; Zweibel, E. G.; ...

2017-06-14

Analysis of the saturation of the Kelvin-Helmholtz instability is undertaken to determine the extent to which the conjugate linearly stable mode plays a role. For a piecewise-continuous mean flow profile with constant shear in a fixed layer, it is shown that the stable mode is nonlinearly excited, providing an injection-scale sink of the fluctuation energy similar to what has been found for gyroradius-scale drift-wave turbulence. Quantitative evaluation of the contribution of the stable mode to the energy balance at the onset of saturation shows that nonlinear energy transfer to the stable mode is as significant as energy transfer to smallmore » scales in balancing energy injected into the spectrum by the instability. The effect of the stable mode on momentum transport is quantified by expressing the Reynolds stress in terms of stable and unstable mode amplitudes at saturation, from which it is found that the stable mode can produce a sizable reduction in the momentum flux.« less

Coupling of damped and growing modes in unstable shear flow

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

Fraser, A. E.; Terry, P. W.; Zweibel, E. G.

Analysis of the saturation of the Kelvin-Helmholtz instability is undertaken to determine the extent to which the conjugate linearly stable mode plays a role. For a piecewise-continuous mean flow profile with constant shear in a fixed layer, it is shown that the stable mode is nonlinearly excited, providing an injection-scale sink of the fluctuation energy similar to what has been found for gyroradius-scale drift-wave turbulence. Quantitative evaluation of the contribution of the stable mode to the energy balance at the onset of saturation shows that nonlinear energy transfer to the stable mode is as significant as energy transfer to smallmore » scales in balancing energy injected into the spectrum by the instability. The effect of the stable mode on momentum transport is quantified by expressing the Reynolds stress in terms of stable and unstable mode amplitudes at saturation, from which it is found that the stable mode can produce a sizable reduction in the momentum flux.« less

APOA2, dietary fat, and body mass index: replication of a gene-diet interaction in 3 independent populations.

PubMed

Corella, Dolores; Peloso, Gina; Arnett, Donna K; Demissie, Serkalem; Cupples, L Adrienne; Tucker, Katherine; Lai, Chao-Qiang; Parnell, Laurence D; Coltell, Oscar; Lee, Yu-Chi; Ordovas, Jose M

2009-11-09

Nutrigenetics studies the role of genetic variation on interactions between diet and health, aiming to provide more personalized dietary advice. However, replication has been low. Our aim was to study interaction among a functional APOA2 polymorphism, food intake, and body mass index (BMI) in independent populations to replicate findings and to increase their evidence level. Cross-sectional, follow-up (20 years), and case-control analyses were undertaken in 3 independent populations. We analyzed gene-diet interactions between the APOA2 -265T>C polymorphism and saturated fat intake on BMI and obesity in 3462 individuals from 3 populations in the United States: the Framingham Offspring Study (1454 whites), the Genetics of Lipid Lowering Drugs and Diet Network Study (1078 whites), and Boston-Puerto Rican Centers on Population Health and Health Disparities Study (930 Hispanics of Caribbean origin). Prevalence of the CC genotype in study participants ranged from 10.5% to 16.2%. We identified statistically significant interactions between the APOA2 -265T>C and saturated fat regarding BMI in all 3 populations. Thus, the magnitude of the difference in BMI between the individuals with the CC and TT+TC genotypes differed by saturated fat. A mean increase in BMI of 6.2% (range, 4.3%-7.9%; P = .01) was observed between genotypes with high- (> or =22 g/d) but not with low- saturated fat intake in all studies. Likewise, the CC genotype was significantly associated with higher obesity prevalence in all populations only in the high-saturated fat stratum. Meta-analysis estimations of obesity for individuals with the CC genotype compared with the TT+TC genotype were an odds ratio of 1.84 (95% confidence interval, 1.38-2.47; P < .001) in the high-saturated fat stratum, but no association was detected in the low-saturated fat stratum (odds ratio, 0.81; 95% confidence interval, 0.59-1.11; P = .18). For the first time to our knowledge, a gene-diet interaction influencing BMI and obesity has been strongly and consistently replicated in 3 independent populations.

Headspace versus direct immersion solid phase microextraction in complex matrixes: investigation of analyte behavior in multicomponent mixtures.

PubMed

Gionfriddo, Emanuela; Souza-Silva, Érica A; Pawliszyn, Janusz

2015-08-18

This work aims to investigate the behavior of analytes in complex mixtures and matrixes with the use of solid-phase microextraction (SPME). Various factors that influence analyte uptake such as coating chemistry, extraction mode, the physicochemical properties of analytes, and matrix complexity were considered. At first, an aqueous system containing analytes bearing different hydrophobicities, molecular weights, and chemical functionalities was investigated by using commercially available liquid and solid porous coatings. The differences in the mass transfer mechanisms resulted in a more pronounced occurrence of coating saturation in headspace mode. Contrariwise, direct immersion extraction minimizes the occurrence of artifacts related to coating saturation and provides enhanced extraction of polar compounds. In addition, matrix-compatible PDMS-modified solid coatings, characterized by a new morphology that avoids coating fouling, were compared to their nonmodified analogues. The obtained results indicate that PDMS-modified coatings reduce artifacts associated with coating saturation, even in headspace mode. This factor, coupled to their matrix compatibility, make the use of direct SPME very practical as a quantification approach and the best choice for metabolomics studies where wide coverage is intended. To further understand the influence on analyte uptake on a system where additional interactions occur due to matrix components, ex vivo and in vivo sampling conditions were simulated using a starch matrix model, with the aim of mimicking plant-derived materials. Our results corroborate the fact that matrix handling can affect analyte/matrix equilibria, with consequent release of high concentrations of previously bound hydrophobic compounds, potentially leading to coating saturation. Direct immersion SPME limited the occurrence of the artifacts, which confirms the suitability of SPME for in vivo applications. These findings shed light into the implementation of in vivo SPME strategies in quantitative metabolomics studies of complex plant-based systems.

Gauging a Hydrocarbon Ruler by an Intrinsic Exciton Probe†

PubMed Central

Khan, M. Adil; Neale, Chris; Michaux, Catherine; Pomés, Régis; Privé, Gilbert G.; Woody, Robert W.; Bishop, Russell E.

2016-01-01

The structural basis of lipid acyl-chain selection by membrane-intrinsic enzymes is poorly understood because most integral membrane enzymes of lipid metabolism have proven refractory to structure determination; however, robust enzymes from the outer membranes of Gram-negative bacteria are now providing a first glimpse at the underlying mechanisms. The methylene unit resolution of the phospholipid: lipid A palmitoyltransferase PagP is determined by the hydrocarbon ruler, a 16-carbon saturated acyl-chain-binding pocket buried within the transmembrane β-barrel structure. Substitution of Gly88 lining the floor of the hydrocarbon ruler with Ala or Met makes the enzyme select specifically 15- or 12-carbon saturated acyl chains, respectively, indicating that hydrocarbon ruler depth determines acyl-chain selection. However, the Gly88Cys PagP resolution does not diminish linearly because it selects both 14- and 15-carbon saturated acyl chains. We discovered that an exciton, emanating from a buried Tyr26–Trp66 phenol–indole interaction, is extinguished by a local structural perturbation arising from the proximal Gly88Cys PagP sulfhydryl group. Site-specific S-methylation of the single Cys afforded Gly88Cys-S-methyl PagP, which reasserted both the exciton and methylene unit resolution by specifically selecting 13-carbon saturated acyl chains for transfer to lipid A. Unlike the other Gly88 substitutions, the Cys sulfhydryl group recedes from the hydrocarbon ruler floor and locally perturbs the subjacent Tyr26 and Trp66 aromatic rings. The resulting hydrocarbon ruler expansion thus occurs at the exciton’s expense and accommodates an extra methylene unit in the selected acyl chain. The hydrocarbon ruler–exciton juxtaposition endows PagP with a molecular gauge for probing the structural basis of lipid acyl-chain selection in a membrane-intrinsic environment. PMID:17375935

Saturated fluorescence measurements of the hydroxyl radical in laminar high-pressure flames

NASA Technical Reports Server (NTRS)

Carter, Campbell D.; King, Galen B.; Laurendeau, Normand M.

1990-01-01

The efficacy of laser saturated fluorescence (LSF) for OH concentration measurements in high pressure flames was studied theoretically and experimentally. Using a numerical model describing the interaction of hydroxyl with nonuniform laser excitation, the effect of pressure on the validity of the balanced cross-rate model was studied along with the sensitivity of the depopulation of the laser-coupled levels to the ratio of rate coefficients describing: (1) electronic quenching to (sup 2) Sigma (+) (v double prime greater than 0), and (2) vibrational relaxation from v double prime greater than 0 to v double prime = 0. At sufficiently high pressures and near-saturated conditions, the total population of the laser-coupled levels reaches an asymptotic value, which is insensitive to the degree of saturation. When the ratio of electronic quenching to vibrational relaxation is small and the rate of coefficients for rotational transfer in the ground and excited electronic states are nearly the same, the balanced cross-rate model remains a good approximation for all pressures. When the above ratio is large, depopulation of the laser-coupled levels becomes significant at high pressures, and thus the balanced cross-rate model no longer holds. Under these conditions, however, knowledge of the depletion of the laser-coupled levels can be used to correct the model. A combustion facility for operation up to 20 atm was developed to allow LSF measurements of OH in high pressure flames. Using this facility, partial saturation in laminar high pressure (less than or equal to 12.3 atm) C2H6/O2/N2 flames was achieved. To evaluate the limits of the balanced cross-rate model, absorption and calibrated LSF measurements at 3.1 and 6.1 atm were compared. The fluorescence voltages were calibrated with absorption measurements in an atmospheric flame and corrected for their finite sensitivity to quenching with: (1) estimated quenching rate coefficients, and (2) an in situ measurement from a technique employing two fluorescence detection geometries.

An idealised study for the long term evolution of crescentic bars

NASA Astrophysics Data System (ADS)

Chen, W. L.; Dodd, N.; Tiessen, M. C. H.; Calvete, D.

2018-01-01

An idealised study that identifies the mechanisms in the long term evolution of crescentic bar systems in nature is presented. Growth to finite amplitude (i.e., equilibration, sometimes referred to as saturation) and higher harmonic interaction are hypothesised to be the leading nonlinear effects in long-term evolution of these systems. These nonlinear effects are added to a linear stability model and used to predict crescentic bar development along a beach in Duck, North Carolina (USA) over a 2-month period. The equilibration prolongs the development of bed patterns, thus allowing the long term evolution. Higher harmonic interaction enables the amplitude to be transferred from longer to shorter lengthscales, which leads to the dominance of shorter lengthscales in latter post-storm stages, as observed at Duck. The comparison with observations indicates the importance of higher harmonic interaction in the development of nearshore crescentic bar systems in nature. Additionally, it is concluded that these nonlinear effects should be included in models simulating the development of different bed patterns, and that this points a way forward for long-term morphodynamical modelling in general.

Effects of shock strength on shock turbulence interaction

NASA Technical Reports Server (NTRS)

Lee, Sangsan

1993-01-01

Direct numerical simulation (DNS) and linear analysis (LIA) of isotropic turbulence interacting with a shock wave are performed for several upstream shock normal Mach numbers (M(sub 1)). Turbulence kinetic energy (TKE) is amplified across the shock wave, but this amplification tends to saturate beyond M(sub 1) = 3.0. TKE amplification and Reynolds stress anisotropy obtained in DNS are consistent with LIA predictions. Rapid evolution of TKE immediate downstream of the shock wave persists for all shock strengths and is attributed to the transfer between kinetic and potential modes of turbulence energy through acoustic fluctuations. Changes in energy spectra and various length scales across the shock wave are predicted by LIA, which is consistent with DNS results. Most turbulence length scales decrease across the shock. Dissipation length scale (rho-bar q(exp 3) / epsilon), however, increases slightly for shock waves with M(sub 1) less than 1.65. Fluctuations in thermodynamic variables behind the shock wave stay nearly isentropic for M(sub 1) less than 1.2 and deviate significantly from isentropy for the stronger shock waves due to large entropy fluctuation generated through the interaction.

Time-dependent 31P saturation transfer in the phosphoglucomutase reaction. Characterization of the spin system for the Cd(II) enzyme and evaluation of rate constants for the transfer process.

PubMed

Post, C B; Ray, W J; Gorenstein, D G

1989-01-24

Time-dependent 31P saturation-transfer studies were conducted with the Cd2+-activated form of muscle phosphoglucomutase to probe the origin of the 100-fold difference between its catalytic efficiency (in terms of kcat) and that of the more efficient Mg2+-activated enzyme. The present paper describes the equilibrium mixture of phosphoglucomutase and its substrate/product pair when the concentration of the Cd2+ enzyme approaches that of the substrate and how the nine-spin 31P NMR system provided by this mixture was treated. It shows that the presence of abortive complexes is not a significant factor in the reduced activity of the Cd2+ enzyme since the complex of the dephosphoenzyme and glucose 1,6-bisphosphate, which accounts for a large majority of the enzyme present at equilibrium, is catalytically competent. It also shows that rate constants for saturation transfer obtained at three different ratios of enzyme to free substrate are mutually compatible. These constants, which were measured at chemical equilibrium, can be used to provide a quantitative kinetic rationale for the reduced steady-state activity elicited by Cd2+ relative to Mg2+ [cf. Ray, W.J., Post, C.B., & Puvathingal, J.M. (1989) Biochemistry (following paper in this issue)]. They also provide minimal estimates of 350 and 150 s-1 for the rate constants describing (PO3-) transfer from the Cd2+ phosphoenzyme to the 6-position of bound glucose 1-phosphate and to the 1-position of bound glucose 6-phosphate, respectively. These minimal estimates are compared with analogous estimates for the Mg2+ and Li+ forms of the enzyme in the accompanying paper.

First evidences of interaction between pyranoanthocyanins and salivary proline-rich proteins.

PubMed

García-Estévez, Ignacio; Cruz, Luís; Oliveira, Joana; Mateus, Nuno; de Freitas, Victor; Soares, Susana

2017-08-01

The contribution of other classes of polyphenol compounds besides tannins to the overall perception of astringency is still poorly understood. So, this work aimed to study the interaction between a family of salivary proline-rich proteins (aPRPs) and representative pyranoanthocyanins in red wines [pyranomalvidin-3-glucoside (vitisin B), pyranomalvidin-3-glucoside-catechol, and pyranomalvidin-3-glucoside-epicatechin] using saturation transfer difference-NMR and MALDI-TOF. For vitisin B K D was of 1.74mM; for pyranomalvidin-3-glucoside-catechol was 1.17mM and for pyranomalvidin-3-glucoside-epicatechin it was 0.87mM. The presence of the flavanol structural unit in the pyranoanthocyanins led to an increase in their interaction with aPRPs. Further, it is also interesting that the values obtained were in the range of K D obtained previously reported for the interaction between the human saliva proline-rich peptides (IB7 14 and IB9 37 ) and procyanidins. Overall, the results obtained suggest that, along with tannins, other polyphenols present in red wine, namely pyranoanthocyanins, could actively contribute to red wine global astringency. Copyright © 2017 Elsevier Ltd. All rights reserved.

An experimental study of laminar film condensation with Stefan number greater than unity

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

Mahajan, R.L.; Dickinson, D.A.; Chu, T.Y.

1991-05-01

Experimental laminar condensation heat transfer data are reported for fluids with Stefan number up to 3.5. The fluid is a member of a family of fluorinated fluids, which have been used extensively in the electronics industry for soldering, cooling, and testing applications. Experiments were performed by suddenly immersing cold copper spheres in the saturated vapor of this fluid, and heat transfer rates were calculated using the quasi-steady temperature response of the spheres. In these experiments, the difference between saturation and wall temperature varied from 0.5C to 190C. Over this range of temperature difference, the condensate properties vary significantly; viscosity ofmore » the condensate varies by a factor of nearly 50. Corrections for the temperature-dependent properties of the condensate therefore were incorporated in calculating the Nusselt number based on the average heat transfer coefficient. The results are discussed in light of past experimental data and theory for Stefan number less than unity. To the knowledge of the authors, this is the first reported study of condensation heat transfer examining the effects of Stefan number greater than unity.« less

Chemical exchange saturation transfer MRI contrast in the human brain at 9.4 T.

PubMed

Zaiss, Moritz; Schuppert, Mark; Deshmane, Anagha; Herz, Kai; Ehses, Philipp; Füllbier, Lars; Lindig, Tobias; Bender, Benjamin; Ernemann, Ulrike; Scheffler, Klaus

2018-06-15

The high chemical shift separation at 9.4 T allows for selective saturation of proton pools in exchange with water protons. For the first time, highly selective and comprehensive chemical exchange saturation transfer (CEST) experiments were performed in the human brain at 9.4 T. This work provides insight into CEST signals in the human brain in comparison with existing animal studies, as well as with CEST effects in vivo at lower field strengths. A novel snapshot-CEST method for human brain scans at 9.4 T was optimized and employed for highly-spectrally-resolved (95 offsets) CEST measurements in healthy subjects and one brain tumor patient. Reproducibility and stability between scans was verified in grey and white matter after B 0 , B 1 , and motion correction of the acquired 3D CEST volumes. Two-step Lorentzian fitting was used to further improve separation of spectrally discernible signals to create known and novel CEST contrast maps at 9.4 T. At a saturation power of B 1  = 0.5 μT most selective CEST effects could be obtained in the human brain with high inter-scan reproducibility. While contrast behavior of previously measured signals at lower field, namely amide-, guanidyl- and NOE-CEST effects, could be reproduced, novel signals at 2.7 ppm, and -1.6 ppm could be verified in healthy subjects and in a brain tumor patient for the first time. High spectral resolution chemical exchange saturation transfer at 9.4 T allows deeper insights into the Z-spectrum structure of the human brain, and provides many different contrasts showing different correlations in healthy tissue and in tumor-affected areas of the brain, generating hypotheses for future investigations of in-vivo-CEST at UHF. Copyright © 2018 Elsevier Inc. All rights reserved.

Effect of biofilm dryness on the transfer of Listeria monocytogenes biofilms grown on stainless steel to bologna and hard salami.

PubMed

Rodríguez, Andrés; Autio, Wesley R; McLandsborough, Lynne A

2007-11-01

Listeria monocytogenes continues to be a major cause of class I food recalls in the United States. Very little is known about its transfer and cross-contamination in processing scenarios. The objective of this study was to evaluate the effect of hydration level on L. monocytogenes biofilms grown on stainless steel and its effect on the biofilm transfer to foods. Biofilms were grown on stainless steel in diluted tryptic soy broth 1:20 for 48 h at 32 degrees C. After this, biofilms were equilibrated over saturated salt solutions at 20 degrees C for 24 h (94, 75, 58, and 33% relative humidity; % RH) prior to transferring. Transfer experiments were conducted from inoculated stainless steel to bologna and hard salami at a constant pressure (45 kPa) and time (30 s) with a universal testing machine. The experiment was designed with a factorial design 4 x 2 (biofilms equilibrated at 4% RH and two foods) and duplicated every day, and the whole experiment was repeated nine times. The results were analyzed with an analysis of variance by SAS Statistical Analysis Software. Our results showed that more bacteria were transferred to bologna (mean efficiency of transfer [EOT] = 3.0) than to hard salami (mean EOT = 0.35, P < 0.01). As biofilms became drier, the transfer of Listeria from stainless steel to both foods increased (P < 0.05). The EOT increased from 2 to 3.8 and from 0.2 to 0.51 upon transfer when drying the biofilm for bologna and hard salami, respectively. This study may be an indication that as biofilms were dried, the cell-cell and cell-surface interactions became weaker, and bacterial transfer increased. This phenomenon was enhanced in foods containing higher water activity levels. We hypothesize that this increased in transfer was due to the presence of capillary forces in the food.

Transfer Rate Edited experiment for the selective detection of Chemical Exchange via Saturation Transfer (TRE-CEST).

PubMed

Friedman, Joshua I; Xia, Ding; Regatte, Ravinder R; Jerschow, Alexej

2015-07-01

Chemical Exchange Saturation Transfer (CEST) magnetic resonance experiments have become valuable tools in magnetic resonance for the detection of low concentration solutes with far greater sensitivity than direct detection methods. Accurate measures of rates of chemical exchange provided by CEST are of particular interest to biomedical imaging communities where variations in chemical exchange can be related to subtle variations in biomarker concentration, temperature and pH within tissues using MRI. Despite their name, however, traditional CEST methods are not truly selective for chemical exchange and instead detect all forms of magnetization transfer including through-space NOE. This ambiguity crowds CEST spectra and greatly complicates subsequent data analysis. We have developed a Transfer Rate Edited CEST experiment (TRE-CEST) that uses two different types of solute labeling in order to selectively amplify signals of rapidly exchanging proton species while simultaneously suppressing 'slower' NOE-dominated magnetization transfer processes. This approach is demonstrated in the context of both NMR and MRI, where it is used to detect the labile amide protons of proteins undergoing chemical exchange (at rates⩾30s(-1)) while simultaneously eliminating signals originating from slower (∼5s(-1)) NOE-mediated magnetization transfer processes. TRE-CEST greatly expands the utility of CEST experiments in complex systems, and in-vivo, in particular, where it is expected to improve the quantification of chemical exchange and magnetization transfer rates while enabling new forms of imaging contrast. Copyright © 2015 Elsevier Inc. All rights reserved.

Transfer Rate Edited experiment for the selective detection of Chemical Exchange via Saturation Transfer (TRE-CEST)

NASA Astrophysics Data System (ADS)

Friedman, Joshua I.; Xia, Ding; Regatte, Ravinder R.; Jerschow, Alexej

2015-07-01

Chemical Exchange Saturation Transfer (CEST) magnetic resonance experiments have become valuable tools in magnetic resonance for the detection of low concentration solutes with far greater sensitivity than direct detection methods. Accurate measures of rates of chemical exchange provided by CEST are of particular interest to biomedical imaging communities where variations in chemical exchange can be related to subtle variations in biomarker concentration, temperature and pH within tissues using MRI. Despite their name, however, traditional CEST methods are not truly selective for chemical exchange and instead detect all forms of magnetization transfer including through-space NOE. This ambiguity crowds CEST spectra and greatly complicates subsequent data analysis. We have developed a Transfer Rate Edited CEST experiment (TRE-CEST) that uses two different types of solute labeling in order to selectively amplify signals of rapidly exchanging proton species while simultaneously suppressing 'slower' NOE-dominated magnetization transfer processes. This approach is demonstrated in the context of both NMR and MRI, where it is used to detect the labile amide protons of proteins undergoing chemical exchange (at rates ⩾ 30 s-1) while simultaneously eliminating signals originating from slower (∼5 s-1) NOE-mediated magnetization transfer processes. TRE-CEST greatly expands the utility of CEST experiments in complex systems, and in-vivo, in particular, where it is expected to improve the quantification of chemical exchange and magnetization transfer rates while enabling new forms of imaging contrast.

A binomial modeling approach for upscaling colloid transport under unfavorable conditions: Emergent prediction of extended tailing

NASA Astrophysics Data System (ADS)

Hilpert, Markus; Rasmuson, Anna; Johnson, William P.

2017-07-01

Colloid transport in saturated porous media is significantly influenced by colloidal interactions with grain surfaces. Near-surface fluid domain colloids experience relatively low fluid drag and relatively strong colloidal forces that slow their downgradient translation relative to colloids in bulk fluid. Near-surface fluid domain colloids may reenter into the bulk fluid via diffusion (nanoparticles) or expulsion at rear flow stagnation zones, they may immobilize (attach) via primary minimum interactions, or they may move along a grain-to-grain contact to the near-surface fluid domain of an adjacent grain. We introduce a simple model that accounts for all possible permutations of mass transfer within a dual pore and grain network. The primary phenomena thereby represented in the model are mass transfer of colloids between the bulk and near-surface fluid domains and immobilization. Colloid movement is described by a Markov chain, i.e., a sequence of trials in a 1-D network of unit cells, which contain a pore and a grain. Using combinatorial analysis, which utilizes the binomial coefficient, we derive the residence time distribution, i.e., an inventory of the discrete colloid travel times through the network and of their probabilities to occur. To parameterize the network model, we performed mechanistic pore-scale simulations in a single unit cell that determined the likelihoods and timescales associated with the above colloid mass transfer processes. We found that intergrain transport of colloids in the near-surface fluid domain can cause extended tailing, which has traditionally been attributed to hydrodynamic dispersion emanating from flow tortuosity of solute trajectories.

Thermal buoyancy on magneto hydrodynamic flow over a vertical saturated porous surface with viscous dissipation

NASA Astrophysics Data System (ADS)

Nirmala, P. H.; Saila Kumari, A.; Raju, C. S. K.

2018-04-01

In the present article, we studied the magnetohydro dynamic flow induced heat transfer from vertical surface embedded in a saturated porous medium in the presence of viscous dissipation. Appropriate similarity transformations are used to transmute the non-linear governing partial differential equations to non-linear ODE. To solve these ordinary differential equations (ODE) we used the well-known integral method of Von Karman type. A comparison has been done and originates to be in suitable agreement with the previous published results. The tabulated and graphical results are given to consider the physical nature of the problem. From this results we found that the magnetic field parameter depreciate the velocity profiles and improves the heat transfer rate of the flow.

Sound Propagation in Saturated Gas-Vapor-Droplet Suspensions Considering the Effect of Transpiration on Droplet Evaporation

NASA Technical Reports Server (NTRS)

Kandula, Max

2012-01-01

The Sound attenuation and dispersion in saturated gas-vapor-droplet mixtures with evaporation has been investigated theoretically. The theory is based on an extension of the work of Davidson (1975) to accommodate the effects of transpiration on the linear particle relaxation processes of mass, momentum and energy transfer. It is shown that the inclusion of transpiration in the presence of mass transfer improves the agreement between the theory and the experimental data of Cole and Dobbins (1971) for sound attenuation in air-water fogs at low droplet mass concentrations. The results suggest that transpiration has an appreciable effect on both sound absorption and dispersion for both low and high droplet mass concentrations.

Umbrella sampling of proton transfer in a creatine-water system

NASA Astrophysics Data System (ADS)

Ivchenko, Olga; Bachert, Peter; Imhof, Petra

2014-04-01

Proton transfer reactions are among the most common processes in chemistry and biology. Proton transfer between creatine and surrounding solvent water is underlying the chemical exchange saturation transfer used as a contrast in magnetic resonance imaging. The free energy barrier, determined by first-principles umbrella sampling simulations (EaDFT 3 kcal/mol) is in the same order of magnitude as the experimentally obtained activation energy. The underlying mechanism is a first proton transfer from the guanidinium group to the water pool, followed by a second transition where a proton is "transferred back" from the nearest water molecule to the deprotonated nitrogen atom of creatine.

Deciphering the Dynamic Interaction Profile of an Intrinsically Disordered Protein by NMR Exchange Spectroscopy.

PubMed

Delaforge, Elise; Kragelj, Jaka; Tengo, Laura; Palencia, Andrés; Milles, Sigrid; Bouvignies, Guillaume; Salvi, Nicola; Blackledge, Martin; Jensen, Malene Ringkjøbing

2018-01-24

Intrinsically disordered proteins (IDPs) display a large number of interaction modes including folding-upon-binding, binding without major structural transitions, or binding through highly dynamic, so-called fuzzy, complexes. The vast majority of experimental information about IDP binding modes have been inferred from crystal structures of proteins in complex with short peptides of IDPs. However, crystal structures provide a mainly static view of the complexes and do not give information about the conformational dynamics experienced by the IDP in the bound state. Knowledge of the dynamics of IDP complexes is of fundamental importance to understand how IDPs engage in highly specific interactions without concomitantly high binding affinity. Here, we combine rotating-frame R 1ρ , Carr-Purcell-Meiboom Gill relaxation dispersion as well as chemical exchange saturation transfer to decipher the dynamic interaction profile of an IDP in complex with its partner. We apply the approach to the dynamic signaling complex formed between the mitogen-activated protein kinase (MAPK) p38α and the intrinsically disordered regulatory domain of the MAPK kinase MKK4. Our study demonstrates that MKK4 employs a subtle combination of interaction modes in order to bind to p38α, leading to a complex displaying significantly different dynamics across the bound regions.

Mechanistic Insight into Nanoparticle Surface Adsorption by Solution NMR Spectroscopy in an Aqueous Gel

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

Egner, Timothy K.; Naik, Pranjali; Nelson, Nicholas C.

Engineering nanoparticle (NP) functions at the molecular level requires a detailed understanding of the dynamic processes occurring at the NP surface. Herein we show that a combination of dark-state exchange saturation transfer (DEST) and relaxation dispersion (RD) NMR experiments on gel-stabilized NP samples enables the accurate determination of the kinetics and thermodynamics of adsorption. We used the former approach to describe the interaction of cholic acid (CA) and phenol (PhOH) with ceria NPs with a diameter of approximately 200 nm. Whereas CA formed weak interactions with the NPs, PhOH was tightly bound to the NP surface. Interestingly, we found thatmore » the adsorption of PhOH proceeds via an intermediate, weakly bound state in which the small molecule has residual degrees of rotational diffusion. Here we believe the use of aqueous gels for stabilizing NP samples will increase the applicability of solution NMR methods to the characterization of nanomaterials.« less

Mechanistic Insight into Nanoparticle Surface Adsorption by Solution NMR Spectroscopy in an Aqueous Gel

DOE PAGES

Egner, Timothy K.; Naik, Pranjali; Nelson, Nicholas C.; ...

2017-06-22

Engineering nanoparticle (NP) functions at the molecular level requires a detailed understanding of the dynamic processes occurring at the NP surface. Herein we show that a combination of dark-state exchange saturation transfer (DEST) and relaxation dispersion (RD) NMR experiments on gel-stabilized NP samples enables the accurate determination of the kinetics and thermodynamics of adsorption. We used the former approach to describe the interaction of cholic acid (CA) and phenol (PhOH) with ceria NPs with a diameter of approximately 200 nm. Whereas CA formed weak interactions with the NPs, PhOH was tightly bound to the NP surface. Interestingly, we found thatmore » the adsorption of PhOH proceeds via an intermediate, weakly bound state in which the small molecule has residual degrees of rotational diffusion. Here we believe the use of aqueous gels for stabilizing NP samples will increase the applicability of solution NMR methods to the characterization of nanomaterials.« less

Low-loss saturable absorbers based on tapered fibers embedded in carbon nanotube/polymer composites

NASA Astrophysics Data System (ADS)

Martinez, Amos; Al Araimi, Mohammed; Dmitriev, Artemiy; Lutsyk, Petro; Li, Shen; Mou, Chengbo; Rozhin, Alexey; Sumetsky, Misha; Turitsyn, Sergei

2017-12-01

The emergence of low-dimensional materials has opened new opportunities in the fabrication of compact nonlinear photonic devices. Single-walled carbon nanotubes were among the first of those materials to attract the attention of the photonics community owing to their high third order susceptibility, broadband operation, and ultrafast response. Saturable absorption, in particular, has become a widespread application for nanotubes in the mode-locking of a fiber laser where they are used as nonlinear passive amplitude modulators to initiate pulsed operation. Numerous approaches have been proposed for the integration of nanotubes in fiber systems; these can be divided into those that rely on direct interaction (where the nanotubes are sandwiched between fiber connectors) and those that rely on lateral interaction with the evanescence field of the propagating wave. Tapered fibers, in particular, offer excellent flexibility to adjust the nonlinearity of nanotube-based devices but suffer from high losses (typically exceeding 50%) and poor saturable to non-saturable absorption ratios (typically above 1:5). In this paper, we propose a method to fabricate carbon nanotube saturable absorbers with controllable saturation power, low-losses (as low as 15%), and large saturable to non-saturable loss ratios approaching 1:1. This is achieved by optimizing the procedure of embedding tapered fibers in low-refractive index polymers. In addition, this study sheds light in the operation of these devices, highlighting a trade-off between losses and saturation power and providing guidelines for the design of saturable absorbers according to their application.

Association between the APOA2 promoter polymorphism and body weight in Mediterranean and Asia populations: replication of a gene-saturated fat interaction

USDA-ARS?s Scientific Manuscript database

Objective: The APOA2 gene has been associated with obesity and insulin resistance (IR) in animal and human studies with controversial results. We have reported an APOA2–saturated fat interaction determining body mass index (BMI) and obesity in American populations. This work aims to extend our findi...

Biscarbene palladium(II) complexes. reactivity of saturated versus unsaturated N-heterocyclic carbenes.

PubMed

Fu, Ching-Feng; Lee, Chun-Chin; Liu, Yi-Hung; Peng, Shie-Ming; Warsink, Stefan; Elsevier, Cornelis J; Chen, Jwu-Ting; Liu, Shiuh-Tzung

2010-03-15

A series of designed palladium biscarbene complexes including saturated and unsaturated N-heterocyclic carbene (NHC) moieties have been prepared by the carbene transfer methods. All of these complexes have been characterized by (1)H and (13)C NMR spectroscopy as well as X-ray diffraction analysis. The reactivity of Pd-C((saturated NHC)) is distinct from that of Pd-C((unsaturated NHC)). The Pd-C((saturated NHC)) bonds are fairly stable toward reagents such as CF(3)COOH, AgBF(4) and I(2), whereas Pd-C((unsaturated NHC)) bonds are readily cleaved under the similar conditions. Notably, the catalytically activity of these palladium complexes on Suzuki-Miyaura coupling follows the order: (sat-NHC)(2)PdCl(2) > (sat-NHC)(unsat-NHC)PdCl(2 )> (unsat-NHC)(2)PdCl(2).

Pulse switching for high energy lasers

NASA Technical Reports Server (NTRS)

Laudenslager, J. B.; Pacala, T. J. (Inventor)

1981-01-01

A saturable inductor switch for compressing the width and sharpening the rise time of high voltage pulses from a relatively slow rise time, high voltage generator to an electric discharge gas laser (EDGL) also provides a capability for efficient energy transfer from a high impedance primary source to an intermediate low impedance laser discharge network. The switch is positioned with respect to a capacitive storage device, such as a coaxial cable, so that when a charge build-up in the storage device reaches a predetermined level, saturation of the switch inductor releases or switches energy stored in the capactive storage device to the EDGL. Cascaded saturable inductor switches for providing output pulses having rise times of less than ten nanoseconds and a technique for magnetically biasing the saturable inductor switch are disclosed.

Quantitative description of proton exchange processes between water and endogenous and exogenous agents for WEX, CEST, and APT experiments.

PubMed

Zhou, Jinyuan; Wilson, David A; Sun, Phillip Zhe; Klaus, Judith A; Van Zijl, Peter C M

2004-05-01

The proton exchange processes between water and solutes containing exchangeable protons have recently become of interest for monitoring pH effects, detecting cellular mobile proteins and peptides, and enhancing the detection sensitivity of various low-concentration endogenous and exogenous species. In this work, the analytic expressions for water exchange (WEX) filter spectroscopy, chemical exchange-dependent saturation transfer (CEST), and amide proton transfer (APT) experiments are derived by the use of Bloch equations with exchange terms. The effects of the initial states for the system, the difference between a steady state and a saturation state, and the relative contributions of the forward and backward exchange processes are discussed. The theory, in combination with numerical calculations, provides a useful tool for designing experimental schemes and assessing magnetization transfer (MT) processes between water protons and solvent-exchangeable protons. As an example, the case of endogenous amide proton exchange in the rat brain at 4.7 T is analyzed in detail. Copyright 2004 Wiley-Liss, Inc.

Comparison of B0 versus B0 and B1 field inhomogeneity correction for glycosaminoglycan chemical exchange saturation transfer imaging.

PubMed

Müller-Lutz, Anja; Ljimani, Alexandra; Stabinska, Julia; Zaiss, Moritz; Boos, Johannes; Wittsack, Hans-Jörg; Schleich, Christoph

2018-05-14

The study compares glycosaminoglycan chemical exchange saturation transfer (gagCEST) imaging of intervertebral discs corrected for solely B 0 inhomogeneities or both B 0 and B 1 inhomogeneities. Lumbar intervertebral discs of 20 volunteers were examined with T 2 -weighted and gagCEST imaging. Field inhomogeneity correction was performed with B 0 correction only and with correction of both B 0 and B 1 . GagCEST effects measured by the asymmetric magnetization transfer ratio (MTR asym ) and signal-to-noise ratio (SNR) were compared between both methods. Significant higher MTR asym and SNR values were obtained in the nucleus pulposus using B 0 and B 1 correction compared with B 0 -corrected gagCEST. The GagCEST effect was significantly different in the nucleus pulposus compared with the annulus fibrosus for both methods. The B 0 and B 1 field inhomogeneity correction method leads to an improved quality of gagCEST imaging in IVDs compared with only B 0 correction.

Linear and nonlinear Biot waves in a noncohesive granular medium slab: transfer function, self-action, second harmonic generation.

PubMed

Legland, J-B; Tournat, V; Dazel, O; Novak, A; Gusev, V

2012-06-01

Experimental results are reported on second harmonic generation and self-action in a noncohesive granular medium supporting wave energy propagation both in the solid frame and in the saturating fluid. The acoustic transfer function of the probed granular slab can be separated into two main frequency regions: a low frequency region where the wave propagation is controlled by the solid skeleton elastic properties, and a higher frequency region where the behavior is dominantly due to the air saturating the beads. Experimental results agree well with a recently developed nonlinear Biot wave model applied to granular media. The linear transfer function, second harmonic generation, and self-action effect are studied as a function of bead diameter, compaction step, excitation amplitude, and frequency. This parametric study allows one to isolate different propagation regimes involving a range of described and interpreted linear and nonlinear processes that are encountered in granular media experiments. In particular, a theoretical interpretation is proposed for the observed strong self-action effect.

Cation Effects on the Electron-Acceptor Side of Photosystem II.

PubMed

Khan, Sahr; Sun, Jennifer S; Brudvig, Gary W

2015-06-18

The normal pathway of electron transfer on the electron-acceptor side of photosystem II (PSII) involves electron transfer from quinone A, QA, to quinone B, QB. It is possible to redirect electrons from QA(-) to water-soluble Co(III) complexes, which opens a new avenue for harvesting electrons from water oxidation by immobilization of PSII on electrode surfaces. Herein, the kinetics of electron transfer from QA(-) to [Co(III)(terpy)2](3+) (terpy = 2,2';6',2″-terpyridine) are investigated with a spectrophotometric assay revealing that the reaction follows Michaelis-Menten saturation kinetics, is inhibited by cations, and is not affected by variation of the QA reduction potential. A negatively charged site on the stromal surface of the PSII protein complex, composed of glutamic acid residues near QA, is hypothesized to bind cations, especially divalent cations. The cations are proposed to tune the redox properties of QA through electrostatic interactions. These observations may thus explain the molecular basis of the effect of divalent cations like Ca(2+), Sr(2+), Mg(2+), and Zn(2+) on the redox properties of the quinones in PSII, which has previously been attributed to long-range conformational changes propagated from divalent cations binding to the Ca(II)-binding site in the oxygen-evolving complex on the lumenal side of the PSII complex.

(15)N and (13)C group-selective techniques extend the scope of STD NMR detection of weak host-guest interactions and ligand screening.

PubMed

Kövér, Katalin E; Wéber, Edit; Martinek, Tamás A; Monostori, Eva; Batta, Gyula

2010-10-18

Saturation transfer difference (STD) is a valuable tool for studying the binding of small molecules to large biomolecules and for obtaining detailed information on the binding epitopes. Here, we demonstrate that the proposed (15)N/(13)C variants of group-selective, "GS-STD" experiments provide a powerful approach to mapping the binding epitope of a ligand even in the absence of efficient spin diffusion within the target protein. Therefore, these experimental variants broaden the scope of STD studies to smaller and/or more-dynamic targets. The STD spectra obtained in four different experimental setups (selective (1)H STD, (15)N GS-STD, (13)C(Ar) and (13)C(aliphatic) GS-STD approaches) revealed that the signal-intensity pattern of the difference spectra is affected by both the type and the spatial distribution of the excited "transmitter" atoms, as well as by the efficiency of the spin-diffusion-mediated magnetization transfer. The performance of the experiments is demonstrated on a system by using the lectin, galectin-1 and its carbohydrate ligand, lactose.

A poly(acrylonitrile)-functionalized porous aromatic framework synthesized by atom-transfer radical polymerization for the extraction of uranium from seawater

DOE PAGES

Yue, Yanfeng; Zhang, Chenxi; Tang, Qing; ...

2015-10-30

In order to ensure a sustainable reserve of fuel for nuclear power generation, tremendous research efforts have been devoted to developing advanced sorbent materials for extracting uranium from seawater. In this work, a porous aromatic framework (PAF) was surface-functionalized with poly(acrylonitrile) through atom-transfer radical polymerization (ATRP). Batches of this adsorbent were conditioned with potassium hydroxide (KOH) at room temperature or 80 °C prior to contact with a uranium-spiked seawater simulant, with minimal differences in uptake observed as a function of conditioning temperature. A maximum capacity of 4.81 g-U/kg-ads was obtained following 42 days contact with uranium-spiked filtered environmental seawater, whichmore » demonstrates a comparable adsorption rate. A kinetic investigation revealed extremely rapid uranyl uptake, with more than 80% saturation reached within 14 days. Furthermore, relying on the semiordered structure of the PAF adsorbent, density functional theory (DFT) calculations reveal cooperative interactions between multiple adsorbent groups yield a strong driving force for uranium binding.« less

Chalcogenide glass-on-graphene photonics

NASA Astrophysics Data System (ADS)

Lin, Hongtao; Song, Yi; Huang, Yizhong; Kita, Derek; Deckoff-Jones, Skylar; Wang, Kaiqi; Li, Lan; Li, Junying; Zheng, Hanyu; Luo, Zhengqian; Wang, Haozhe; Novak, Spencer; Yadav, Anupama; Huang, Chung-Che; Shiue, Ren-Jye; Englund, Dirk; Gu, Tian; Hewak, Daniel; Richardson, Kathleen; Kong, Jing; Hu, Juejun

2017-12-01

Two-dimensional (2D) materials are of tremendous interest to integrated photonics, given their singular optical characteristics spanning light emission, modulation, saturable absorption and nonlinear optics. To harness their optical properties, these atomically thin materials are usually attached onto prefabricated devices via a transfer process. Here, we present a new route for 2D material integration with planar photonics. Central to this approach is the use of chalcogenide glass, a multifunctional material that can be directly deposited and patterned on a wide variety of 2D materials and can simultaneously function as the light-guiding medium, a gate dielectric and a passivation layer for 2D materials. Besides achieving improved fabrication yield and throughput compared with the traditional transfer process, our technique also enables unconventional multilayer device geometries optimally designed for enhancing light-matter interactions in the 2D layers. Capitalizing on this facile integration method, we demonstrate a series of high-performance glass-on-graphene devices including ultra-broadband on-chip polarizers, energy-efficient thermo-optic switches, as well as graphene-based mid-infrared waveguide-integrated photodetectors and modulators.

How classical gluon fields generate odd azimuthal harmonics for the two-gluon correlation function in high-energy collisions

NASA Astrophysics Data System (ADS)

Kovchegov, Yuri V.; Skokov, Vladimir V.

2018-05-01

We show that, in the saturation/color glass condensate framework, odd azimuthal harmonics of the two-gluon correlation function with a long-range separation in rapidity are generated by the higher-order saturation corrections in the interactions with the projectile and the target. At the very least, the odd harmonics require three scatterings in the projectile and three scatterings in the target. We derive the leading-order expression for the two-gluon production cross section which generates odd harmonics: the expression includes all-order interactions with the target and three interactions with the projectile. We evaluate the obtained expression both analytically and numerically, confirming that the odd-harmonics contribution to the two-gluon production in the saturation framework is nonzero.

Heat transfer and pressure drop of condensation of hydrocarbons in tubes

NASA Astrophysics Data System (ADS)

Fries, Simon; Skusa, Severin; Luke, Andrea

2018-03-01

The heat transfer coefficient and pressure drop are investigated for propane. Two different mild steel plain tubes and saturation pressures are considered for varying mass flux and vapour quality. The pressure drop is compared to the Friedel-Correlation with two different approaches to determine the friction factor. The first is calculation as proposed by Friedel and the second is through single phase pressure drop investigations. For lower vapour qualities the experimental results are in better agreement with the approach of the calculated friction factor. For higher vapour qualities the experimental friction factor is more precise. The pressure drop increases for a decreasing tube diameter and saturation pressure. The circumferential temperature profile and heat transfer coefficients are shown for a constant vapour quality at varying mass fluxes. The subcooling is highest for the bottom of the tube and lowest for the top. The average subcooling as well as the circumferential deviation decreases for rising mass fluxes. The averaged heat transfer coefficients are compared to the model proposed by Thome and Cavallini. The experimental results are in good agreement with both correlations, however the trend is better described with the correlation from Thome. The experimental heat transfer coefficients are under predicted by Thome and over predicted by Cavallini.

Bearing tester data compilation analysis, and reporting and bearing math modeling

NASA Technical Reports Server (NTRS)

Cody, J. C.

1986-01-01

Integration of heat transfer coefficients, modified to account for local vapor quality, into the 45 mm bearing model has been completed. The model has been evaluated with two flow rates and subcooled and saturated coolant. The evaluation showed that by increasing the flow from 3.6 to 7.0 lbs/sec the average ball temperature was decreased by 102 F, using a coolant temperature of -230 F. The average ball temperature was decreased by 63 F by decreasing the inlet coolant temperature from saturated to -230 F at a flow rate of 7.0 lbs/sec. Since other factors such as friction, cage heating, etc., affect bearing temperatures, the above bearing temperature effects should be considered as trends and not absolute values. The two phase heat transfer modification has been installed in the 57 mm bearing model and the effects on bearing temperatures have been evaluated. The average ball temperature was decreased by 60 F by increasing the flow rate from 4.6 to 9.0 lbs/sec for the subcooled case. By decreasing the inlet coolant temperature from saturation to -24 F, the average ball temperature was decreased 57 F for a flow rate of 9.0 lbs/sec. The technique of relating the two phase heat transfer coefficient to local vapor quality will be applied to the tester model and compared with test data.

Laboratory-scale experiments and numerical modeling of cosolvent flushing of multi-component NAPLs in saturated porous media

NASA Astrophysics Data System (ADS)

Agaoglu, Berken; Scheytt, Traugott; Copty, Nadim K.

2012-10-01

This study examines the mechanistic processes governing multiphase flow of a water-cosolvent-NAPL system in saturated porous media. Laboratory batch and column flushing experiments were conducted to determine the equilibrium properties of pure NAPL and synthetically prepared NAPL mixtures as well as NAPL recovery mechanisms for different water-ethanol contents. The effect of contact time was investigated by considering different steady and intermittent flow velocities. A modified version of multiphase flow simulator (UTCHEM) was used to compare the multiphase model simulations with the column experiment results. The effect of employing different grid geometries (1D, 2D, 3D), heterogeneity and different initial NAPL saturation configurations was also examined in the model. It is shown that the change in velocity affects the mass transfer rate between phases as well as the ultimate NAPL recovery percentage. The experiments with low flow rate flushing of pure NAPL and the 3D UTCHEM simulations gave similar effluent concentrations and NAPL cumulative recoveries. Model simulations over-estimated NAPL recovery for high specific discharges and rate-limited mass transfer, suggesting a constant mass transfer coefficient for the entire flushing experiment may not be valid. When multi-component NAPLs are present, the dissolution rate of individual organic compounds (namely, toluene and benzene) into the ethanol-water flushing solution is found not to correlate with their equilibrium solubility values.

Synthesis of a probe for monitoring HSV1-tk reporter gene expression using chemical exchange saturation transfer MRI

PubMed Central

Bar-Shir, Amnon; Liu, Guanshu; Greenberg, Marc M; Bulte, Jeff W M; Gilad, Assaf A

2013-01-01

In experiments involving transgenic animals or animals treated with transgenic cells, it is important to have a method to monitor the expression of the relevant genes longitudinally and noninvasively. An MRI-based reporter gene enables monitoring of gene expression in the deep tissues of living subjects. This information can be co-registered with detailed high-resolution anatomical and functional information. We describe here the synthesis of the reporter probe, 5-methyl-5,6-dihydrothymidine (5-MDHT), which can be used for imaging of the herpes simplex virus type 1 thymidine kinase (HSV1-tk) reporter gene expression in rodents by MRI. The protocol also includes data acquisition and data processing routines customized for chemical exchange saturation transfer (CEST) contrast mechanisms. The dihydropyrimidine 5-MDHT is synthesized through a catalytic hydrogenation of the 5,6-double bond of thymidine to yield 5,6-dihydrothymidine, which is methylated on the C-5 position of the resulting saturated pyrimidine ring. The synthesis of 5-MDHT can be completed within 5 d, and the compound is stable for more than 1 year. PMID:24177294

Recombinant Kinase Production and Fragment Screening by NMR Spectroscopy.

PubMed

Han, Byeonggu; Ahn, Hee-Chul

2016-01-01

During the past decade fragment-based drug discovery (FBDD) has rapidly evolved and several drugs or drug candidates developed by FBDD approach are clinically in use or in clinical trials. For example, vemurafenib, a V600E mutated BRAF inhibitor, was developed by utilizing FBDD approach and approved by FDA in 2011. In FBDD, screening of fragments is the starting step for identification of hits and lead generation. Fragment screening usually relies on biophysical techniques by which the protein-bound small molecules can be detected. NMR spectroscopy has been extensively used to study the molecular interaction between the protein and the ligand, and has many advantages in fragment screening over other biophysical techniques. This chapter describes the practical aspects of fragment screening by saturation transfer difference NMR.

Interaction of dissolution, sorption and biodegradation on transport of BTEX in a saturated groundwater system: Numerical modeling and spatial moment analysis

NASA Astrophysics Data System (ADS)

Valsala, Renu; Govindarajan, Suresh Kumar

2018-06-01

Interaction of various physical, chemical and biological transport processes plays an important role in deciding the fate and migration of contaminants in groundwater systems. In this study, a numerical investigation on the interaction of various transport processes of BTEX in a saturated groundwater system is carried out. In addition, the multi-component dissolution from a residual BTEX source under unsteady flow conditions is incorporated in the modeling framework. The model considers Benzene, Toluene, Ethyl Benzene and Xylene dissolving from the residual BTEX source zone to undergo sorption and aerobic biodegradation within the groundwater aquifer. Spatial concentration profiles of dissolved BTEX components under the interaction of various sorption and biodegradation conditions have been studied. Subsequently, a spatial moment analysis is carried out to analyze the effect of interaction of various transport processes on the total dissolved mass and the mobility of dissolved BTEX components. Results from the present numerical study suggest that the interaction of dissolution, sorption and biodegradation significantly influence the spatial distribution of dissolved BTEX components within the saturated groundwater system. Mobility of dissolved BTEX components is also found to be affected by the interaction of these transport processes.

Relationship between Serum Iron Profile and Blood Groups among the Voluntary Blood Donors of Bangladesh.

PubMed

Hoque, M M; Adnan, S D; Karim, S; Al-Mamun, M A; Faruki, M A; Islam, K; Nandy, S

2016-04-01

Blood donation results in a substantial iron loss and subsequent mobilization from body stores. Chronic iron deficiency is a well-recognized complication of regular blood donation. The present study conducted to compare the level of serum ferritin, serum iron, total iron binding capacity (TIBC) and percentage transferrin saturation in different ABO and Rhesus type blood groups among the voluntary blood donors of Bangladesh. The present prospective study included 100 healthy voluntary donors attending at Department of Blood Transfusion, Dhaka Medical College, Dhaka between the periods of July 2013 to Jun 2014. From each donor 10mL venous blood sample was taken and divided into heparinized and non-heparinized tubes for determination of hemoglobin (Hb), hematocrit (Hct), serum iron (SI), total iron binding capacity (TIBC) and serum ferritin by standard laboratory methods. Percentage of transferrin saturation (TS) calculated from serum iron and TIBC. Data were analyzed with SPSS (version 16) software and comparisons between groups were made using student's t-test and one way ANOVA. In the present study mean±SD of age of the respondents was 27.2±6.5 years with a range of 18 to 49 years and 81.0% were male and 19.0% were female. Among the donors 18.0% had blood group A, 35.0% had blood group B, 14.0% had blood group AB and 33.0% had blood group O. Among the donors 91.0% had rhesus positive and 9.0% had rhesus negative. Donors with blood group O had lowest haemoglobin, serum iron and transferring saturation levels. Donors with blood group A had highest TIBC level. Donors with blood group B had lowest serum ferritin level. An independent samples 't' test showed statistically significant difference in serum ferritin and percentage transferrin saturation between blood group AB and blood group O and in percentage transferrin saturation between blood group B and blood group O. One way ANOVA showed that there is no significant difference in haemoglobin, serum iron, serum ferritin and percentage transferring saturation in different ABO and Rh blood grouping categories. Blood donors with blood group O had lowest haemoglobin, serum iron and transferring saturation levels and donors with blood group A had highest TIBC level. Blood donors with blood group B had lowest serum ferritin level. The understanding of the different blood groups ability to retain iron in their system can give an insight into their ability to handle the disease iron deficiency anaemia.

[Chemical Exchange Saturation Transfer Imaging of Creatine Metabolites: a 3.0 T MRI Pilot].

PubMed

Guo, Ying-kun; Li, Zhen-lin; Rong, Yu; Xia, Chun-chao; Zhang, Li-zhi; Peng, Wan-ling; Liu, Xi; Xu, Hua-yan; Zhang, Ti-jiang; Zuo, Pan-li; Schmitt, Benjamin

2016-03-01

To determine the feasibility of using chemical exchange saturation transfer (CEST) imaging to measure creatine (Cr) metabolites with 3.0 T MR. Phantoms containing different concentrations of Cr under various pH conditions were studied with CEST sequence on 3.0 T MR imaging. CEST effect and Z spectra were analyzed. Cr exhibited significant CEST effect (± 1.8 ppm, F = 99.08, P < 0.001) on 3.0 T MR imaging, and positive correlation was found between the signal intensity and concentration of Cr (r = 0.963, P < 0.001). The CEST effect showed pH dependency of Cr (r = 0.41, P = 0.035). Creatine CEST imaging can be performed on 3.0 T MR imaging. Creatine concentrations and pH influence CEST effect.

Charge Transfer in Saturation Doping of Double-Wall Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Tchernatinsky, Alexander; Jayanthi, Chakram; Sumanasekera, Gamini; Wu, Shi-Yu

2004-03-01

Recent experimental evidences suggest that the outer tube of a double-wall carbon nanotube (DWCNT) may serve as a 'Faraday' cage (G. Chen, et al., Phys. Rev. Lett., 90, 257403 (2003)). In this presentation, we report the result of our systematic study of the effect of saturation doping of a (10,10) single-wall carbon nanotube, a (5,5)@(10,10) DWCNT, and a C_60@(10,10) peapod using DFT-based VASP computational package (G. Kresse and J. Hafner, Phys. Rev. B, 47, 558 (1993)). By comparing the resulting charge transfer of the above mentioned cases we shall provide the physics underlying the Faraday cage behavior of DWCNTs. Acknowledgments: This work was supported by the NSF (DMR-0112824) and the U.S.DOE (DE-FG02-00ER45832).

Ion movement in acidified, low base saturated sand soils.

Treesearch

A. Ray Harris; Douglas M. Stone

1992-01-01

Describes factors causing cation export in leachate in low base saturated forested sand soils. Reports the effects of varying acid precipitation and litter-humus treatments on ion movement and interaction.

An experimental study of laminar film condensation with Stefan number greater than unity

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

Mahajan, R.L.; Dickinson, D.A.; Chu, T.Y.

1990-01-01

Experimental laminar condensation heat transfer data is reported for fluids with Stefan number up to 3.5. The fluid is a member of a family of fluorinated fluids developed in the last decade which have been extensively used in the electronics industry for soldering, cooling, and testing applications. Experiments were performed by suddenly immersing cold copper spheres in the saturated vapor of this fluid, and heat transfer rates were calculated using the quasi-steady temperature response of the spheres. In these experiments, the difference between saturation and wall temperature varied from 0.5{degree}C to 190{degree}C. Over this range of temperature difference, the condensatemore » properties vary significantly. For example, viscosity of the condense varies by a factor of over 50. Corrections for the temperature dependent properties of the condensate therefore were incorporated in calculating the Nusselt number based on the average heat transfer coefficient. The results are discussed in light of past experimental data theory for Stefan number less than 1. To the knowledge of the authors, this is the first reported study of condensation heat transfer for Stefan number greater that unity. 24 refs., 7 figs., 2 tabs.« less

Saturation recovery EPR and ELDOR at W-band for spin labels

PubMed Central

Froncisz, Wojciech; Camenisch, Theodore G.; Ratke, Joseph J.; Anderson, James R.; Subczynski, Witold K.; Strangeway, Robert A.; Sidabras, Jason W.; Hyde, James S.

2008-01-01

A reference-arm W-band (94 GHz) microwave bridge with two sample-irradiation arms for saturation recovery (SR) EPR and ELDOR experiments is described. Frequencies in each arm are derived from 2 GHz synthesizers that have a common time-base and are translated to 94 GHz in steps of 33 and 59 GHz. Intended applications are to nitroxide radical spin labels and spin probes in the liquid phase. An enabling technology is the use of a W-band loop-gap resonator (LGR) (J.W. Sidabras et al., Rev. Sci. Instrum. 78 (2007) 034701). The high efficiency parameter (8.2 GW−1/2 with sample) permits the saturating pump pulse level to be just 5 mW or less. Applications of SR EPR and ELDOR to the hydrophilic spin labels 3-carbamoyl-2,2,5,5-tetra-methyl-3-pyrroline-1-yloxyl (CTPO) and 2,2,6,6,-tetramethyl-4-piperidone-1-oxyl (TEMPONE) are described in detail. In the SR ELDOR experiment, nitrogen nuclear relaxation as well as Heisenberg exchange transfer saturation from pumped to observed hyperfine transitions. SR ELDOR was found to be an essential method for measurements of saturation transfer rates for small molecules such as TEMPONE. Free induction decay (FID) signals for small nitroxides at W-band are also reported. Results are compared with multifrequency measurements of T1e previously reported for these molecules in the range of 2 to 35 GHz (J.S. Hyde et al., J. Phys. Chem. B 108 (2004) 9524–9529). The values of T1e decrease at 94 GHz relative to values at 35 GHz. PMID:18547848

Direct electrochemistry and intramolecular electron transfer of ascorbate oxidase confined on L-cysteine self-assembled gold electrode.

PubMed

Patil, Bhushan; Kobayashi, Yoshiki; Fujikawa, Shigenori; Okajima, Takeyoshi; Mao, Lanqun; Ohsaka, Takeo

2014-02-01

A direct electrochemistry and intramolecular electron transfer of multicopper oxidases are of a great importance for the fabrication of these enzyme-based bioelectrochemical-devices. Ascorbate oxidase from Acremonium sp. (ASOM) has been successfully immobilized via a chemisorptive interaction on the l-cysteine self-assembled monolayer modified gold electrode (cys-SAM/AuE). Thermodynamics and kinetics of adsorption of ASOM on the cys-SAM/AuE were studied using cyclic voltammetry. A well-defined redox wave centered at 166±3mV (vs. Ag│AgCl│KCl(sat.)) was observed in 5.0mM phosphate buffer solution (pH7.0) at the fabricated ASOM electrode, abbreviated as ASOM/cys-SAM/AuE, confirming a direct electrochemistry, i.e., a direct electron transfer (DET) between ASOM and cys-SAM/AuE. The direct electrochemistry of ASOM was further confirmed by taking into account the chemical oxidation of ascorbic acid (AA) by O2 via an intramolecular electron transfer in the ASOM as well as the electrocatalytic oxidation of AA at the ASOM/cys-SAM/AuE. Thermodynamics and kinetics of the adsorption of ASOM on the cys-SAM/AuE have been elaborated along with its direct electron transfer at the modified electrodes on the basis of its intramolecular electron transfer and electrocatalytic activity towards ascorbic acid oxidation and O2 reduction. ASOM saturated surface area was obtained as 2.41×10(-11)molcm(-2) with the apparent adsorption coefficient of 1.63×10(6)Lmol(-1). The ASOM confined on the cys-SAM/AuE possesses its essential enzymatic function. © 2013.

Flip-angle based ratiometric approach for pulsed CEST-MRI pH imaging

NASA Astrophysics Data System (ADS)

Arena, Francesca; Irrera, Pietro; Consolino, Lorena; Colombo Serra, Sonia; Zaiss, Moritz; Longo, Dario Livio

2018-02-01

Several molecules have been exploited for developing MRI pH sensors based on the chemical exchange saturation transfer (CEST) technique. A ratiometric approach, based on the saturation of two exchanging pools at the same saturation power, or by varying the saturation power levels on the same pool, is usually needed to rule out the concentration term from the pH measurement. However, all these methods have been demonstrated by using a continuous wave saturation scheme that limits its translation to clinical scanners. This study shows a new ratiometric CEST-MRI pH-mapping approach based on a pulsed CEST saturation scheme for a radiographic contrast agent (iodixanol) possessing a single chemical exchange site. This approach is based on the ratio of the CEST contrast effects at two different flip angles combinations (180°/360° and 180°/720°), keeping constant the mean irradiation RF power (Bavg power). The proposed ratiometric approach index is concentration independent and it showed good pH sensitivity and accuracy in the physiological range between 6.0 and 7.4.

Lipid order, saturation and surface property relationships: a study of human meibum saturation.

PubMed

Mudgil, Poonam; Borchman, Douglas; Yappert, Marta C; Duran, Diana; Cox, Gregory W; Smith, Ryan J; Bhola, Rahul; Dennis, Gary R; Whitehall, John S

2013-11-01

Tear film stability decreases with age however the cause(s) of the instability are speculative. Perhaps the more saturated meibum from infants may contribute to tear film stability. The meibum lipid phase transition temperature and lipid hydrocarbon chain order at physiological temperature (33 °C) decrease with increasing age. It is reasonable that stronger lipid-lipid interactions could stabilize the tear film since these interactions must be broken for tear break up to occur. In this study, meibum from a pool of adult donors was saturated catalytically. The influence of saturation on meibum hydrocarbon chain order was determined by infrared spectroscopy. Meibum is in an anhydrous state in the meibomian glands and on the surface of the eyelid. The influence of saturation on the surface properties of meibum was determined using Langmuir trough technology. Saturation of native human meibum did not change the minimum or maximum values of hydrocarbon chain order so at temperatures far above or below the phase transition of human meibum, saturation does not play a role in ordering or disordering the lipid hydrocarbon chains. Saturation did increase the phase transition temperature in human meibum by over 20 °C, a relatively high amount. Surface pressure-area studies showing the late take off and higher maximum surface pressure of saturated meibum compared to native meibum suggest that the saturated meibum film is quite molecularly ordered (stiff molecular arrangement) and elastic (molecules are able to rearrange during compression and expansion) compared with native meibum films which are more fluid agreeing with the infrared spectroscopic results of this study. In saturated meibum, the formation of compacted ordered islands of lipids above the surfactant layer would be expected to decrease the rate of evaporation compared to fluid and more loosely packed native meibum. Higher surface pressure observed with films of saturated meibum compared to native meibum suggests greater film stability especially under the high shear stress of a blink. Copyright © 2013 Elsevier Ltd. All rights reserved.

When gluons go odd: how classical gluon fields generate odd azimuthal harmonics for the two-gluon correlation function in high-energy collisions

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

Kovchegov, Yuri V.; Skokov, Vladimir V.

We show that, in the saturation/Color Glass Condensate framework, odd azimuthal harmonics of the two-gluon correlation function with a long-range separation in rapidity are generated by the higher-order saturation corrections in the interactions with the projectile and the target. At the very least, the odd harmonics require three scatterings in the projectile and three scatterings in the target. We derive the leading-order expression for the two-gluon production cross section which generates odd harmonics: the expression includes all-order interactions with the target and three interactions with the projectile. Here, we evaluate the obtained expression both analytically and numerically, confirming that themore » odd-harmonics contribution to the two-gluon production in the saturation framework is non-zero.« less

When gluons go odd: how classical gluon fields generate odd azimuthal harmonics for the two-gluon correlation function in high-energy collisions

DOE PAGES

Kovchegov, Yuri V.; Skokov, Vladimir V.

2018-04-30

We show that, in the saturation/Color Glass Condensate framework, odd azimuthal harmonics of the two-gluon correlation function with a long-range separation in rapidity are generated by the higher-order saturation corrections in the interactions with the projectile and the target. At the very least, the odd harmonics require three scatterings in the projectile and three scatterings in the target. We derive the leading-order expression for the two-gluon production cross section which generates odd harmonics: the expression includes all-order interactions with the target and three interactions with the projectile. Here, we evaluate the obtained expression both analytically and numerically, confirming that themore » odd-harmonics contribution to the two-gluon production in the saturation framework is non-zero.« less

Mass transfer model of nanoparticle-facilitated contaminant transport in saturated porous media.

PubMed

Johari, Wan Lutfi Wan; Diamessis, Peter J; Lion, Leonard W

2010-02-01

A one-dimensional model has been evaluated for transport of hydrophobic contaminants, such as polycyclic aromatic hydrocarbon (PAH) compounds, facilitated by synthetic amphiphilic polyurethane (APU) nanoparticles in porous media. APU particles synthesized from poly(ethylene glycol)-modified urethane acrylate (PMUA) precursor chains have been shown to enhance the desorption rate and mobility of phenanthrene (PHEN) in soil. A reversible process governed by attachment and detachment rates was considered to describe the PMUA binding in soil in addition to PMUA transport through advection and dispersion. Ultimately, an irreversible second-order PMUA attachment rate in which the fractional soil saturation capacity with PMUA was a rate control was found to be adequate to describe the retention of PMUA particles. A gamma-distributed site model (GS) was used to describe the spectrum of physical/chemical constraints for PHEN transfer from solid to aqueous phases. Instantaneous equilibrium was assumed for PMUA-PHEN interactions. The coupled model for PMUA and PHEN behavior successfully described the enhanced elution profile of PHEN by PMUA. Sensitivity analysis was performed to analyze the significance of model parameters on model predictions. The adjustable parameter alpha in the gamma-distribution shapes the contaminant desorption distribution profile as well as elution and breakthrough curves. Model simulations show the use of PMUA can be also expected to improve the release rate of PHEN in soils with higher organic carbon content. The percentage removal of PHEN mass over time is shown to be influenced by the concentration of PMUA added and this information can be used to optimize cost and time require to accomplish a desired remediation goal. Copyright 2009 Elsevier Ltd. All rights reserved.

Dependence and independence of survival parameters on linear energy transfer in cells and tissues

PubMed Central

Ando, Koichi; Goodhead, Dudley T.

2016-01-01

Carbon-ion radiotherapy has been used to treat more than 9000 cancer patients in the world since 1994. Spreading of the Bragg peak is necessary for carbon-ion radiotherapy, and is designed based on the linear–quadratic model that is commonly used for photon therapy. Our recent analysis using in vitro cell kills and in vivo mouse tissue reaction indicates that radiation quality affects mainly the alpha terms, but much less the beta terms, which raises the question of whether this is true in other biological systems. Survival parameters alpha and beta for 45 in vitro mammalian cell lines were obtained by colony formation after irradiation with carbon ions, fast neutrons and X-rays. Relationships between survival parameters and linear energy transfer (LET) below 100 keV/μm were obtained for 4 mammalian cell lines. Mouse skin reaction and tumor growth delay were measured after fractionated irradiation. The Fe-plot provided survival parameters of the tissue reactions. A clear separation between X-rays and high-LET radiation was observed for alpha values, but not for beta values. Alpha values/terms increased with increasing LET in any cells and tissues studied, while beta did not show a systematic change. We have found a puzzle or contradiction in common interpretations of the linear-quadratic model that causes us to question whether the model is appropriate for interpreting biological effectiveness of high-LET radiation up to 500 keV/μm, probably because of inconsistency in the concept of damage interaction. A repair saturation model proposed here was good enough to fit cell kill efficiency by radiation of wide-ranged LET. A model incorporating damage complexity and repair saturation would be suitable for heavy-ion radiotherapy. PMID:27380803

Alternative quinone substrates and inhibitors of human electron-transfer flavoprotein-ubiquinone oxidoreductase.

PubMed Central

Simkovic, Martin; Frerman, Frank E

2004-01-01

Electron-transfer flavoprotein (ETF)-ubiquinone (2,3-dimethoxy-5-methyl-1,4-benzoquinone) oxidoreductase (ETF-QO) is a membrane-bound iron-sulphur flavoprotein that participates in an electron-transport pathway between eleven mitochondrial flavoprotein dehydrogenases and the ubiquinone pool. ETF is the intermediate electron carrier between the dehydrogenases and ETF-QO. The steady-state kinetic constants of human ETF-QO were determined with ubiquinone homologues and analogues that contained saturated n-alkyl substituents at the 6 position. These experiments show that optimal substrates contain a ten-carbon-atom side chain, consistent with a preliminary crystal structure that shows that only the first two of ten isoprene units of co-enzyme Q10 (CoQ10) interact with the protein. Derivatives with saturated alkyl side chains are very good substrates, indicating that, unlike other ubiquinone oxidoreductases, there is little preference for the methyl branches or rigidity of the CoQ side chain. Few of the compounds that inhibit ubiquinone oxidoreductases inhibit ETF-QO. Compounds found to act as inhibitors of ETF-QO include 2-n-heptyl-4-hydroxyquinoline N-oxide, a naphthoquinone analogue, 2-(3-methylpentyl)-4,6-dinitrophenol and pentachlorophenol. 2,5-dibromo-3-methyl-6-isopropyl-p-benzoquinone (DBMIB), which inhibits the mitochondrial bc1 complex and the chloroplast b6 f complex in redox-dependent fashion, can serve as an electron acceptor for human ETF-QO. The observation of simple Michaelis-Menten kinetic patterns and a single type of quinone-binding site, determined by fluorescence titrations of the protein with DBMIB and 6-(10-bromodecyl)ubiquinone, are consistent with one ubiquinone-binding site per ETF-QO monomer. PMID:14640977

Alternative quinone substrates and inhibitors of human electron-transfer flavoprotein-ubiquinone oxidoreductase.

PubMed

Simkovic, Martin; Frerman, Frank E

2004-03-01

Electron-transfer flavoprotein (ETF)-ubiquinone (2,3-dimethoxy-5-methyl-1,4-benzoquinone) oxidoreductase (ETF-QO) is a membrane-bound iron-sulphur flavoprotein that participates in an electron-transport pathway between eleven mitochondrial flavoprotein dehydrogenases and the ubiquinone pool. ETF is the intermediate electron carrier between the dehydrogenases and ETF-QO. The steady-state kinetic constants of human ETF-QO were determined with ubiquinone homologues and analogues that contained saturated n-alkyl substituents at the 6 position. These experiments show that optimal substrates contain a ten-carbon-atom side chain, consistent with a preliminary crystal structure that shows that only the first two of ten isoprene units of co-enzyme Q10 (CoQ10) interact with the protein. Derivatives with saturated alkyl side chains are very good substrates, indicating that, unlike other ubiquinone oxidoreductases, there is little preference for the methyl branches or rigidity of the CoQ side chain. Few of the compounds that inhibit ubiquinone oxidoreductases inhibit ETF-QO. Compounds found to act as inhibitors of ETF-QO include 2-n-heptyl-4-hydroxyquinoline N-oxide, a naphthoquinone analogue, 2-(3-methylpentyl)-4,6-dinitrophenol and pentachlorophenol. 2,5-dibromo-3-methyl-6-isopropyl-p-benzoquinone (DBMIB), which inhibits the mitochondrial bc1 complex and the chloroplast b6 f complex in redox-dependent fashion, can serve as an electron acceptor for human ETF-QO. The observation of simple Michaelis-Menten kinetic patterns and a single type of quinone-binding site, determined by fluorescence titrations of the protein with DBMIB and 6-(10-bromodecyl)ubiquinone, are consistent with one ubiquinone-binding site per ETF-QO monomer.

Chemical Exchange Saturation Transfer in Chemical Reactions: A Mechanistic Tool for NMR Detection and Characterization of Transient Intermediates.

PubMed

Lokesh, N; Seegerer, Andreas; Hioe, Johnny; Gschwind, Ruth M

2018-02-07

The low sensitivity of NMR and transient key intermediates below detection limit are the central problems studying reaction mechanisms by NMR. Sensitivity can be enhanced by hyperpolarization techniques such as dynamic nuclear polarization or the incorporation/interaction of special hyperpolarized molecules. However, all of these techniques require special equipment, are restricted to selective reactions, or undesirably influence the reaction pathways. Here, we apply the chemical exchange saturation transfer (CEST) technique for the first time to NMR detect and characterize previously unobserved transient reaction intermediates in organocatalysis. The higher sensitivity of CEST and chemical equilibria present in the reaction pathway are exploited to access population and kinetics information on low populated intermediates. The potential of the method is demonstrated on the proline-catalyzed enamine formation for unprecedented in situ detection of a DPU stabilized zwitterionic iminium species, the elusive key intermediate between enamine and oxazolidinones. The quantitative analysis of CEST data at 250 K revealed the population ratio of [Z-iminium]/[exo-oxazolidinone] 0.02, relative free energy +8.1 kJ/mol (calculated +7.3 kJ/mol), and free energy barrier of +45.9 kJ/mol (ΔG ⧧ calc. (268 K) = +42.2 kJ/mol) for Z-iminium → exo-oxazolidinone. The findings underpin the iminium ion participation in enamine formation pathway corroborating our earlier theoretical prediction and help in better understanding. The reliability of CEST is validated using 1D EXSY-build-up techniques at low temperature (213 K). The CEST method thus serves as a new tool for mechanistic investigations in organocatalysis to access key information, such as chemical shifts, populations, and reaction kinetics of intermediates below the standard NMR detection limit.

Observing and preventing rubidium runaway in a direct-infusion xenon-spin hyperpolarizer optimized for high-resolution hyper-CEST (chemical exchange saturation transfer using hyperpolarized nuclei) NMR.

PubMed

Witte, C; Kunth, M; Rossella, F; Schröder, L

2014-02-28

Xenon is well known to undergo host-guest interactions with proteins and synthetic molecules. As xenon can also be hyperpolarized by spin exchange optical pumping, allowing the investigation of highly dilute systems, it makes an ideal nuclear magnetic resonance probe for such host molecules. The utility of xenon as a probe can be further improved using Chemical Exchange Saturation Transfer using hyperpolarized nuclei (Hyper-CEST), but for highly accurate experiments requires a polarizer and xenon infusion system optimized for such measurements. We present the design of a hyperpolarizer and xenon infusion system specifically designed to meet the requirements of Hyper-CEST measurements. One key element of this design is preventing rubidium runaway, a chain reaction induced by laser heating that prevents efficient utilization of high photon densities. Using thermocouples positioned along the pumping cell we identify the sources of heating and conditions for rubidium runaway to occur. We then demonstrate the effectiveness of actively cooling the optical cell to prevent rubidium runaway in a compact setup. This results in a 2-3-fold higher polarization than without cooling, allowing us to achieve a polarization of 25% at continuous flow rates of 9 ml/min of (129)Xe. The simplicity of this design also allows it to be retrofitted to many existing polarizers. Combined with a direction infusion system that reduces shot-to-shot noise down to 0.56% we have captured Hyper-CEST spectra in unprecedented detail, allowing us to completely resolve peaks separated by just 1.62 ppm. Due to its high polarization and excellent stability, our design allows the comparison of underlying theories of host-guest systems with experiment at low concentrations, something extremely difficult with previous polarizers.

On the origins of chemical exchange saturation transfer (CEST) contrast in tumors at 9.4 T.

PubMed

Xu, Junzhong; Zaiss, Moritz; Zu, Zhongliang; Li, Hua; Xie, Jingping; Gochberg, Daniel F; Bachert, Peter; Gore, John C

2014-04-01

Chemical exchange saturation transfer (CEST) provides an indirect means to detect exchangeable protons within tissues through their effects on the water signal. Previous studies have suggested that amide proton transfer (APT) imaging, a specific form of CEST, detects endogenous amide protons with a resonance frequency offset 3.5 ppm downfield from water, and thus may be sensitive to variations in mobile proteins/peptides in tumors. However, as CEST measurements are influenced by various confounding effects, such as spillover saturation, magnetization transfer (MT) and MT asymmetry, the mechanism or degree of increased APT signal in tumors is not certain. In addition to APT, nuclear Overhauser enhancement (NOE) effects upfield from water may also provide distinct information on tissue composition. In the current study, APT, NOE and several other MR parameters were measured and compared comprehensively in order to elucidate the origins of APT and NOE contrasts in tumors at 9.4 T. In addition to conventional CEST methods, a new intrinsic inverse metric was applied to correct for relaxation and other effects. After corrections for spillover, MT and T1 effects, corrected APT in tumors was found not to be significantly different from that in normal tissues, but corrected NOE effects in tumors showed significant decreases compared with those in normal tissues. Biochemical measurements verified that there was no significant enhancement of protein contents in the tumors studied, consistent with the corrected APT measurements and previous literature, whereas quantitative MT data showed decreases in the fractions of immobile macromolecules in tumors. Our results may assist in the better understanding of the contrast depicted by CEST imaging in tumors, and in the development of improved APT and NOE measurements for cancer imaging. Copyright © 2014 John Wiley & Sons, Ltd.

Amide proton transfer imaging of adult diffuse gliomas: correlation with histopathological grades.

PubMed

Togao, Osamu; Yoshiura, Takashi; Keupp, Jochen; Hiwatashi, Akio; Yamashita, Koji; Kikuchi, Kazufumi; Suzuki, Yuriko; Suzuki, Satoshi O; Iwaki, Toru; Hata, Nobuhiro; Mizoguchi, Masahiro; Yoshimoto, Koji; Sagiyama, Koji; Takahashi, Masaya; Honda, Hiroshi

2014-03-01

Amide proton transfer (APT) imaging is a novel molecular MRI technique to detect endogenous mobile proteins and peptides through chemical exchange saturation transfer. We prospectively assessed the usefulness of APT imaging in predicting the histological grade of adult diffuse gliomas. Thirty-six consecutive patients with histopathologically proven diffuse glioma (48.1 ± 14.7 y old, 16 males and 20 females) were included in the study. APT MRI was conducted on a 3T clinical scanner and was obtained with 2 s saturation at 25 saturation frequency offsets ω = -6 to +6 ppm (step 0.5 ppm). δB0 maps were acquired separately for a point-by-point δB0 correction. APT signal intensity (SI) was defined as magnetization transfer asymmetry at 3.5 ppm: magnetization transfer ratio (MTR)asym = (S[-3.5 ppm] - S[+3.5 ppm])/S0. Regions of interest were carefully placed by 2 neuroradiologists in solid parts within brain tumors. The APT SI was compared with World Health Organization grade, Ki-67 labeling index (LI), and cell density. The mean APT SI values were 2.1 ± 0.4% in grade II gliomas (n = 8), 3.2 ± 0.9% in grade III gliomas (n = 10), and 4.1 ± 1.0% in grade IV gliomas (n = 18). Significant differences in APT intensity were observed between grades II and III (P < .05) and grades III and IV (P < .05), as well as between grades II and IV (P < .001). There were positive correlations between APT SI and Ki-67 LI (P = .01, R = 0.43) and between APT SI and cell density (P < .05, R = 0.38). The gliomas with microscopic necrosis showed higher APT SI than those without necrosis (P < .001). APT imaging can predict the histopathological grades of adult diffuse gliomas.

Influence of carbohydrates on the interaction of procyanidin B3 with trypsin.

PubMed

Gonçalves, Rui; Mateus, Nuno; De Freitas, Victor

2011-11-09

The biological properties of procyanidins, in particular their inhibition of digestive enzymes, have received much attention in the past few years. Dietary carbohydrates are an environmental factor that is known to affect the interaction of procyanidins with proteins. This work aimed at understanding the effect of ionic food carbohydrates (polygalacturonic acid, arabic gum, pectin, and xanthan gum) on the interaction between procyanidins and trypsin. Physical-chemical techniques such as saturation transfer difference-NMR (STD-NMR) spectroscopy, fluorescence quenching, and nephelometry were used to evaluate the interaction process. Using STD-NMR, it was possible to identify the binding of procyanidin B3 to trypsin. The tested carbohydrates prevented the association of procyanidin B3 and trypsin by a competition mechanism in which the ionic character of carbohydrates and their ability to encapsulate procyanidins seem crucial leading to a reduction in STD signal and light scattering and to a recovery of the proteins intrinsic fluorescence. On the basis of these results, it was possible to grade the carbohydrates in their aggregation inhibition ability: XG > PA > AG ≫ PC. These effects may be relevant since the coingestion of procyanidins and ionic carbohydrates are frequent and furthermore since these might negatively affect the antinutritional properties ascribed to procyanidins in the past.

Graphane versus graphene: a computational investigation of the interaction of nucleobases, aminoacids, heterocycles, small molecules (CO2, H2O, NH3, CH4, H2), metal ions and onium ions.

PubMed

Umadevi, Deivasigamani; Narahari Sastry, G

2015-11-11

Graphane has emerged as a two-dimensional hydrocarbon with interesting physical properties and potential applications. Understanding the interaction of graphane with various molecules and ions is crucial to appreciate its potential applications. We investigated the interaction of nucleobases, aminoacids, saturated and unsaturated heterocycles, small molecules, metal ions and onium ions with graphane by using density functional theory calculations. The preferred orientations of these molecules and ions on the graphane surface have been analysed. The binding energies of graphane with these molecules have been compared with the corresponding binding energies of graphene. Our results reveal that graphane forms stable complexes with all the molecules and ions yet showing lesser binding affinity when compared to graphene. As an exemption, the preferential strong binding of H2O with graphane than graphene reveals the fact that graphane is more hydrophilic than graphene. Charge transfer between graphane and the molecules and ions have been found to be an important factor in determining the binding strength of the complexes. The effect of the interaction of these molecules and ions on the HOMO-LUMO energy gap of graphane has also been investigated.

Structure-Based Virtual Ligand Screening on the XRCC4/DNA Ligase IV Interface

NASA Astrophysics Data System (ADS)

Menchon, Grégory; Bombarde, Oriane; Trivedi, Mansi; Négrel, Aurélie; Inard, Cyril; Giudetti, Brigitte; Baltas, Michel; Milon, Alain; Modesti, Mauro; Czaplicki, Georges; Calsou, Patrick

2016-03-01

The association of DNA Ligase IV (Lig4) with XRCC4 is essential for repair of DNA double-strand breaks (DSBs) by Non-homologous end-joining (NHEJ) in humans. DSBs cytotoxicity is largely exploited in anticancer therapy. Thus, NHEJ is an attractive target for strategies aimed at increasing the sensitivity of tumors to clastogenic anticancer treatments. However the high affinity of the XRCC4/Lig4 interaction and the extended protein-protein interface make drug screening on this target particularly challenging. Here, we conducted a pioneering study aimed at interfering with XRCC4/Lig4 assembly. By Molecular Dynamics simulation using the crystal structure of the complex, we first delineated the Lig4 clamp domain as a limited suitable target. Then, we performed in silico screening of ~95,000 filtered molecules on this Lig4 subdomain. Hits were evaluated by Differential Scanning Fluorimetry, Saturation Transfer Difference - NMR spectroscopy and interaction assays with purified recombinant proteins. In this way we identified the first molecule able to prevent Lig4 binding to XRCC4 in vitro. This compound has a unique tripartite interaction with the Lig4 clamp domain that suggests a starting chemotype for rational design of analogous molecules with improved affinity.

Effects of Chain Length and Saturability of Fatty Acids on Phospholipids and Proteins in Plasma Membranes of Bovine Mammary Gland.

PubMed

Yan, Qiongxian; Tang, Shaoxun; Han, Xuefeng; Bamikole, Musibau Adungbe; Zhou, Chuanshe; Kang, Jinhe; Wang, Min; Tan, Zhiliang

2016-12-01

Free fatty acids (FFAs) in plasma are essential substrates for de novo synthesis of milk fat, or directly import into mammary cells. The physico-chemical properties of mammary cells membrane composition affected by FFAs with different chain lengths and saturability are unclear yet. Employing GC, FTIR and fluorescence spectroscopy, the adsorption capacity, phospholipids content, membrane proteins conformation, lipid peroxidation product, and free sulfhydryl of plasma membranes (PMs) interacted with different FFAs were determined. The mammary cells PMs at 38 and 39.5 °C showed different adsorption capacities: acetic acid (Ac) > stearic acid (SA) > β-hydroxybutyric acid (BHBA) > trans10, cis12 CLA. In the FTIR spectrum, the major adsorption peaks appeared at 2920 and 2850 cm -1 for phospholipids, and at 1628 and 1560 cm -1 for membrane proteins. The intensities of PMs-FFAs complexes were varied with the FFAs species and their initial concentrations. The β-sheet and turn structures of membrane proteins were transferred into random coil and α-helix after BHBA, SA and trans10, cis12 CLA treatments compared with Ac treatment. The quenching effects on the fluorescence of endogenous membrane protein, 1, 8-ANS, NBD-PE, and DHPE entrapped in PMs by LCFA were different from those of short chain FFAs. These results indicate that the adsorption of FFAs could change membrane protein conformation and polarity of head group in phospholipids. This variation of the mammary cells PMs was regulated by carbon chain length and saturability of FFAs.

Stratocumulus Cloud Top Radiative Cooling and Cloud Base Updraft Speeds

NASA Astrophysics Data System (ADS)

Kazil, J.; Feingold, G.; Balsells, J.; Klinger, C.

2017-12-01

Cloud top radiative cooling is a primary driver of turbulence in the stratocumulus-topped marine boundary. A functional relationship between cloud top cooling and cloud base updraft speeds may therefore exist. A correlation of cloud top radiative cooling and cloud base updraft speeds has been recently identified empirically, providing a basis for satellite retrieval of cloud base updraft speeds. Such retrievals may enable analysis of aerosol-cloud interactions using satellite observations: Updraft speeds at cloud base co-determine supersaturation and therefore the activation of cloud condensation nuclei, which in turn co-determine cloud properties and precipitation formation. We use large eddy simulation and an off-line radiative transfer model to explore the relationship between cloud-top radiative cooling and cloud base updraft speeds in a marine stratocumulus cloud over the course of the diurnal cycle. We find that during daytime, at low cloud water path (CWP < 50 g m-2), cloud base updraft speeds and cloud top cooling are well-correlated, in agreement with the reported empirical relationship. During the night, in the absence of short-wave heating, CWP builds up (CWP > 50 g m-2) and long-wave emissions from cloud top saturate, while cloud base heating increases. In combination, cloud top cooling and cloud base updrafts become weakly anti-correlated. A functional relationship between cloud top cooling and cloud base updraft speed can hence be expected for stratocumulus clouds with a sufficiently low CWP and sub-saturated long-wave emissions, in particular during daytime. At higher CWPs, in particular at night, the relationship breaks down due to saturation of long-wave emissions from cloud top.

Liquid oxygen/liquid hydrogen boost/vane pump for the advanced orbit transfer vehicles auxiliary propulsion system

NASA Technical Reports Server (NTRS)

Gluzek, F.; Mokadam, R. G.; To, I. H.; Stanitz, J. D.; Wollschlager, J.

1979-01-01

A rotating, positive displacement vane pump with an integral boost stage was designed to pump saturated liquid oxygen and liquid hydrogen for auxiliary propulsion system of orbit transfer vehicle. This unit is designed to ingest 10% vapor by volume, contamination free liquid oxygen and liquid hydrogen. The final pump configuration and the predicted performance are included.

Heat conduction in chain polymer liquids: molecular dynamics study on the contributions of inter- and intramolecular energy transfer.

PubMed

Ohara, Taku; Yuan, Tan Chia; Torii, Daichi; Kikugawa, Gota; Kosugi, Naohiro

2011-07-21

In this paper, the molecular mechanisms which determine the thermal conductivity of long chain polymer liquids are discussed, based on the results observed in molecular dynamics simulations. Linear n-alkanes, which are typical polymer molecules, were chosen as the target of our studies. Non-equilibrium molecular dynamics simulations of bulk liquid n-alkanes under a constant temperature gradient were performed. Saturated liquids of n-alkanes with six different chain lengths were examined at the same reduced temperature (0.7T(c)), and the contributions of inter- and intramolecular energy transfer to heat conduction flux, which were identified as components of heat flux by the authors' previous study [J. Chem. Phys. 128, 044504 (2008)], were observed. The present study compared n-alkane liquids with various molecular lengths at the same reduced temperature and corresponding saturated densities, and found that the contribution of intramolecular energy transfer to the total heat flux, relative to that of intermolecular energy transfer, increased with the molecular length. The study revealed that in long chain polymer liquids, thermal energy is mainly transferred in the space along the stiff intramolecular bonds. This finding implies a connection between anisotropic thermal conductivity and the orientation of molecules in various organized structures with long polymer molecules aligned in a certain direction, which includes confined polymer liquids and self-organized structures such as membranes of amphiphilic molecules in water.

Interaction between the APOC3 gene promoter polymorphisms, saturated fat intake and plasma lipoproteins.

PubMed

Brown, Sherine; Ordovás, José M; Campos, Hannia

2003-10-01

To test the hypothesis that APOC3 gene polymorphisms modulate the effect of saturated fat (SAT) intake on plasma lipoproteins and LDL size. We studied 336 randomly selected residents from Costa Rica. APOC3 polymorphisms were genotyped in the promoter region (T-455C, T-625del) and the C3238G 3' untranslated region (UTR). Dietary intake was assessed by a validated food-frequency questionnaire (FFQ) and median saturated fat intake (11%) was used to define low and high exposure to saturated fat. Allele frequencies were 0.49, 0.51 and 0.19 for the APOC3-455C, -625de1, and APOC3 3238G alleles, respectively. Significant gene-diet interactions were found for total (P<0.0004) and LDL cholesterol (P<0.01). In homozygotes for the APOC3-455T-625T alleles, saturated fat intake was associated with a 13% increase in total cholesterol (P<0.001) and a 20% increase in LDL cholesterol (P<0.001). In contrast, no association between plasma lipoproteins and saturated fat intake was found among carriers of the APOC3-455C-625del allele. The APOC3 3238G UTR allele did not modify the observed association. Compared to a diet high in saturated fat, a habitually low saturated fat diet is associated with a beneficial lipoprotein profile only among homozygotes of the APOC3 promoter 455T-625T polymorphism.

Technical insight on the requirements for CO2-saturated growth of microalgae in photobioreactors.

PubMed

Yuvraj; Padmanabhan, Padmini

2017-06-01

Microalgal cultures are usually sparged with CO 2 -enriched air to preclude CO 2 limitation during photoautotrophic growth. However, the CO 2 vol% specifically required at operating conditions to meet the carbon requirement of algal cells in photobioreactor is never determined and 1-10% v/v CO 2 -enriched air is arbitrarily used. A scheme is proposed and experimentally validated for Chlorella vulgaris that allows computing CO 2 -saturated growth feasible at given CO 2 vol% and volumetric O 2 mass-transfer coefficient (k L a) O . CO 2 sufficiency in an experiment can be theoretically established to adjust conditions for CO 2 -saturated growth. The methodology completely eliminates the requirement of CO 2 electrode for online estimation of dissolved CO 2 to determine critical CO 2 concentration (C crit ), specific CO 2 uptake rate (SCUR), and volumetric CO 2 mass-transfer coefficient (k L a) C required for the governing CO 2 mass-transfer equation. C crit was estimated from specific O 2 production rate (SOPR) measurements at different dissolved CO 2 concentrations. SCUR was calculated from SOPR and photosynthetic quotient (PQ) determined from the balanced stoichiometric equation of growth. Effect of light attenuation and nutrient depletion on biomass estimate is also discussed. Furthermore, a simple design of photosynthetic activity measurement system was used, which minimizes light attenuation by hanging a low depth (ca. 10 mm) culture over the light source.

Measurement of unsaturated hydraulic properties and evaluation of property-transfer models for deep sedimentary interbeds, Idaho National Laboratory, Idaho

USGS Publications Warehouse

Perkins, Kimberlie; Johnson, Brittany D.; Mirus, Benjamin B.

2014-01-01

During 2013–14, the USGS, in cooperation with the U.S. Department of Energy, focused on further characterization of the sedimentary interbeds below the future site of the proposed Remote Handled Low-Level Waste (RHLLW) facility, which is intended for the long-term storage of low-level radioactive waste. Twelve core samples from the sedimentary interbeds from a borehole near the proposed facility were collected for laboratory analysis of hydraulic properties, which also allowed further testing of the property-transfer modeling approach. For each core sample, the steady-state centrifuge method was used to measure relations between matric potential, saturation, and conductivity. These laboratory measurements were compared to water-retention and unsaturated hydraulic conductivity parameters estimated using the established property-transfer models. For each core sample obtained, the agreement between measured and estimated hydraulic parameters was evaluated quantitatively using the Pearson correlation coefficient (r). The highest correlation is for saturated hydraulic conductivity (Ksat) with an r value of 0.922. The saturated water content (qsat) also exhibits a strong linear correlation with an r value of 0.892. The curve shape parameter (λ) has a value of 0.731, whereas the curve scaling parameter (yo) has the lowest r value of 0.528. The r values demonstrate that model predictions correspond well to the laboratory measured properties for most parameters, which supports the value of extending this approach for quantifying unsaturated hydraulic properties at various sites throughout INL.

Laboratory-scale experiments and numerical modeling of cosolvent flushing of multi-component NAPLs in saturated porous media.

PubMed

Agaoglu, Berken; Scheytt, Traugott; Copty, Nadim K

2012-10-01

This study examines the mechanistic processes governing multiphase flow of a water-cosolvent-NAPL system in saturated porous media. Laboratory batch and column flushing experiments were conducted to determine the equilibrium properties of pure NAPL and synthetically prepared NAPL mixtures as well as NAPL recovery mechanisms for different water-ethanol contents. The effect of contact time was investigated by considering different steady and intermittent flow velocities. A modified version of multiphase flow simulator (UTCHEM) was used to compare the multiphase model simulations with the column experiment results. The effect of employing different grid geometries (1D, 2D, 3D), heterogeneity and different initial NAPL saturation configurations was also examined in the model. It is shown that the change in velocity affects the mass transfer rate between phases as well as the ultimate NAPL recovery percentage. The experiments with low flow rate flushing of pure NAPL and the 3D UTCHEM simulations gave similar effluent concentrations and NAPL cumulative recoveries. Model simulations over-estimated NAPL recovery for high specific discharges and rate-limited mass transfer, suggesting a constant mass transfer coefficient for the entire flushing experiment may not be valid. When multi-component NAPLs are present, the dissolution rate of individual organic compounds (namely, toluene and benzene) into the ethanol-water flushing solution is found not to correlate with their equilibrium solubility values. Copyright © 2012 Elsevier B.V. All rights reserved.

Molecular Interaction Between Salivary Proteins and Food Tannins.

PubMed

Silva, Mafalda Santos; García-Estévez, Ignacio; Brandão, Elsa; Mateus, Nuno; de Freitas, Victor; Soares, Susana

2017-08-09

Polyphenols interaction with salivary proteins (SP) has been related with organoleptic features such as astringency. The aim of this work was to study the interaction between some human SP and tannins through two spectroscopic techniques, fluorescence quenching, and saturation transfer difference-nuclear magnetic resonance (STD-NMR). Generally, the results showed a significant interaction between SP and both condensed tannins and ellagitannins. Herein, STD-NMR proved to be a useful tool to map tannins' epitopes of binding, while fluorescence quenching allowed one to discriminate binding affinities. Ellagitannins showed the greatest binding constants values (K SV from 20.1 to 94.1 mM -1 ; K A from 0.7 to 8.3 mM -1 ) in comparison with procyanidins (K SV from 5.4 to 40.0 mM -1 ; K A from 1.1 to 2.7 mM -1 ). In fact, punicalagin was the tannin that demonstrated the highest affinity for all three SP. Regarding SP, P-B peptide was the one with higher affinity for ellagitannins. On the other hand, cystatins showed in general the lower K SV and K A values. In the case of condensed tannins, statherin was the SP with the highest affinity, contrasting with the other two SP. Altogether, these results are evidence that the distinct SP present in the oral cavity have different abilities to interact with food tannins class.

NMR and molecular modeling of wine tannins binding to saliva proteins: revisiting astringency from molecular and colloidal prospects.

PubMed

Cala, Olivier; Pinaud, Noël; Simon, Cécile; Fouquet, Eric; Laguerre, Michel; Dufourc, Erick J; Pianet, Isabelle

2010-11-01

In organoleptic science, the association of tannins to saliva proteins leads to the poorly understood phenomenon of astringency. To decipher this interaction at molecular and colloidal levels, the binding of 4 procyanidin dimers (B1-4) and 1 trimer (C2) to a human saliva proline-rich peptide, IB7(14), was studied. Interactions have been characterized by measuring dissociation constants, sizes of complexes, number, and nature of binding sites using NMR (chemical shift variations, diffusion-ordered spectroscopy, and saturation transfer diffusion). The binding sites were identified using molecular mechanics, and the hydrophilic/hydrophobic nature of the interactions was resolved by calculating the molecular lipophilicity potential within the complexes. The following comprehensive scheme can be proposed: 1) below the tannin critical micelle concentration (CMC), interaction is specific, and the procyanidin anchorage always occurs on the same three IB7(14) sites. The tannin 3-dimensional structure plays a key role in the binding force and in the tannin's ability to act as a bidentate ligand: tannins adopting an extended conformation exhibit higher affinity toward protein and initiate the formation of a network. 2) Above the CMC, after the first specific hydrophilic interaction has taken place, a random hydrophobic stacking occurs between tannins and proteins. The whole process is discussed in the general frame of wine tannins eliciting astringency.

The effect of clay on the dissolution of nuclear waste glass

NASA Astrophysics Data System (ADS)

Lemmens, K.

2001-09-01

In a nuclear waste repository, the waste glass can interact with metals, backfill materials (if present) and natural host rock. Of the various host rocks considered, clays are often reported to delay the onset of the apparent glass saturation, where the glass dissolution rate becomes very small. This effect is ascribed to the sorption of silica or other glass components on the clay. This can have two consequences: (1) the decrease of the silica concentration in solution increases the driving force for further dissolution of glass silica, and (2) the transfer of relatively insoluble glass components (mainly silica) from the glass surface to the clay makes the alteration layer less protective. In recent literature, the latter explanation has gained credibility. The impact of the environmental materials on the glass surface layers is however not well understood. Although the glass dissolution can initially be enhanced by clay, there are arguments to assume that it will decrease to very low values after a long time. Whether this will indeed be the case, depends on the fate of the released glass components in the clay. If they are sorbed on specific sites, it is likely that saturation of the clay will occur. If however the released glass components are removed by precipitation (growth of pre-existing or new secondary phases), saturation of the clay is less likely, and the process can continue until exhaustion of one of the system components. There are indications that the latter mechanism can occur for varying glass compositions in Boom Clay and FoCa clay. If sorption or precipitation prevents the formation of protective surface layers, the glass dissolution can in principle proceed at a high rate. High silica concentrations are assumed to decrease the dissolution rate (by a solution saturation effect or by the impact on the properties of the glass alteration layer). In glass corrosion tests at high clay concentrations, silica concentrations are, however, often higher than the silica concentrations in equilibrium with the glass surface ( C ∗Si, saturation) that are found in absence of clay. Nevertheless, the glass dissolution proceeds at relatively high rate. C ∗Si, saturation seems to be increased by the presence of clay. To understand this, more knowledge is necessary concerning the fate of the released silica and the silica speciation in solution.

Inhibitory effect of hydroxypropyl methylcellulose acetate succinate on drug recrystallization from a supersaturated solution assessed using nuclear magnetic resonance measurements.

PubMed

Ueda, Keisuke; Higashi, Kenjirou; Yamamoto, Keiji; Moribe, Kunikazu

2013-10-07

We examined the inhibitory effect of hydroxypropyl methylcellulose acetate succinate (HPMC-AS) on drug recrystallization from a supersaturated solution using carbamazepine (CBZ) and phenytoin (PHT) as model drugs. HPMC-AS HF grade (HF) inhibited the recrystallization of CBZ more strongly than that by HPMC-AS LF grade (LF). 1D-1H NMR measurements showed that the molecular mobility of CBZ was clearly suppressed in the HF solution compared to that in the LF solution. Interaction between CBZ and HF in a supersaturated solution was directly detected using nuclear Overhauser effect spectroscopy (NOESY). The cross-peak intensity obtained using NOESY of HF protons with CBZ aromatic protons was greater than that with the amide proton, which indicated that CBZ had hydrophobic interactions with HF in a supersaturated solution. In contrast, no interaction was observed between CBZ and LF in the LF solution. Saturation transfer difference NMR measurement was used to determine the interaction sites between CBZ and HF. Strong interaction with CBZ was observed with the acetyl substituent of HPMC-AS although the interaction with the succinoyl substituent was quite small. The acetyl groups played an important role in the hydrophobic interaction between HF and CBZ. In addition, HF appeared to be more hydrophobic than LF because of the smaller ratio of the succinoyl substituent. This might be responsible for the strong hydrophobic interaction between HF and CBZ. The intermolecular interactions between CBZ and HPMC-AS shown by using NMR spectroscopy clearly explained the strength of inhibition of HPMC-AS on drug recrystallization.

Dependence of shear wave seismoelectrics on soil textures: a numerical study in the vadose zone

NASA Astrophysics Data System (ADS)

Zyserman, F. I.; Monachesi, L. B.; Jouniaux, L.

2017-02-01

In this work, we study seismoelectric conversions generated in the vadose zone, when this region is traversed by a pure SH wave. We assume that the soil is a 1-D partially saturated lossy porous medium and we use the van Genuchten's constitutive model to describe the water saturation profile. Correspondingly, we extend Pride's formulation to deal with partially saturated media. In order to evaluate the influence of different soil textures we perform a numerical analysis considering, among other relevant properties, the electrokinetic coupling, coseismic responses and interface responses (IRs). We propose new analytical transfer functions for the electric and magnetic field as a function of the water saturation, modifying those of Bordes et al. and Garambois & Dietrich, respectively. Further, we introduce two substantially different saturation-dependent functions into the electrokinetic (EK) coupling linking the poroelastic and the electromagnetic wave equations. The numerical results show that the electric field IRs markedly depend on the soil texture and the chosen EK coupling model, and are several orders of magnitude stronger than the electric field coseismic ones. We also found that the IRs of the water table for the silty and clayey soils are stronger than those for the sandy soils, assuming a non-monotonous saturation dependence of the EK coupling, which takes into account the charged air-water interface. These IRs have been interpreted as the result of the jump in the viscous electric current density at the water table. The amplitude of the IR is obtained using a plane SH wave, neglecting both the spherical spreading and the restriction of its origin to the first Fresnel zone, effects that could lower the predicted values. However, we made an estimation of the expected electric field IR amplitudes detectable in the field by means of the analytical transfer functions, accounting for spherical spreading of the SH seismic waves. This prediction yields a value of 15 μV m-1, which is compatible with reported values.

Experiments and simulation of the growth of droplets on a surface (breath figures)

NASA Astrophysics Data System (ADS)

Fritter, Daniela; Knobler, Charles M.; Beysens, Daniel A.

1991-03-01

Detailed experiments are reported of the growth of droplets when water vapor condenses from a saturated carrier gas onto a hydrophobic plane substrate. We have investigated the effects of the carrier-gas flow velocity, the nature of the gas, the experimental geometry, and heat transfer through the substrate. Individual drops grow according to a power law with exponent μ=1/3. At high flow velocities, the temperature of the substrate can rise significantly, which lowers the condensation rate and leads to lower apparent growth-law exponents. A self-similar regime is reached when droplets interact by coalescences. The coalescences continuously rescale the pattern, produce spatial correlations between the droplets, and accelerate the growth, leading to a power law with an exponent μ0=3μ. The experiments are compared to predictions of scaling laws and to simulations.

Excitation of a global plasma mode by an intense electron beam in a dc discharge

DOE PAGES

Sydorenko, D.; Kaganovich, I. D.; Ventzek, P. L. G.; ...

2018-01-01

The interaction of an intense electron beam with a finite-length, inhomogeneous plasma is investigated numerically. The plasma density profile is maximal in the middle and decays towards the plasma edges. Two regimes of the two-stream instability are observed. In one regime, the frequency of the instability is the plasma frequency at the density maximum and plasma waves are excited in the middle of the plasma. In the other regime, the frequency of the instability matches the local plasma frequency near the edges of the plasma and the intense plasma oscillations occur near plasma boundaries. The latter regime appears sporadically andmore » only for strong electron beam currents. This instability generates a copious amount of suprathermal electrons. Finally, the energy transfer to suprathermal electrons is the saturation mechanism of the instability.« less

Excitation of a global plasma mode by an intense electron beam in a dc discharge

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

Sydorenko, D.; Kaganovich, I. D.; Ventzek, P. L. G.

The interaction of an intense electron beam with a finite-length, inhomogeneous plasma is investigated numerically. The plasma density profile is maximal in the middle and decays towards the plasma edges. Two regimes of the two-stream instability are observed. In one regime, the frequency of the instability is the plasma frequency at the density maximum and plasma waves are excited in the middle of the plasma. In the other regime, the frequency of the instability matches the local plasma frequency near the edges of the plasma and the intense plasma oscillations occur near plasma boundaries. The latter regime appears sporadically andmore » only for strong electron beam currents. This instability generates a copious amount of suprathermal electrons. Finally, the energy transfer to suprathermal electrons is the saturation mechanism of the instability.« less

Evaluating the reliability of equilibrium dissolution assumption from residual gasoline in contact with water saturated sands

NASA Astrophysics Data System (ADS)

Lekmine, Greg; Sookhak Lari, Kaveh; Johnston, Colin D.; Bastow, Trevor P.; Rayner, John L.; Davis, Greg B.

2017-01-01

Understanding dissolution dynamics of hazardous compounds from complex gasoline mixtures is a key to long-term predictions of groundwater risks. The aim of this study was to investigate if the local equilibrium assumption for BTEX and TMBs (trimethylbenzenes) dissolution was valid under variable saturation in two dimensional flow conditions and evaluate the impact of local heterogeneities when equilibrium is verified at the scale of investigation. An initial residual gasoline saturation was established over the upper two-thirds of a water saturated sand pack. A constant horizontal pore velocity was maintained and water samples were recovered across 38 sampling ports over 141 days. Inside the residual NAPL zone, BTEX and TMBs dissolution curves were in agreement with the TMVOC model based on the local equilibrium assumption. Results compared to previous numerical studies suggest the presence of small scale dissolution fingering created perpendicular to the horizontal dissolution front, mainly triggered by heterogeneities in the medium structure and the local NAPL residual saturation. In the transition zone, TMVOC was able to represent a range of behaviours exhibited by the data, confirming equilibrium or near-equilibrium dissolution at the scale of investigation. The model locally showed discrepancies with the most soluble compounds, i.e. benzene and toluene, due to local heterogeneities exhibiting that at lower scale flow bypassing and channelling may have occurred. In these conditions mass transfer rates were still high enough to fall under the equilibrium assumption in TMVOC at the scale of investigation. Comparisons with other models involving upscaled mass transfer rates demonstrated that such approximations with TMVOC could lead to overestimate BTEX dissolution rates and underestimate the total remediation time.

Evaluating the reliability of equilibrium dissolution assumption from residual gasoline in contact with water saturated sands.

PubMed

Lekmine, Greg; Sookhak Lari, Kaveh; Johnston, Colin D; Bastow, Trevor P; Rayner, John L; Davis, Greg B

2017-01-01

Understanding dissolution dynamics of hazardous compounds from complex gasoline mixtures is a key to long-term predictions of groundwater risks. The aim of this study was to investigate if the local equilibrium assumption for BTEX and TMBs (trimethylbenzenes) dissolution was valid under variable saturation in two dimensional flow conditions and evaluate the impact of local heterogeneities when equilibrium is verified at the scale of investigation. An initial residual gasoline saturation was established over the upper two-thirds of a water saturated sand pack. A constant horizontal pore velocity was maintained and water samples were recovered across 38 sampling ports over 141days. Inside the residual NAPL zone, BTEX and TMBs dissolution curves were in agreement with the TMVOC model based on the local equilibrium assumption. Results compared to previous numerical studies suggest the presence of small scale dissolution fingering created perpendicular to the horizontal dissolution front, mainly triggered by heterogeneities in the medium structure and the local NAPL residual saturation. In the transition zone, TMVOC was able to represent a range of behaviours exhibited by the data, confirming equilibrium or near-equilibrium dissolution at the scale of investigation. The model locally showed discrepancies with the most soluble compounds, i.e. benzene and toluene, due to local heterogeneities exhibiting that at lower scale flow bypassing and channelling may have occurred. In these conditions mass transfer rates were still high enough to fall under the equilibrium assumption in TMVOC at the scale of investigation. Comparisons with other models involving upscaled mass transfer rates demonstrated that such approximations with TMVOC could lead to overestimate BTEX dissolution rates and underestimate the total remediation time. Copyright © 2016. Published by Elsevier B.V.

Transport of viruses through saturated and unsaturated columns packed with sand

USGS Publications Warehouse

Anders, R.; Chrysikopoulos, C.V.

2009-01-01

Laboratory-scale virus transport experiments were conducted in columns packed with sand under saturated and unsaturated conditions. The viruses employed were the male-specific RNA coliphage, MS2, and the Salmonella typhimurium phage, PRD1. The mathematical model developed by Sim and Chrysikopoulos (Water Resour Res 36:173-179, 2000) that accounts for processes responsible for removal of viruses during vertical transport in one-dimensional, unsaturated porous media was used to fit the data collected from the laboratory experiments. The liquid to liquid-solid and liquid to air-liquid interface mass transfer rate coefficients were shown to increase for both bacteriophage as saturation levels were reduced. The experimental results indicate that even for unfavorable attachment conditions within a sand column (e.g., phosphate-buffered saline solution; pH = 7.5; ionic strength = 2 mM), saturation levels can affect virus transport through porous media. ?? Springer Science+Business Media B.V. 2008.

Increasing Saturated Electron-Drift Velocity in Donor-Acceptor Doped pHEMT Heterostructures

NASA Astrophysics Data System (ADS)

Protasov, D. Yu.; Gulyaev, D. V.; Bakarov, A. K.; Toropov, A. I.; Erofeev, E. V.; Zhuravlev, K. S.

2018-03-01

Field dependences of the electron-drift velocity in typical pseudomorphic high-electron-mobility transistor (pHEMT) heteroepitaxial structures (HESs) and in those with donor-acceptor doped (DApHEMT) heterostructures with quantum-well (QW) depth increased by 0.8-0.9 eV with the aid of acceptor layers have been studied by a pulsed technique. It is established that the saturated electron-drift velocity in DA-pHEMT-HESs is 1.2-1.3 times greater than that in the usual pHEMT-HESs. The electroluminescence (EL) spectra of DA-pHEMT-HESs do not contain emission bands related to the recombination in widebandgap layers (QW barriers). The EL intensity in these HESs is not saturated with increasing electric field. This is indicative of a suppressed real-space transfer of hot electrons from QW to barrier layers, which accounts for the observed increase in the saturated electron-drift velocity.

Growth but Not Photosynthesis Response of a Host Plant to Infection by a Holoparasitic Plant Depends on Nitrogen Supply

PubMed Central

Shen, Hao; Xu, Shu-Jun; Hong, Lan; Wang, Zhang-Ming; Ye, Wan-Hui

2013-01-01

Parasitic plants can adversely influence the growth of their hosts by removing resources and by affecting photosynthesis. Such negative effects depend on resource availability. However, at varied resource levels, to what extent the negative effects on growth are attributed to the effects on photosynthesis has not been well elucidated. Here, we examined the influence of nitrogen supply on the growth and photosynthesis responses of the host plant Mikania micrantha to infection by the holoparasite Cuscuta campestris by focusing on the interaction of nitrogen and infection. Mikania micrantha plants fertilized at 0.2, 1 and 5 mM nitrate were grown with and without C. campestris infection. We observed that the infection significantly reduced M. micrantha growth at each nitrate fertilization and more severely at low than at high nitrate. Such alleviation at high nitrate was largely attributed to a stronger influence of infection on root biomass at low than at high nitrate fertilization. However, although C. campestris altered allometry and inhibited host photosynthesis, the magnitude of the effects was independent of nitrate fertilizations. The infection reduced light saturation point, net photosynthesis at saturating irradiances, apparent quantum yield, CO2 saturated rate of photosynthesis, carboxylation efficiency, the maximum carboxylation rate of Rubisco, and maximum light-saturated rate of electron transport, and increased light compensation point in host leaves similarly across nitrate levels, corresponding to a similar magnitude of negative effects of the parasite on host leaf soluble protein and Rubisco concentrations, photosynthetic nitrogen use efficiency and stomatal conductance across nitrate concentrations. Thus, the more severe inhibition in host growth at low than at high nitrate supplies cannot be attributed to a greater parasite-induced reduction in host photosynthesis, but the result of a higher proportion of host resources transferred to the parasite at low than at high nitrate levels. PMID:24116055

ELECTROCHEMICAL DEGRADATION OF POLYCHLOROBIPHENYLS

EPA Science Inventory

Granular graphite is an ideal conductive material for electrochemical reduction technology applications in the field. Granular graphite was used to enhance the transfer of chlorinated aliphatic compounds in saturated, low permeability soils by electroosmosis. It was also used to ...

Combined effects of heat and mass transfer to magneto hydrodynamics oscillatory dusty fluid flow in a porous channel

NASA Astrophysics Data System (ADS)

Govindarajan, A.; Vijayalakshmi, R.; Ramamurthy, V.

2018-04-01

The main aim of this article is to study the combined effects of heat and mass transfer to radiative Magneto Hydro Dynamics (MHD) oscillatory optically thin dusty fluid in a saturated porous medium channel. Based on certain assumptions, the momentum, energy, concentration equations are obtained.The governing equations are non-dimensionalised, simplified and solved analytically. The closed analytical form solutions for velocity, temperature, concentration profiles are obtained. Numerical computations are presented graphically to show the salient features of various physical parameters. The shear stress, the rate of heat transfer and the rate of mass transfer are also presented graphically.

Energy transfer in light-adapted photosynthetic membranes: from active to saturated photosynthesis.

PubMed

Fassioli, Francesca; Olaya-Castro, Alexandra; Scheuring, Simon; Sturgis, James N; Johnson, Neil F

2009-11-04

In bacterial photosynthesis light-harvesting complexes, LH2 and LH1 absorb sunlight energy and deliver it to reaction centers (RCs) with extraordinarily high efficiency. Submolecular resolution images have revealed that both the LH2:LH1 ratio, and the architecture of the photosynthetic membrane itself, adapt to light intensity. We investigate the functional implications of structural adaptations in the energy transfer performance in natural in vivo low- and high-light-adapted membrane architectures of Rhodospirillum photometricum. A model is presented to describe excitation migration across the full range of light intensities that cover states from active photosynthesis, where all RCs are available for charge separation, to saturated photosynthesis where all RCs are unavailable. Our study outlines three key findings. First, there is a critical light-energy density, below which the low-light adapted membrane is more efficient at absorbing photons and generating a charge separation at RCs, than the high-light-adapted membrane. Second, connectivity of core complexes is similar in both membranes, suggesting that, despite different growth conditions, a preferred transfer pathway is through core-core contacts. Third, there may be minimal subareas on the membrane which, containing the same LH2:LH1 ratio, behave as minimal functional units as far as excitation transfer efficiency is concerned.

Laboratory-Measured and Property-Transfer Modeled Saturated Hydraulic Conductivity of Snake River Plain Aquifer Sediments at the Idaho National Laboratory, Idaho

USGS Publications Warehouse

Perkins, Kim S.

2008-01-01

Sediments are believed to comprise as much as 50 percent of the Snake River Plain aquifer thickness in some locations within the Idaho National Laboratory. However, the hydraulic properties of these deep sediments have not been well characterized and they are not represented explicitly in the current conceptual model of subregional scale ground-water flow. The purpose of this study is to evaluate the nature of the sedimentary material within the aquifer and to test the applicability of a site-specific property-transfer model developed for the sedimentary interbeds of the unsaturated zone. Saturated hydraulic conductivity (Ksat) was measured for 10 core samples from sedimentary interbeds within the Snake River Plain aquifer and also estimated using the property-transfer model. The property-transfer model for predicting Ksat was previously developed using a multiple linear-regression technique with bulk physical-property measurements (bulk density [pbulk], the median particle diameter, and the uniformity coefficient) as the explanatory variables. The model systematically underestimates Ksat,typically by about a factor of 10, which likely is due to higher bulk-density values for the aquifer samples compared to the samples from the unsaturated zone upon which the model was developed. Linear relations between the logarithm of Ksat and pbulk also were explored for comparison.

Recent developments and applications of saturation transfer difference nuclear magnetic resonance (STD NMR) spectroscopy.

PubMed

Wagstaff, Jane L; Taylor, Samantha L; Howard, Mark J

2013-04-05

This review aims to illustrate that STD NMR is not simply a method for drug screening and discovery, but has qualitative and quantitative applications that can answer fundamental and applied biological and biomedical questions involving molecular interactions between ligands and proteins. We begin with a basic introduction to the technique of STD NMR and report on recent advances and biological applications of STD including studies to follow the interactions of non-steroidal anti-inflammatories, minimum binding requirements for virus infection and understating inhibition of amyloid fibre formation. We expand on this introduction by reporting recent STD NMR studies of live-cell receptor systems, new methodologies using scanning STD, magic-angle spinning STD and approaches to use STD NMR in a quantitative fashion for dissociation constants and group epitope mapping (GEM) determination. We finish by outlining new approaches that have potential to influence future applications of the technique; NMR isotope-editing, heteronuclear multidimensional STD and (19)F STD methods that are becoming more amenable due to the latest NMR equipment technologies.

Criteria for significance of simultaneous presence of both condensible vapors and aerosol particles on mass transfer (deposition) rates

NASA Technical Reports Server (NTRS)

Gokoglu, S. A.

1987-01-01

The simultaneous presence of aerosol particles and condensible vapors in a saturated boundary layer which may affect deposition rates to subcooled surfaces because of vapor-particle interactions is discussed. Scavenging of condensible vapors by aerosol particles may lead to increased particle size and decreased vapor mass fraction, which alters both vapor and particle deposition rates. Particles, if sufficiently concentrated, may also coagulate. Criteria are provided to assess the significance of such phenomena when particles are already present in the mainstream and are not created inside the boundary layer via homogeneous nucleation. It is determined that there is direct proportionality with: (1) the mass concentration of both condensible vapors and aerosol particles; and (2) the square of the boundary layer thickness to particle diameter ratio (delta d sub p) square. Inverse proportionality was found for mainstream to surface temperature difference if thermophoresis dominates particle transport. It is concluded that the square of the boundary layer thickness to particle diameter ratio is the most critical factor to consider in deciding when to neglect vapor-particle interactions.

Criteria for significance of simultaneous presence of both condensible vapors and aerosol particles on mass transfer (deposition) rates

NASA Technical Reports Server (NTRS)

Gokoglu, S. A.

1986-01-01

The simultaneous presence of aerosol particles and condensible vapors in a saturated boundary layer which may affect deposition rates to subcooled surfaces because of vapor-particle interactions is discussed. Scavenging of condensible vapors by aerosol particles may lead to increased particle size and decreased vapor mass fraction, which alters both vapor and particle deposition rates. Particles, if sufficiently concentrated, may also coagulate. Criteria are provided to assess the significance of such phenomena when particles are already present in the mainstream and are not created inside the boundary layer via homogeneous nucleation. It is determined that there is direct proportionality with: (1) the mass concentration of both condensible vapors and aerosol particles; and (2) the square of the boundary layer thickness to particle diameter ratio (delta d sub p) square. Inverse proportionality was found for mainstream to surface temperature difference if thermophoresis dominates particle transport. It is concluded that the square of the boundary layer thickness to particle diameter ratio is the most critical factor to consider in deciding when to neglect vapor-particle interactions.

Effects of saturation and contrast polarity on the figure-ground organization of color on gray.

PubMed

Dresp-Langley, Birgitta; Reeves, Adam

2014-01-01

Poorly saturated colors are closer to a pure gray than strongly saturated ones and, therefore, appear less "colorful."Color saturation is effectively manipulated in the visual arts for balancing conflicting sensations and moods and for inducing the perception of relative distance in the pictorial plane. While perceptual science has proven quite clearly that the luminance contrast of any hue acts as a self-sufficient cue to relative depth in visual images, the role of color saturation in such figure-ground organization has remained unclear. We presented configurations of colored inducers on gray "test" backgrounds to human observers. Luminance and saturation of the inducers was uniform on each trial, but varied across trials. We ran two separate experimental tasks. In the relative background brightness task, perceptual judgments indicated whether the apparent brightness of the gray test background contrasted with, assimilated to, or appeared equal (no effect) to that of a comparison background with the same luminance contrast. Contrast polarity and its interaction with color saturation affected response proportions for contrast, assimilation and no effect. In the figure-ground task, perceptual judgments indicated whether the inducers appeared to lie in front of, behind, or in the same depth with the background. Strongly saturated inducers produced significantly larger proportions of foreground effects indicating that these inducers stand out as figure against the background. Weakly saturated inducers produced significantly larger proportions of background effects, indicating that these inducers are perceived as lying behind the backgrounds. We infer that color saturation modulates figure-ground organization, both directly by determining relative inducer depth, and indirectly, and in interaction with contrast polarity, by affecting apparent background brightness. The results point toward a hitherto undocumented functional role of color saturation in the genesis of form, and in particular figure-ground percepts in the absence of chromatostereopsis.

Effects of saturation and contrast polarity on the figure-ground organization of color on gray

PubMed Central

Dresp-Langley, Birgitta; Reeves, Adam

2014-01-01

Poorly saturated colors are closer to a pure gray than strongly saturated ones and, therefore, appear less “colorful.”Color saturation is effectively manipulated in the visual arts for balancing conflicting sensations and moods and for inducing the perception of relative distance in the pictorial plane. While perceptual science has proven quite clearly that the luminance contrast of any hue acts as a self-sufficient cue to relative depth in visual images, the role of color saturation in such figure-ground organization has remained unclear. We presented configurations of colored inducers on gray “test” backgrounds to human observers. Luminance and saturation of the inducers was uniform on each trial, but varied across trials. We ran two separate experimental tasks. In the relative background brightness task, perceptual judgments indicated whether the apparent brightness of the gray test background contrasted with, assimilated to, or appeared equal (no effect) to that of a comparison background with the same luminance contrast. Contrast polarity and its interaction with color saturation affected response proportions for contrast, assimilation and no effect. In the figure-ground task, perceptual judgments indicated whether the inducers appeared to lie in front of, behind, or in the same depth with the background. Strongly saturated inducers produced significantly larger proportions of foreground effects indicating that these inducers stand out as figure against the background. Weakly saturated inducers produced significantly larger proportions of background effects, indicating that these inducers are perceived as lying behind the backgrounds. We infer that color saturation modulates figure-ground organization, both directly by determining relative inducer depth, and indirectly, and in interaction with contrast polarity, by affecting apparent background brightness. The results point toward a hitherto undocumented functional role of color saturation in the genesis of form, and in particular figure-ground percepts in the absence of chromatostereopsis. PMID:25339931

Rapid and quantitative chemical exchange saturation transfer (CEST) imaging with magnetic resonance fingerprinting (MRF).

PubMed

Cohen, Ouri; Huang, Shuning; McMahon, Michael T; Rosen, Matthew S; Farrar, Christian T

2018-05-13

To develop a fast magnetic resonance fingerprinting (MRF) method for quantitative chemical exchange saturation transfer (CEST) imaging. We implemented a CEST-MRF method to quantify the chemical exchange rate and volume fraction of the N α -amine protons of L-arginine (L-Arg) phantoms and the amide and semi-solid exchangeable protons of in vivo rat brain tissue. L-Arg phantoms were made with different concentrations (25-100 mM) and pH (pH 4-6). The MRF acquisition schedule varied the saturation power randomly for 30 iterations (phantom: 0-6 μT; in vivo: 0-4 μT) with a total acquisition time of ≤2 min. The signal trajectories were pattern-matched to a large dictionary of signal trajectories simulated using the Bloch-McConnell equations for different combinations of exchange rate, exchangeable proton volume fraction, and water T 1 and T 2 relaxation times. The chemical exchange rates of the N α -amine protons of L-Arg were significantly (P < 0.0001) correlated with the rates measured with the quantitation of exchange using saturation power method. Similarly, the L-Arg concentrations determined using MRF were significantly (P < 0.0001) correlated with the known concentrations. The pH dependence of the exchange rate was well fit (R 2  = 0.9186) by a base catalyzed exchange model. The amide proton exchange rate measured in rat brain cortex (34.8 ± 11.7 Hz) was in good agreement with that measured previously with the water exchange spectroscopy method (28.6 ± 7.4 Hz). The semi-solid proton volume fraction was elevated in white (12.2 ± 1.7%) compared to gray (8.1 ± 1.1%) matter brain regions in agreement with previous magnetization transfer studies. CEST-MRF provides a method for fast, quantitative CEST imaging. © 2018 International Society for Magnetic Resonance in Medicine.

Nuts and Bolts of CEST MR imaging

PubMed Central

Liu, Guanshu; Song, Xiaolei; Chan, Kannie W.Y.

2013-01-01

Chemical Exchange Saturation Transfer (CEST) has emerged as a novel MRI contrast mechanism that is well suited for molecular imaging studies. This new mechanism can be used to detect small amounts of contrast agent through saturation of rapidly exchanging protons on these agents, allowing a wide range of applications. CEST technology has a number of indispensable features, such as the possibility of simultaneous detection of multiple “colors” of agents and detecting changes in their environment (e.g. pH, metabolites, etc) through MR contrast. Currently a large number of new imaging schemes and techniques have been developed to improve the temporal resolution and specificity and to correct the influence of B0 and B1 inhomogeneities. In this review, the techniques developed over the last decade have been summarized with the different imaging strategies and post-processing methods discussed from a practical point of view including describing their relative merits for detecting CEST agents. The goal of the present work is to provide the reader with a fundamental understanding of the techniques developed, and to provide guidance to help refine future applications of this technology. This review is organized into three main sections: Basics of CEST Contrast, Implementation, Post-Processing, and also includes a brief Introduction section and Summary. The Basics of CEST Contrast section contains a description of the relevant background theory for saturation transfer and frequency labeled transfer, and a brief discussion of methods to determine exchange rates. The Implementation section contains a description of the practical considerations in conducting CEST MRI studies, including choice of magnetic field, pulse sequence, saturation pulse, imaging scheme, and strategies to separate MT and CEST. The Post-Processing section contains a description of the typical image processing employed for B0/B1 correction, Z-spectral interpolation, frequency selective detection, and improving CEST contrast maps. PMID:23303716

High-resolution maps of magnetization transfer with inherent correction for RF inhomogeneity and T1 relaxation obtained from 3D FLASH MRI.

PubMed

Helms, Gunther; Dathe, Henning; Kallenberg, Kai; Dechent, Peter

2008-12-01

An empirical equation for the magnetization transfer (MT) FLASH signal is derived by analogy to dual-excitation FLASH, introducing a novel semiquantitative parameter for MT, the percentage saturation imposed by one MT pulse during TR. This parameter is obtained by a linear transformation of the inverse signal, using two reference experiments of proton density and T(1) weighting. The influence of sequence parameters on the MT saturation was studied. An 8.5-min protocol for brain imaging at 3 T was based on nonselective sagittal 3D-FLASH at 1.25 mm isotropic resolution using partial acquisition techniques (TR/TE/alpha = 25ms/4.9ms/5 degrees or 11ms/4.9ms/15 degrees for the T(1) reference). A 12.8 ms Gaussian MT pulse was applied 2.2 kHz off-resonance with 540 degrees flip angle. The MT saturation maps showed an excellent contrast in the brain due to clearly separated distributions for white and gray matter and cerebrospinal fluid. Within the limits of the approximation (excitation <15 degrees , TR/T(1) less sign 1) the MT term depends mainly on TR, the energy and offset of the MT pulse, but hardly on excitation and T(1) relaxation. It is inherently compensated for inhomogeneities of receive and transmit RF fields. The MT saturation appeared to be a sensitive parameter to depict MS lesions and alterations of normal-appearing white matter. (c) 2008 Wiley-Liss, Inc.

Red emission enhancement from CaMoO4:Eu3+ by co-doping of Bi3+ for near UV/blue LED pumped white pcLEDs: Energy transfer studies

NASA Astrophysics Data System (ADS)

Wangkhem, Ranjoy; Yaba, Takhe; Shanta Singh, N.; Ningthoujam, R. S.

2018-03-01

CaMoO4:Eu3+ (3 at. %)/Bi3+ (x at. %) nanophosphors were synthesized hydrothermally. All the samples can be excited by 280, 320, 393, and 464 nm (blue) wavelengths for generation of red color emission. Enhancement in 5D0 → 7F2 (615 nm) emission (f-f transition) of Eu3+ is observed when Bi3+ is incorporated in CaMoO4:Eu3+. This is due to the efficient energy transfer from Bi3+ to Eu3+ ions. Introduction of Bi3+ in the system does not lead to the change of emission wavelength of Eu3+. However, Bi3+ incorporation in the system induces a shift in Mo-O charge transfer band absorption from 295 to 270 nm. This may be due to the increase in electronegativity between Mo and O bond in the presence of Bi3+ leading to change in crystal field environment of Mo6+ in MoO42-. At the optimal concentration of Bi3+, an enhancement in emission by a factor of ˜10 and 4.2 in the respective excitation at 393 (7F0 → 5L6) and 464 nm (7F0 → 5D2) is observed. The energy transfer efficiency from Bi3+ to Eu3+ increases from 75% to 96%. The energy transfer is observed to occur mainly via dipole-dipole interactions. Maximum quantum yield value of 55% is observed from annealed CaMoO4:Eu3+ (3 at. %) when sensitized with Bi3+ (15 at. %) under 464 nm excitation. From Commission International de I'Eclairage chromaticity coordinates, the color (red) saturation is observed to be nearly 100%.

Dissipative Dynamics with Exotic Beams

NASA Astrophysics Data System (ADS)

di Toro, M.; Colonna, M.; Greco, V.; Ferini, G.; Rizzo, C.; Rizzo, J.; Baran, V.; Wolter, H. H.; Zielinska-Pfabe, M.

2008-04-01

Heavy Ion Collisions (HIC) represent a unique tool to probe the in-medium nuclear interaction in regions away from saturation and at high nucleon momenta. In this report we present a selection of reaction observables particularly sensitive to the isovector part of the interaction, i.e. to the symmetry term of the nuclear Equation of State (EoS) At low and Fermi energies the behavior of the symmetry energy around saturation influences dissipation and fragment production mechanisms. Predictions are shown for fusion, deep-inelastic and fragmentation collisions induced by neutron rich projectiles. At all energies the isospin transport data are supplying valuable information on value and slope of the symmetry term below saturation. The importance of studying violent collisions with radioactive beams in this energy range is finally stressed.

Experimental investigation of the stimulated Brillouin scattering growth and saturation at 526 and 351 nm for direct drive and shock ignition

NASA Astrophysics Data System (ADS)

Depierreux, S.; Loiseau, P.; Michel, D. T.; Tassin, V.; Stenz, C.; Masson-Laborde, P.-E.; Goyon, C.; Yahia, V.; Labaune, C.

2012-01-01

We have designed experiments to study the effect of the laser wavelength (0.527 versus 0.351 μm) on the coupling efficiency in plasma conditions relevant to compression and shock ignition (SI) schemes in different intensity regimes. A difficult issue was to produce interaction conditions that are equivalent for the two wavelengths. This was obtained by using plasma preformed from a solid target with a plasma-preforming beam at the same wavelength as the interaction beam. This produced an almost exponential density profile from vacuum to the critical density of the interaction beam in which all interaction mechanisms are taken into account. The growth and saturation of stimulated Brillouin scattering (SBS) have been measured at the two wavelengths, in backward as well as in near-backward directions. We have found that the SBS intensity threshold is ˜1.5 times higher at 3ω than at 2ω in agreement with the Iλ dependence of the SBS gain. The SBS behaviour is very well reproduced by the linear calculations of the postprocessor PIRANAH, giving us confidence that we have a good control of the relevance of the experimental conditions for the study of the laser wavelength effect on laser-plasma coupling. When SBS reaches the saturation regime, same levels of reflectivity are measured at 2 and 3ω. Numerical simulations were performed with the paraxial code HERA to study the contribution of the fluid mechanisms in the saturation of SBS, showing that pump depletion and interplay with filamentation are likely to be the most important processes in SBS saturation for these conditions. This scenario also applies to the SBS of shock ignition high-intensity beams.

Twisted intramolecular charge transfer investigation of semi organic L-Glutamic acid hydrochloride single crystal for organic light-emitting and optical limiting applications

NASA Astrophysics Data System (ADS)

Joy, Lija K.; George, Merin; Alex, Javeesh; Aravind, Arun; Sajan, D.; Vinitha, G.

2018-03-01

Single crystals of L-Glutamic acid hydrochloride (LGHCl) were grown by slow evaporation solution technique and good crystalline perfection was confirmed by Powder X-ray diffraction studies. The complete vibrational studies of the compound were analyzed by FT-IR, FT-Raman and UV-visible spectra combined with Normal Coordinate Analysis (NCA) following the scaled quantum mechanical force field methodology and density functional theory (DFT). Twisted Intramolecular Charge Transfer (ICT) occurs due to the presence of strong ionic intra-molecular Nsbnd H⋯O hydrogen bonding was confirmed by Hirshfeld Surface analysis. The existence of intermolecular Nsbnd H⋯Cl hydrogen bonds due to the interaction between the lone pair of oxygen with the antibonding orbital was established by NBO analysis. The Z-scan result indicated that the title molecule exhibits saturable absorption behavior. The attractive third-order nonlinear properties suggest that LGHCl can be a promising candidate for the design and development devices for optical limiting applications. LGHCL exhibits distinct emission in the blue region of the fluorescence lifetime which proves to be a potential candidate for blue- Organic light-emitting diodes (OLEDs) fabrication.

Heat transfer degradation during condensation of non-azeotropic mixtures

NASA Astrophysics Data System (ADS)

Azzolin, M.; Berto, A.; Bortolin, S.; Del, D., Col

2017-11-01

International organizations call for a reduction of the HFCs production and utilizations in the next years. Binary or ternary blends of hydroflourocarbons (HFCs) and hydrofluoroolefins (HFOs) are emerging as possible substitutes for high Global Warming Potential (GWP) fluids currently employed in some refrigeration and air-conditioning applications. In some cases, these mixtures are non-azeotropic and thus, during phase-change at constant pressure, they present a temperature glide that, for some blends, can be higher than 10 K. Such temperature variation during phase change could lead to a better matching between the refrigerant and the water temperature profiles in a condenser, thus reducing the exergy losses associated with the heat transfer process. Nevertheless, the additional mass transfer resistance which occurs during the phase change of zeotropic mixtures leads to a heat transfer degradation. Therefore, the design of a condenser working with a zeotropic mixture poses the problem of how to extend the correlations developed for pure fluids to the case of condensation of mixtures. Experimental data taken are very helpful in the assessment of design procedures. In the present paper, heat transfer coefficients have been measured during condensation of zeotropic mixtures of HFC and HFO fluids. Tests have been carried out in the test rig available at the Two Phase Heat Transfer Lab of University of Padova. During the condensation tests, the heat is subtracted from the mixture by using cold water and the heat transfer coefficient is obtained from the measurement of the heat flux on the water side, the direct measurements of the wall temperature and saturation temperature. Tests have been performed at 40°C mean saturation temperature. The present experimental database is used to assess predictive correlations for condensation of mixtures, providing valuable information on the applicability of available models.

Direct detection of ligand binding to Sepharose-immobilised protein using saturation transfer double difference (STDD) NMR spectroscopy

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

Haselhorst, Thomas; Muenster-Kuehnel, Anja K.; Oschlies, Melanie

2007-08-10

We report an easy and direct application of 'Saturation Transfer Double Difference' (STDD) NMR spectroscopy to identify ligands that bind to a Sepharose-immobilised target protein. The model protein, cytidine 5'-monophosphate sialic acid (CMP-Sia) synthetase, was expressed as a Strep-Tag II fusion protein and immobilised on Strep-Tactin Sepharose. STD NMR experiments of the protein-enriched Sepharose matrix in the presence of a binding ligand (cytidine 5'-triphosphate, CTP) and a non-binding ligand ({alpha}/{beta}-glucose) clearly show that CTP binds to the immobilised enzyme, whereas glucose has no affinity. This approach has three major advantages: (a) only low quantities of protein are required, (b) nomore » specialised NMR technology or the application of additional data analysis by non-routine methods is required, and (c) easy multiple use of the immobilised protein is available.« less

Mechanism of silver-mediated di-tert-butylsilylene transfer from a silacyclopropane to an alkene.

PubMed

Driver, Tom G; Woerpel, K A

2004-08-18

Kinetic studies of the reactions of cyclohexene silacyclopropane 1 and monosubstituted alkenes in the presence of 5 mol % of (Ph3P)2AgOTf suggested a possible mechanism for silver-mediated di-tert-butylsilylene transfer. The kinetic order in cyclohexene silacyclopropane 1 was determined to be one. Inverse kinetic saturation behavior (rate inhibition) was observed in monosubstituted alkene and cyclohexene concentrations. Saturation kinetic behavior in catalyst concentration was observed. A reactive intermediate, a silylsilver complex, was observed using low temperature 29Si NMR spectroscopy. Competition experiments between substituted styrenes and a deficient amount of 1 correlated well with the Hammett equation and provided a rho value of -0.62 +/- 0.02 using sigmap constants. These data support a mechanism involving reversible silver-promoted di-tert-butylsilylene extrusion from 1 followed by irreversible concerted electrophilic attack of the silylsilver intermediate on the alkene.

Chemical exchange rotation transfer (CERT) on human brain at 3 Tesla.

PubMed

Lin, Eugene C; Li, Hua; Zu, Zhongliang; Louie, Elizabeth A; Lankford, Christopher L; Dortch, Richard D; Does, Mark D; Gore, John C; Gochberg, Daniel F

2018-05-25

To test the ability of a novel pulse sequence applied in vivo at 3 Tesla to separate the contributions to the water signal from amide proton transfer (APT) and relayed nuclear Overhauser enhancement (rNOE) from background direct water saturation and semisolid magnetization transfer (MT). The lack of such signal source isolation has confounded conventional chemical exchange saturation transfer (CEST) imaging. We quantified APT and rNOE signals using a chemical exchange rotation transfer (CERT) metric, MTR double . A range of duty cycles and average irradiation powers were applied, and results were compared with conventional CEST analyses using asymmetry (MTR asym ) and extrapolated magnetization transfer (EMR). Our results indicate that MTR double is more specific than MTR asym and, because it requires as few as 3 data points, is more rapid than methods requiring a complete Z-spectrum, such as EMR. In white matter, APT (1.5 ± 0.5%) and rNOE (2.1 ± 0.7%) were quantified by using MTR double with a 30% duty cycle and a 0.5-µT average power. In addition, our results suggest that MTR double is insensitive to B 0 inhomogeneity, further magnifying its speed advantage over CEST metrics that require a separate B 0 measurement. However, MTR double still has nontrivial sensitivity to B 1 inhomogeneities. We demonstrated that MTR double is an alternative metric to evaluate APT and rNOE, which is fast, robust to B 0 inhomogeneity, and easy to process. © 2018 International Society for Magnetic Resonance in Medicine.

Apolipoprotein A-II polymorphism: relationships to behavioural and hormonal mediators of obesity

PubMed Central

Smith, CE; Ordovás, JM; Sánchez-Moreno, C; Lee, Y-C; Garaulet, M

2011-01-01

Background The interaction between apolipoprotein A-II (APOA2) m265 genotype and saturated fat for obesity traits has been more extensively demonstrated than for any other locus, but behavioural and hormonal mechanisms underlying this relationship are unexplored. In this study, we evaluated relationships between APOA2 and obesity risk with particular focus on patterns of eating and ghrelin, a hormonal regulator of food intake. Design Cross-sectional study. Subjects Overweight and obese subjects (n = 1225) were evaluated at baseline in five weight loss clinics in southeastern Spain. Methods Behavioural data were assessed using a checklist of weight loss obstacles. Logistic regression models were fitted to estimate the risk of a specific behaviour associated with APOA2 genotype. Relationships between APOA2 genotype and saturated fat intakes for anthropometric traits and plasma ghrelin were evaluated by analysis of variance. To construct categorical variables to evaluate interactions, saturated fat intake was dichotomized into high and low according to the population median intake or as tertiles. Results Homozygous minor (CC) subjects were more likely to exhibit behaviours that impede weight loss (‘Do you skip meals’, odds ratio (OR) = 2.09, P=0.008) and less likely to exhibit the protective behaviour of ‘Do you plan meals in advance’ (OR = 0.64, P=0.034). Plasma ghrelin for CC subjects consuming low saturated fat was lower compared with (1) CC subjects consuming high saturated fat, (2) TT + TC carriers consuming low saturated fat and (3) TT+TC carriers consuming high saturated fat (all P<0.05). Conclusions APOA2 m265 genotype may be associated with eating behaviours and dietary modulation of plasma ghrelin. Expansion of knowledge of APOA2 and obesity to include modulation of specific behaviours and hormonal mediators not only broadens understanding of gene–diet interactions, but also facilitates the pragmatic, future goal of developing dietary guidelines based on genotype. PMID:21386805

Apolipoprotein A-II polymorphism: relationships to behavioural and hormonal mediators of obesity.

PubMed

Smith, C E; Ordovás, J M; Sánchez-Moreno, C; Lee, Y-C; Garaulet, M

2012-01-01

The interaction between apolipoprotein A-II (APOA2) m265 genotype and saturated fat for obesity traits has been more extensively demonstrated than for any other locus, but behavioural and hormonal mechanisms underlying this relationship are unexplored. In this study, we evaluated relationships between APOA2 and obesity risk with particular focus on patterns of eating and ghrelin, a hormonal regulator of food intake. Cross-sectional study. Overweight and obese subjects (n=1225) were evaluated at baseline in five weight loss clinics in southeastern Spain. Behavioural data were assessed using a checklist of weight loss obstacles. Logistic regression models were fitted to estimate the risk of a specific behaviour associated with APOA2 genotype. Relationships between APOA2 genotype and saturated fat intakes for anthropometric traits and plasma ghrelin were evaluated by analysis of variance. To construct categorical variables to evaluate interactions, saturated fat intake was dichotomized into high and low according to the population median intake or as tertiles. Homozygous minor (CC) subjects were more likely to exhibit behaviours that impede weight loss ('Do you skip meals', odds ratio (OR)=2.09, P=0.008) and less likely to exhibit the protective behaviour of 'Do you plan meals in advance' (OR=0.64, P=0.034). Plasma ghrelin for CC subjects consuming low saturated fat was lower compared with (1) CC subjects consuming high saturated fat, (2) TT+TC carriers consuming low saturated fat and (3) TT+TC carriers consuming high saturated fat (all P<0.05). APOA2 m265 genotype may be associated with eating behaviours and dietary modulation of plasma ghrelin. Expansion of knowledge of APOA2 and obesity to include modulation of specific behaviours and hormonal mediators not only broadens understanding of gene-diet interactions, but also facilitates the pragmatic, future goal of developing dietary guidelines based on genotype.

APOA2 -256T>C polymorphism interacts with saturated fatty acids intake to affect anthropometric and hormonal variables in type 2 diabetic patients.

PubMed

Basiri, Marjan Ghane; Sotoudeh, Gity; Alvandi, Ehsan; Djalali, Mahmood; Eshraghian, Mohammad Reza; Noorshahi, Neda; Koohdani, Fariba

2015-05-01

Recent studies have established the interaction between APOA2 -256T>C polymorphism and dietary saturated fatty acids intake in relation to obesity on healthy individuals. In the current study, we investigate the effects of this interaction on anthropometric variables and serum levels of leptin and ghrelin in patients with type 2 diabetes. In this cross-sectional study, 737 patients with type 2 diabetes mellitus (290 males and 447 females) were recruited from diabetes clinics in Tehran. The usual dietary intake of all participants during the last year was obtained by validated semiquantitative food frequency questionnaire. APOA2 genotyping was performed by real-time PCR on genomic DNA. No significant relation was obtained by univariate analysis between anthropometric variables and APOA2 genotypes. However, after adjusting for age, gender, physical activity and total energy intake, we identified a significant interaction between APOA2-saturated fatty acids intake and body mass index (BMI). After adjusting for potential confounders, serum levels of ghrelin in CC genotype patients were significantly higher than T allele carriers (p = 0.03), whereas the case with leptin did not reveal a significant difference. The result of this study confirmed the interaction between APOA2 -256T>C polymorphism and SFAs intake with BMI in type 2 diabetic patients. In fact, homozygous patients for the C allele with high saturated fatty acids intake had higher BMI. The APOA2 -256T>C polymorphism was associated with elevated levels of serum ghrelin.

Color and emotion: effects of hue, saturation, and brightness.

PubMed

Wilms, Lisa; Oberfeld, Daniel

2017-06-13

Previous studies on emotional effects of color often failed to control all the three perceptual dimensions of color: hue, saturation, and brightness. Here, we presented a three-dimensional space of chromatic colors by independently varying hue (blue, green, red), saturation (low, medium, high), and brightness (dark, medium, bright) in a factorial design. The 27 chromatic colors, plus 3 brightness-matched achromatic colors, were presented via an LED display. Participants (N = 62) viewed each color for 30 s and then rated their current emotional state (valence and arousal). Skin conductance and heart rate were measured continuously. The emotion ratings showed that saturated and bright colors were associated with higher arousal. The hue also had a significant effect on arousal, which increased from blue and green to red. The ratings of valence were the highest for saturated and bright colors, and also depended on the hue. Several interaction effects of the three color dimensions were observed for both arousal and valence. For instance, the valence ratings were higher for blue than for the remaining hues, but only for highly saturated colors. Saturated and bright colors caused significantly stronger skin conductance responses. Achromatic colors resulted in a short-term deceleration in the heart rate, while chromatic colors caused an acceleration. The results confirm that color stimuli have effects on the emotional state of the observer. These effects are not only determined by the hue of a color, as is often assumed, but by all the three color dimensions as well as their interactions.

Hot phonon effect on electron velocity saturation in GaN: A second look

NASA Astrophysics Data System (ADS)

Khurgin, Jacob; Ding, Yujie J.; Jena, Debdeep

2007-12-01

A theoretical model is developed for electron velocity saturation in high power GaN transistors. It is shown that electron velocity at high electric fields is reduced due to heating of electron gas since the high density of nonequilibrium LO phonons cannot efficiently transfer heat to the lattice. However, the resulting degradation of electron velocity is found to be weaker than previously reported. The results are compared with experimental data, and the ways to improve the efficiency of cooling the electron gas to increase the drift velocity are discussed.

Voltage-spike analysis for a free-running parallel inverter

NASA Technical Reports Server (NTRS)

Lee, F. C. Y.; Wilson, T. G.

1974-01-01

Unwanted and sometimes damaging high-amplitude voltage spikes occur during each half cycle in many transistor saturable-core inverters at the moment when the core saturates and the transistors switch. The analysis shows that spikes are an intrinsic characteristic of certain types of inverters even with negligible leakage inductance and purely resistive load. The small but unavoidable after-saturation inductance of the saturable-core transformer plays an essential role in creating these undesired thigh-voltage spikes. State-plane analysis provides insight into the complex interaction between core and transistors, and shows the circuit parameters upon which the magnitude of these spikes depends.

Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111)

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

Xu, Pan; Liu, Shizhong; Hong, Sung -Young

Here, we describe a previously unreported ordered phase of carbon monoxide adsorbed on the (111) facet of single crystal palladium at near-saturation coverage. The adlayer superstructure is identified from low energy electron diffraction to be c(16×2) with respect to the underlying Pd(111) surface net. The ideal coverage is determined to be 0.6875 ML, approximately 92% of the 0.75–ML saturation coverage. Density functional theory calculations support a model for the molecular packing characterized by strips of locally-saturated (2×2) regions, with the CO bound near high-symmetry surface sites, separated by antiphase domain boundaries. The structure exists in a narrow coverage range andmore » is prepared by heating the saturated adlayer to desorb a small fraction of the CO. Comparison of the c(16×2) domain-boundary structure with structural motifs at lower coverages suggests that between 0.6 and 0.6875 ML the adlayer order may be more strongly influenced by interadsorbate repulsion than by adsorption-site-specific interactions. The system is an example of the structural complexity that results from the compromise between adsorbate–substrate and adsorbate–adsorbate interactions.« less

Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111)

DOE PAGES

Xu, Pan; Liu, Shizhong; Hong, Sung -Young; ...

2016-12-31

Here, we describe a previously unreported ordered phase of carbon monoxide adsorbed on the (111) facet of single crystal palladium at near-saturation coverage. The adlayer superstructure is identified from low energy electron diffraction to be c(16×2) with respect to the underlying Pd(111) surface net. The ideal coverage is determined to be 0.6875 ML, approximately 92% of the 0.75–ML saturation coverage. Density functional theory calculations support a model for the molecular packing characterized by strips of locally-saturated (2×2) regions, with the CO bound near high-symmetry surface sites, separated by antiphase domain boundaries. The structure exists in a narrow coverage range andmore » is prepared by heating the saturated adlayer to desorb a small fraction of the CO. Comparison of the c(16×2) domain-boundary structure with structural motifs at lower coverages suggests that between 0.6 and 0.6875 ML the adlayer order may be more strongly influenced by interadsorbate repulsion than by adsorption-site-specific interactions. The system is an example of the structural complexity that results from the compromise between adsorbate–substrate and adsorbate–adsorbate interactions.« less

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

Crandall, Dustin M.; Moore, Johnathan E.; Tudek, John K.

Evaluation of the fate and transport of carbon dioxide (CO 2) in deep reservoirs is crucial to the development of long-term geologic carbon sequestration (GCS) technologies. In this report, various studies using computed tomography (CT) scanning are utilized in conjunction with traditional flow tests to observe the multi-scale phenomena associated with CO 2 injection in geologic media. Pore scale analyses were performed to determine the infiltration characteristics of CO 2 into a brine saturated reservoir rock. Multiphase floods were performed to evaluate the saturation of CO 2 into a brine-saturated reservoir rock and determine how structural changes within the lithologymore » affect such interactions. Additionally, CO 2 induced swelling of unconventional reservoir rock was evaluated with respect to reductions in fracture transmissivity due to matrix swelling. These studies are just a few examples of the benefits of multi-scale CT imaging in conjunction with traditional laboratory methodology to gain a better understanding of the interactions between CO 2 and the lithologies it interacts with during GCS.« less

Comparison of (31)P saturation and inversion magnetization transfer in human liver and skeletal muscle using a clinical MR system and surface coils.

PubMed

Buehler, Tania; Kreis, Roland; Boesch, Chris

2015-02-01

(31)P MRS magnetization transfer ((31)P-MT) experiments allow the estimation of exchange rates of biochemical reactions, such as the creatine kinase equilibrium and adenosine triphosphate (ATP) synthesis. Although various (31)P-MT methods have been successfully used on isolated organs or animals, their application on humans in clinical scanners poses specific challenges. This study compared two major (31)P-MT methods on a clinical MR system using heteronuclear surface coils. Although saturation transfer (ST) is the most commonly used (31)P-MT method, sequences such as inversion transfer (IT) with short pulses might be better suited for the specific hardware and software limitations of a clinical scanner. In addition, small NMR-undetectable metabolite pools can transfer MT to NMR-visible pools during long saturation pulses, which is prevented with short pulses. (31)P-MT sequences were adapted for limited pulse length, for heteronuclear transmit-receive surface coils with inhomogeneous B1 , for the need for volume selection and for the inherently low signal-to-noise ratio (SNR) on a clinical 3-T MR system. The ST and IT sequences were applied to skeletal muscle and liver in 10 healthy volunteers. Monte-Carlo simulations were used to evaluate the behavior of the IT measurements with increasing imperfections. In skeletal muscle of the thigh, ATP synthesis resulted in forward reaction constants (k) of 0.074 ± 0.022 s(-1) (ST) and 0.137 ± 0.042 s(-1) (IT), whereas the creatine kinase reaction yielded 0.459 ± 0.089 s(-1) (IT). In the liver, ATP synthesis resulted in k = 0.267 ± 0.106 s(-1) (ST), whereas the IT experiment yielded no consistent results. ST results were close to literature values; however, the IT results were either much larger than the corresponding ST values and/or were widely scattered. To summarize, ST and IT experiments can both be implemented on a clinical body scanner with heteronuclear transmit-receive surface coils; however, ST results are much more robust against experimental imperfections than the current implementation of IT. Copyright © 2014 John Wiley & Sons, Ltd.

Instability of fluid flow over saturated porous medium

NASA Astrophysics Data System (ADS)

Lyubimova, Tatyana; Kolchanova, Ekaterina; Lyubimov, Dmitry

2013-04-01

We investigate the stability of a fluid flow over a saturated porous medium. The problem is of importance due to the applications to washing out of contaminants from the bottom layer of vegetation, whose properties are similar to the properties of porous medium. In the case of porous medium with the relatively high permeability and porosity the flow involves a part of the fluid saturating the porous medium, with the tangential fluid velocity drop occurring because of the resistance of the solid matrix. The drop leads to the instability analogous to Kelvin-Helmholtz one accompanied by the formation of travelling waves. In the present paper we consider a two-layer system consisting of a pure fluid layer and a porous layer saturated by the fluid located underneath. The system is bounded by a rigid surface at the bottom and a non-deformable free surface at the top. It is under the gravity and inclined at a slight angle to the horizontal axis. The boundary conditions at the interface between the fluid and porous layers are the continuity of fluid velocities and the balance of normal and tangential stresses taking into account the resistance of the solid matrix with respect to the fluid flow near the interface [1-2]. The problem is solved in the framework of the Brinkman model applying the classical shooting algorithm with orthogonalization. The stability boundaries of the stationary fluid flow over the saturated porous medium with respect to the small oscillatory perturbations are obtained for the various values of the Darcy number and the ratio of the porous layer thickness to the full thickness of the system d. It was shown that at the d > 0.5 with increasing the porous layer thickness (or with decreasing of the fluid layer thickness) the stability threshold rises. This is because of the fact that the instability is primarily caused by perturbations located in the fluid layer. At the d < 0.5 the reduction of the porous layer thickness leads to the stability threshold growth. The numerical calculations were also conducted for nonlinear regimes of the flow applying the finite-element method. Flow characteristics are determined at supercritical values of parameters. The work was made under the financial support of Russian Foundation for Basic Research (Grant 12-01-00795). 1. Ochoa-Tapia J. A. and Whitaker S. Momentum transfer at the boundary between a porous medium and a homogeneous fluid-I. Theoretical development. Int. J. Heat Mass Transfer. 1995. N 38. P. 2635-2646. 2. Ochoa-Tapia J. A. and Whitaker S. Momentum transfer at the boundary between a porous medium and a homogeneous fluid-II. Comparison with experiment. Int. J. Heat Mass Transfer. 1995. N 38. P. 2647-2655.

Empirical correlation between hydrophobic free energy and aqueous cavity surface area

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

Reynolds, J.A.; Gilbert, D.B.; Tanford, C.

1974-08-01

The unitary free energy of transfer of a hydrocarbon molecule from a hydrocarbon solvent to an aqueous medium is a measure of the hydrophobic interaction in the aqueous medium. We have reexamined available data on this phenomenon and have confirmed that the free energy for saturated hydrocarbons is proportional to the surface area of the cavity created by the solute in the aqueous solution, with the same proportionality constant for linear, branched, and cyclic hydrocarbon molecules. The numerical value of the proportionality constant is uncertain because absolute and self-consistent area measurements are not available. We estimate that it falls betweenmore » 20 and 25 cal/mole per Angstrom/sup 2/ at 25/sup 0/ (for areas measured at the distance of closest approach of water molecules), which is significantly less than the figure of 33 cal/mole per Angstrom/sup 2/ that has been assigned to the same parameter by Hermann.« less

Nonlinear evolution of energetic-particles-driven waves in collisionless plasmas

NASA Astrophysics Data System (ADS)

Li, Shuhan; Liu, Jinyuan; Wang, Feng; Shen, Wei; Li, Dong

2018-06-01

A one-dimensional electrostatic collisionless particle-in-cell code has been developed to study the nonlinear interaction between electrostatic waves and energetic particles (EPs). For a single wave, the results are clear and agree well with the existing theories. For coexisting two waves, although the mode nonlinear coupling between two wave fields is ignored, the second-order phase space islands can still exist between first-order islands generated by the two waves. However, the second-order phase islands are not formed by the superposed wave fields and the perturbed motions of EPs induced by the combined effect of two main resonances make these structures in phase space. Owing to these second-order islands, energy can be transferred between waves, even if the overlap of two main resonances never occurs. Depending on the distance between the main resonance islands in velocity space, the second-order island can affect the nonlinear dynamics and saturations of waves.

[The traditional medical system of the Emberá-Chamí Indians in the Caldas department, Colombia].

PubMed

Cardona-Arias, Jaiberth A

2012-08-01

Describing the Emberá-Chamí Indians' traditional medical system (Caldas Department, Colombia). This was an ethnographic study which involved 4 traditional doctors, 2 midwives, 3 healers, a faith-healer (medicine man) and 10 community members who were selected by theoretical sampling. Interviews, field diaries and participant observation were used in line with credibility, auditability and transferability criteria, and category saturation and methodological and theoretical triangulation. Traditional medicine, health, disease and healing were conceptualised, describing the system's therapeutic resources, links with biomedicine, spiritual domain components, the relevance of the Guardians and holy sites, the major rituals and roles of family, native physiotherapists, healers, medicine men/women, midwives and traditional faith-healing doctors. Indigenous people have valuable knowledge about practices involving the body, social interactions, coexistence with nature and spiritual beings which is based on harmony and integral worldviews.

Rational Design of Glycomimetic Compounds Targeting the Saccharomyces cerevisiae Transglycosylase Gas2.

PubMed

Delso, Ignacio; Valero-González, Jessika; Marca, Eduardo; Tejero, Tomás; Hurtado-Guerrero, Ramón; Merino, Pedro

2016-02-01

The transglycosylase Saccharomyces cerevisiae Gas2 (ScGas2) belongs to a large family of enzymes that are key players in yeast cell wall remodeling. Despite its biologic importance, no studies on the synthesis of substrate-based compounds as potential inhibitors have been reported. We have synthesized a series of docking-guided glycomimetics that were evaluated by fluorescence spectroscopy and saturation-transfer difference (STD) NMR experiments, revealing that a minimum of three glucose units linked via a β-(1,3) linkage are required for achieving molecular recognition at the binding donor site. The binding mode of our compounds is further supported by STD-NMR experiments using the active site-mutants Y107Q and Y244Q. Our results are important for both understanding of ScGas2-substrate interactions and setting up the basis for future design of glycomimetics as new antifungal agents. © 2015 John Wiley & Sons A/S.

LHC forward physics

DOE PAGES

Akiba, K.; Akbiyik, M.; Albrow, M.; ...

2016-10-17

The goal of this report is to give a comprehensive overview of the rich field of forward physics, with a special attention to the topics that can be studied at the LHC. The report starts presenting a selection of the Monte Carlo simulation tools currently available, chapter 2, then enters the rich phenomenology of QCD at low, chapter 3, and high, chapter 4, momentum transfer, while the unique scattering conditions of central exclusive production are analyzed in chapter 5. The last two experimental topics, Cosmic Ray and Heavy Ion physics are presented in the chapter 6 and 7 respectively. Chaptermore » 8 is dedicated to the BFKL dynamics, multiparton interactions, and saturation. Here, the report ends with an overview of the forward detectors at LHC. Each chapter is correlated with a comprehensive bibliography, attempting to provide to the interested reader with a wide opportunity for further studies.« less

LHC forward physics

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

Cartiglia, N.; Royon, C.

The goal of this report is to give a comprehensive overview of the rich field of forward physics, with a special attention to the topics that can be studied at the LHC. The report starts presenting a selection of the Monte Carlo simulation tools currently available, chapter 2, then enters the rich phenomenology of QCD at low, chapter 3, and high, chapter 4, momentum transfer, while the unique scattering conditions of central exclusive production are analyzed in chapter 5. The last two experimental topics, Cosmic Ray and Heavy Ion physics are presented in the chapter 6 and 7 respectively. Chaptermore » 8 is dedicated to the BFKL dynamics, multiparton interactions, and saturation. The report ends with an overview of the forward detectors at LHC. Each chapter is correlated with a comprehensive bibliography, attempting to provide to the interested reader with a wide opportunity for further studies.« less

Fano resonance in anodic aluminum oxide based photonic crystals.

PubMed

Shang, Guo Liang; Fei, Guang Tao; Zhang, Yao; Yan, Peng; Xu, Shao Hui; Ouyang, Hao Miao; Zhang, Li De

2014-01-08

Anodic aluminum oxide based photonic crystals with periodic porous structure have been prepared using voltage compensation method. The as-prepared sample showed an ultra-narrow photonic bandgap. Asymmetric line-shape profiles of the photonic bandgaps have been observed, which is attributed to Fano resonance between the photonic bandgap state of photonic crystal and continuum scattering state of porous structure. And the exhibited Fano resonance shows more clearly when the sample is saturated ethanol gas than air-filled. Further theoretical analysis by transfer matrix method verified these results. These findings provide a better understanding on the nature of photonic bandgaps of photonic crystals made up of porous materials, in which the porous structures not only exist as layers of effective-refractive-index material providing Bragg scattering, but also provide a continuum light scattering state to interact with Bragg scattering state to show an asymmetric line-shape profile.

The effect of initial resident fluid saturation on the interaction between resident and infiltrating fluids in porous media

NASA Astrophysics Data System (ADS)

Hsu, S. Y.; Chen, H.; Huang, Q. Z.; Lee, T. Y.; Chiu, Y.; Chang, L. C.; Lamorski, K.; Sławiński, C.; Tsao, C. W.

2017-12-01

The interplay between resident ("old") fluid already in the vadose zone and infiltrating ("new") fluid was examined with micromodel experiments. The geometric patterns of the micromodels are based on a pore doublet and a 2D pore geometry of a sand-packing soil scanned by Micro X-Ray CT. We studied the old and new fluid interaction during imbibition process subject to different evaporation times (different the initial old fluid saturations). The results found that, in the pore-doublet micromodel experiment, the old fluid was mixed and displaced by the new fluid, and an increase in the initial old fluid saturation led to a decrease in the amount of old fluid displaced by the new fluid. On the other hand, the most of the old fluid in the micromodel of 2D sand-packing pore geometry was displaced by and mixed with the new fluid. However, a small amount of the initial old fluid that occupied pore throats remained untouched by the new fluid due to the air blockage. The amount of untouched old fluid increased as the initial old fluid saturation decreased. Our finding reveals the effect of pore geometry and inital old fluid distribution on the interaction between resident and infiltrating fluids.

Saturation of the right-leg drive amplifier in low-voltage ECG monitors.

PubMed

Freeman, Daniel K; Gatzke, Ronald D; Mallas, Georgios; Chen, Yu; Brouse, Chris J

2015-01-01

Electrocardiogram (ECG) monitoring is a critical tool in patient care, but its utility is often balanced with frustration from clinicians who are constantly distracted by false alarms. This has motivated the need to readdress the major factors that contribute to ECG noise with the goal of reducing false alarms. In this study, we describe a previously unreported phenomenon in which ECG noise can result from an unintended interaction between two systems: 1) the dc lead-off circuitry that is used to detect whether electrodes fall off the patient; and 2) the right-leg drive (RLD) system that is responsible for reducing ac common-mode noise that couples into the body. Using a circuit model to study this interaction, we found that in the presence of a dc lead-off system, even moderate increases in the right-leg skin-electrode resistance can cause the RLD amplifier to saturate. Such saturation can produce ECG noise because the RLD amplifier will no longer be capable of attenuating ac common-mode noise on the body. RLD saturation is particularly a problem for modern ECG monitors that use low-voltage supply levels. For example, for a 12-lead ECG and a 2 V power supply, saturation will occur when the right-leg electrode resistance reaches only 2 MΩ. We discuss several design solutions that can be used in low-voltage monitors to avoid RLD saturation.

Photoreactive “Nanorulers” Detect a Novel Conformation of Full length HDAC3-SMRT Complex in Solution

PubMed Central

Abdelkarim, Hazem; Brunsteiner, Michael; Neelarapu, Raghupathi; Bai, He; Madriaga, Antonett; van Breemen, Richard B.; Blond, Sylvie Y.; Gaponenko, Vadim; Petukhov, Pavel A.

2013-01-01

Histone deacetylase 3 (HDAC3) is a promising epigenetic drug target for multiple therapeutic applications. Direct interaction between the Deacetylase Activating Domain of the silencing mediator for retinoid or thyroid hormone receptors (SMRT-DAD) is required for activation of enzymatic activity of HDAC3. The structure of this complex and the nature of interactions with HDAC inhibitors in solution are unknown. Using novel photoreactive HDAC probes – “nanorulers”, we determined the distance between the catalytic site of the full-length HDAC3 and SMRT-DAD in solution at physiologically relevant conditions and found it to be substantially different from that predicted by the X-ray model with a Δ379-428aa truncated HDAC3. Further experiments indicated that in solution this distance might change in response to chemical stimuli, while the enzymatic activity remained unaffected. These observations were further validated by Saturation Transfer Difference (STD) NMR experiments. We propose that the observed changes in the distance are an important part of the histone code that remains to be explored. Mapping direct interactions and distances between macromolecules with such “nanorulers” as a function of cellular events facilitates better understanding of basic biology and ways for its manipulation in cell and tissue specific manner. PMID:24010878

Structure of a protective epitope of group B Streptococcus type III capsular polysaccharide.

PubMed

Carboni, Filippo; Adamo, Roberto; Fabbrini, Monica; De Ricco, Riccardo; Cattaneo, Vittorio; Brogioni, Barbara; Veggi, Daniele; Pinto, Vittoria; Passalacqua, Irene; Oldrini, Davide; Rappuoli, Rino; Malito, Enrico; Margarit, Immaculada Y Ros; Berti, Francesco

2017-05-09

Despite substantial progress in the prevention of group B Streptococcus (GBS) disease with the introduction of intrapartum antibiotic prophylaxis, this pathogen remains a leading cause of neonatal infection. Capsular polysaccharide conjugate vaccines have been tested in phase I/II clinical studies, showing promise for further development. Mapping of epitopes recognized by protective antibodies is crucial for understanding the mechanism of action of vaccines and for enabling antigen design. In this study, we report the structure of the epitope recognized by a monoclonal antibody with opsonophagocytic activity and representative of the protective response against type III GBS polysaccharide. The structure and the atomic-level interactions were determined by saturation transfer difference (STD)-NMR and X-ray crystallography using oligosaccharides obtained by synthetic and depolymerization procedures. The GBS PSIII epitope is made by six sugars. Four of them derive from two adjacent repeating units of the PSIII backbone and two of them from the branched galactose-sialic acid disaccharide contained in this sequence. The sialic acid residue establishes direct binding interactions with the functional antibody. The crystal structure provides insight into the molecular basis of antibody-carbohydrate interactions and confirms that the conformational epitope is not required for antigen recognition. Understanding the structural basis of immune recognition of capsular polysaccharide epitopes can aid in the design of novel glycoconjugate vaccines.

Chemical Exchange Saturation Transfer (CEST) MR Technique for Liver Imaging at 3.0 Tesla: an Evaluation of Different Offset Number and an After-Meal and Over-Night-Fast Comparison.

PubMed

Deng, Min; Chen, Shu-Zhong; Yuan, Jing; Chan, Queenie; Zhou, Jinyuan; Wáng, Yì-Xiáng J

2016-04-01

This study seeks to explore whether chemical exchange saturation transfer (CEST) magnetic resonance imaging (MRI) can detect liver composition changes between after-meal and over-night-fast statuses. Fifteen healthy volunteers were scanned on a 3.0-T human MRI scanner in the evening 1.5-2 h after dinner and in the morning after over-night (12-h) fasting. Among them, seven volunteers were scanned twice to assess the scan-rescan reproducibility. Images were acquired at offsets (n = 41, increment = 0.25 ppm) from -5 to 5 ppm using a turbo spin echo (TSE) sequence with a continuous rectangular saturation pulse. Amide proton transfer-weighted (APTw) and GlycoCEST signals were quantified with the asymmetric magnetization transfer ratio (MTRasym) at 3.5 ppm and the total MTRasym integrated from 0.5 to 1.5 ppm from the corrected Z-spectrum, respectively. To explore scan time reduction, CEST images were reconstructed using 31 offsets (with 20% time reduction) and 21 offsets (with 40% time reduction), respectively. For reproducibility, GlycoCEST measurements in 41 offsets showed the smallest scan-rescan mean measurements variability, indicated by the lowest mean difference of -0.049% (95% limits of agreement, -0.209 to 0.111%); for APTw, the smallest mean difference was found to be 0.112% (95% limits of agreement, -0.698 to 0.921%) in 41 offsets. Compared with after-meal, both GlycoCEST measurement and APTw measurement under different offset number decreased after 12-h fasting. However, as the offsets number decreased (41 offsets vs. 31 offsets vs. 21 offsets), GlycoCEST map and APTw map became more heterogeneous and noisier. Our results show that CEST liver imaging at 3.0 T has high sensitivity for fasting.

A review of optimization and quantification techniques for chemical exchange saturation transfer (CEST) MRI toward sensitive in vivo imaging

PubMed Central

Guo, Yingkun; Zheng, Hairong; Sun, Phillip Zhe

2015-01-01

Chemical exchange saturation transfer (CEST) MRI is a versatile imaging method that probes the chemical exchange between bulk water and exchangeable protons. CEST imaging indirectly detects dilute labile protons via bulk water signal changes following selective saturation of exchangeable protons, which offers substantial sensitivity enhancement and has sparked numerous biomedical applications. Over the past decade, CEST imaging techniques have rapidly evolved due to contributions from multiple domains, including the development of CEST mathematical models, innovative contrast agent designs, sensitive data acquisition schemes, efficient field inhomogeneity correction algorithms, and quantitative CEST (qCEST) analysis. The CEST system that underlies the apparent CEST-weighted effect, however, is complex. The experimentally measurable CEST effect depends not only on parameters such as CEST agent concentration, pH and temperature, but also on relaxation rate, magnetic field strength and more importantly, experimental parameters including repetition time, RF irradiation amplitude and scheme, and image readout. Thorough understanding of the underlying CEST system using qCEST analysis may augment the diagnostic capability of conventional imaging. In this review, we provide a concise explanation of CEST acquisition methods and processing algorithms, including their advantages and limitations, for optimization and quantification of CEST MRI experiments. PMID:25641791

Interactions of poly(amidoamine) dendrimers with human serum albumin: binding constants and mechanisms.

PubMed

Giri, Jyotsnendu; Diallo, Mamadou S; Simpson, André J; Liu, Yi; Goddard, William A; Kumar, Rajeev; Woods, Gwen C

2011-05-24

The interactions of nanomaterials with plasma proteins have a significant impact on their in vivo transport and fate in biological fluids. This article discusses the binding of human serum albumin (HSA) to poly(amidoamine) [PAMAM] dendrimers. We use protein-coated silica particles to measure the HSA binding constants (K(b)) of a homologous series of 19 PAMAM dendrimers in aqueous solutions at physiological pH (7.4) as a function of dendrimer generation, terminal group, and core chemistry. To gain insight into the mechanisms of HSA binding to PAMAM dendrimers, we combined (1)H NMR, saturation transfer difference (STD) NMR, and NMR diffusion ordered spectroscopy (DOSY) of dendrimer-HSA complexes with atomistic molecular dynamics (MD) simulations of dendrimer conformation in aqueous solutions. The binding measurements show that the HSA binding constants (K(b)) of PAMAM dendrimers depend on dendrimer size and terminal group chemistry. The NMR (1)H and DOSY experiments indicate that the interactions between HSA and PAMAM dendrimers are relatively weak. The (1)H NMR STD experiments and MD simulations suggest that the inner shell protons of the dendrimers groups interact more strongly with HSA proteins. These interactions, which are consistently observed for different dendrimer generations (G0-NH(2)vs G4-NH(2)) and terminal groups (G4-NH(2)vs G4-OH with amidoethanol groups), suggest that PAMAM dendrimers adopt backfolded configurations as they form weak complexes with HSA proteins in aqueous solutions at physiological pH (7.4).

Structural Basis for Norovirus Inhibition and Fucose Mimicry by Citrate

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

Hansman, Grant S.; Shahzad-ul-Hussan, Syed; McLellan, Jason S.

2012-01-20

Human noroviruses bind with their capsid-protruding domains to histo-blood-group antigens (HBGAs), an interaction thought to direct their entry into cells. Although human noroviruses are the major cause of gastroenteritis outbreaks, development of antivirals has been lacking, mainly because human noroviruses cannot be cultivated. Here we use X-ray crystallography and saturation transfer difference nuclear magnetic resonance (STD NMR) to analyze the interaction of citrate with genogroup II (GII) noroviruses. Crystals of citrate in complex with the protruding domain from norovirus GII.10 Vietnam026 diffracted to 1.4 {angstrom} and showed a single citrate bound at the site of HBGA interaction. The citrate interactionmore » was coordinated with a set of capsid interactions almost identical to that involved in recognizing the terminal HBGA fucose, the saccharide which forms the primary conserved interaction between HBGAs and GII noroviruses. Citrate and a water molecule formed a ring-like structure that mimicked the pyranoside ring of fucose. STD NMR showed the protruding domain to have weak affinity for citrate (460 {mu}M). This affinity, however, was similar to the affinities of the protruding domain for fucose (460 {mu}M) and H type 2 trisaccharide (390 {mu}M), an HBGA shown previously to be specifically recognized by human noroviruses. Importantly, competition STD NMR showed that citrate could compete with HBGA for norovirus binding. Together, the results suggest that citrate and other glycomimetics have the potential to block human noroviruses from binding to HBGAs.« less

Investigation of saturated critical heat flux in a single, uniformly heated microchannel

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

Wojtan, Leszek; Revellin, Remi; Thome, John R.

2006-08-15

A series of tests have been performed to determine the saturated critical heat flux (CHF) in 0.5 and 0.8mm internal diameter microchannel tubes as a function of refrigerant mass velocity, heated length, saturation temperature and inlet liquid subcooling. The tested refrigerants were R-134a and R-245fa and the heated length of microchannel was varied between 20 and 70mm. The results show a strong dependence of CHF on mass velocity, heated length and microchannel diameter but no influence of liquid subcooling (2-15{sup o}C) was observed. The experimental results have been compared to the well-known CHF single-channel correlation of Y. Katto and H.more » Ohno [An improved version of the generalized correlation of critical heat flux for the forced convective boiling in uniformly heated vertical tubes, Int. J. Heat and Mass Transfer 27 (9) (1984) 1641-1648] and the multichannel correlation of W. Qu and I. Mudawar [Measurement and correlation of critical heat flux in two-phase microchannel heat sinks, Int. J. Heat and Mass Transfer 47 (2004) 2045-2059]. The comparison shows that the correlation of Katto-Ohno predicts microchannel data with a mean absolute error of 32.8% with only 41.2% of the data falling within a +/-15% error band. The correlation of Qu and Mudawar shows the same trends as the CHF data but significantly overpredicts them. Based on the present experimental data, a new microscale version of the Katto-Ohno correlation for the prediction of CHF during saturated boiling in microchannels has been proposed. (author)« less

Graphical Procedure for Comparing Thermal Death of Bacillus stearothermophilus Spores in Saturated and Superheated Steam

PubMed Central

Shull, James J.; Ernst, Robert R.

1962-01-01

The thermal death curve of dried spores of Bacillus stearothermophilus in saturated steam was characterized by three phases: (i) a sharp initial rise in viable count; (ii) a low rate of death which gradually increased; and (iii) logarithmic death at maximal rate. The first phase was a reflection of inadequate heat activation of the spore population. The second and third phases represented the characteristic thermal death curve of the spores in saturated steam. A jacketed steam sterilizer, equipped with a system for initial evacuation of the chamber, was examined for superheat during normal operation. Measurements of spore inactivation and temperature revealed superheat in surface layers of fabrics being processed in steam at 121 C. The high temperature of the fabric surfaces was attributed to absorption of excess heat energy from superheated steam. The superheated steam was produced at the beginning of the normal sterilizing cycle by transfer of heat from the steam-heated jacket to saturated steam entering the vessel. PMID:13988774

Heat Transfer Enhancement due to Bubble Pumping in FC-72 Near the Saturation Temperature

DTIC Science & Technology

1991-03-01

boiling, (2) reducing wall superheat during nucleate boiling and (3) enhancing critical heat flux ( Mudawar , 1990) . Since the heat transfer potential of...flux from a simulated electronic chip attached to the wall of a vertical rectangular channel was determined by Mudawar and Madox (1988). They concluded...Surface Boiling," Industrial and Engineering Chemistry, vol. 41, No. 9, 1949. Mudawar , I., and D.E. Maddox, Critical Heat Flux in Subcooled Flow Boiling

The Subscale Orbital Fluid Transfer Experiment

NASA Technical Reports Server (NTRS)

Meserole, J. S.; Collins, Frank G.; Jones, Ogden; Antar, Basil; Menzel, Reinhard; Gray, Perry

1989-01-01

The Center for Advanced Spacecraft Propulsion (CASP) is a subcontractor to Boeing Aerospace Corporation to provide support for the concept definition and design of a subscale orbital fluid transfer experiment (SOFTE). SOFTE is an experiment that will look at the fluid mechanics of the process of transfer of a saturated fluid between two tanks. The experiment will be placed in two get away special (GAS) can containers; the tanks will be in one container and the power and electronics will be in a second container. Since GAS cans are being used, the experiment will be autonomous. The work during the present year consisted of examining concepts for visual observation of the fluid transfer process, methods for accurately metering the amount of fluid transferred between the two tanks, possible test fluids, and materials for the elastomeric diaphragm.

Polyhydroxylated [60]fullerene binds specifically to functional recognition sites on a monomeric and a dimeric ubiquitin

NASA Astrophysics Data System (ADS)

Zanzoni, Serena; Ceccon, Alberto; Assfalg, Michael; Singh, Rajesh K.; Fushman, David; D'Onofrio, Mariapina

2015-04-01

The use of nanoparticles (NPs) in biomedical applications requires an in-depth understanding of the mechanisms by which NPs interact with biomolecules. NPs associating with proteins may interfere with protein-protein interactions and affect cellular communication pathways, however the impact of NPs on biomolecular recognition remains poorly characterized. In this respect, particularly relevant is the study of NP-induced functional perturbations of proteins implicated in the regulation of key biochemical pathways. Ubiquitin (Ub) is a prototypical protein post-translational modifier playing a central role in numerous essential biological processes. To contribute to the understanding of the interactions between this universally distributed biomacromolecule and NPs, we investigated the adsorption of polyhydroxylated [60]fullerene on monomeric Ub and on a minimal polyubiquitin chain in vitro at atomic resolution. Site-resolved chemical shift and intensity perturbations of Ub's NMR signals, together with 15N spin relaxation rate changes, exchange saturation transfer effects, and fluorescence quenching data were consistent with the reversible formation of soluble aggregates incorporating fullerenol clusters. The specific interaction epitopes were identified, coincident with functional recognition sites in a monomeric and lysine48-linked dimeric Ub. Fullerenol appeared to target the open state of the dynamic structure of a dimeric Ub according to a conformational selection mechanism. Importantly, the protein-NP association prevented the enzyme-catalyzed synthesis of polyubiquitin chains. Our findings provide an experiment-based insight into protein/fullerenol recognition, with implications in functional biomolecular communication, including regulatory protein turnover, and for the opportunity of therapeutic intervention in Ub-dependent cellular pathways.The use of nanoparticles (NPs) in biomedical applications requires an in-depth understanding of the mechanisms by which NPs interact with biomolecules. NPs associating with proteins may interfere with protein-protein interactions and affect cellular communication pathways, however the impact of NPs on biomolecular recognition remains poorly characterized. In this respect, particularly relevant is the study of NP-induced functional perturbations of proteins implicated in the regulation of key biochemical pathways. Ubiquitin (Ub) is a prototypical protein post-translational modifier playing a central role in numerous essential biological processes. To contribute to the understanding of the interactions between this universally distributed biomacromolecule and NPs, we investigated the adsorption of polyhydroxylated [60]fullerene on monomeric Ub and on a minimal polyubiquitin chain in vitro at atomic resolution. Site-resolved chemical shift and intensity perturbations of Ub's NMR signals, together with 15N spin relaxation rate changes, exchange saturation transfer effects, and fluorescence quenching data were consistent with the reversible formation of soluble aggregates incorporating fullerenol clusters. The specific interaction epitopes were identified, coincident with functional recognition sites in a monomeric and lysine48-linked dimeric Ub. Fullerenol appeared to target the open state of the dynamic structure of a dimeric Ub according to a conformational selection mechanism. Importantly, the protein-NP association prevented the enzyme-catalyzed synthesis of polyubiquitin chains. Our findings provide an experiment-based insight into protein/fullerenol recognition, with implications in functional biomolecular communication, including regulatory protein turnover, and for the opportunity of therapeutic intervention in Ub-dependent cellular pathways. Electronic supplementary information (ESI) available: Experimental details. Fig. S1. Characterization of fullerenol by dynamic light scattering. Fig. S2. Size-exclusion chromatography. Fig. S3. 15N R1 spin relaxation rates of Ub and Ub2 upon subsequent additions of fullerenol. See DOI: 10.1039/c5nr00539f

Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions

PubMed Central

2017-01-01

Many important industrial separation processes based on adsorption operate close to saturation. In this regime, the underlying adsorption processes are mostly driven by entropic forces. At equilibrium, the entropy of adsorption is closely related to the enthalpy of adsorption. Thus, studying the behavior of the enthalpy of adsorption as a function of loading is fundamental to understanding separation processes. Unfortunately, close to saturation, the enthalpy of adsorption is hard to measure experimentally and hard to compute in simulations. In simulations, the enthalpy of adsorption is usually obtained from energy/particle fluctuations in the grand-canonical ensemble, but this methodology is hampered by vanishing insertions/deletions at high loading. To investigate the fundamental behavior of the enthalpy and entropy of adsorption at high loading, we develop a simplistic model of adsorption in a channel and show that at saturation the enthalpy of adsorption diverges to large positive values due to repulsive intermolecular interactions. However, there are many systems that can avoid repulsive intermolecular interactions and hence do not show this drastic increase in enthalpy of adsorption close to saturation. We find that the conventional grand-canonical Monte Carlo method is incapable of determining the enthalpy of adsorption from energy/particle fluctuations at high loading. Here, we show that by using the continuous fractional component Monte Carlo, the enthalpy of adsorption close to saturation conditions can be reliably obtained from the energy/particle fluctuations in the grand-canonical ensemble. The best method to study properties at saturation is the NVT energy (local-) slope methodology. PMID:28521093

Nuclear matter from effective quark-quark interaction.

PubMed

Baldo, M; Fukukawa, K

2014-12-12

We study neutron matter and symmetric nuclear matter with the quark-meson model for the two-nucleon interaction. The Bethe-Bruckner-Goldstone many-body theory is used to describe the correlations up to the three hole-line approximation with no extra parameters. At variance with other nonrelativistic realistic interactions, the three hole-line contribution turns out to be non-negligible and to have a substantial saturation effect. The saturation point of nuclear matter, the compressibility, the symmetry energy, and its slope are within the phenomenological constraints. Since the interaction also reproduces fairly well the properties of the three-nucleon system, these results indicate that the explicit introduction of the quark degrees of freedom within the considered constituent quark model is expected to reduce the role of three-body forces.

Wave Breaking Dissipation in Fetch-Limited Seas

NASA Astrophysics Data System (ADS)

Schwendeman, M.; Thomson, J. M.; Gemmrich, J.

2012-12-01

Breaking waves on the ocean surface control wave growth and enhance air-sea interaction, yet field measurements of breaking are limited. A promising technique for field measurements of wave breaking uses the breaking crest length distribution Λ(c), introduced by Phillips (1985). However, calculating dynamic quantities from Λ(c) requires knowledge of the breaking strength parameter, b. Estimates of a b have varied over many orders of magnitude, and recent studies have attempted to model b in terms of sea state, such as wave steepness or saturation. We present comprehensive observations of breaking in fetch-limited conditions from Juan de Fuca Strait, WA. The wave evolution along fetch is explained by an observed energy budget using the radiative transfer equation (RTE), and the evolution is consistent with existing empirical fetch laws. Estimates of Λ(c) increase along fetch and are consistent with directly measured breaking rates. Using novel in situ measures of dissipation, as well as a residual term from the RTE budget, we obtain robust estimates of the wave breaking strength b. Results suggest that b decreases with wave steepness and saturation, in contrast with recent laboratory results (Drazen et al, 2008). This trend is discussed in terms of the fetch evolution and associated broadening of the equilibrium range in the wave spectra.Map of drifter tracks colored by wave height for two days in Juan de Fuca Strait, WA.

Saturation behavior: a general relationship described by a simple second-order differential equation.

PubMed

Kepner, Gordon R

2010-04-13

The numerous natural phenomena that exhibit saturation behavior, e.g., ligand binding and enzyme kinetics, have been approached, to date, via empirical and particular analyses. This paper presents a mechanism-free, and assumption-free, second-order differential equation, designed only to describe a typical relationship between the variables governing these phenomena. It develops a mathematical model for this relation, based solely on the analysis of the typical experimental data plot and its saturation characteristics. Its utility complements the traditional empirical approaches. For the general saturation curve, described in terms of its independent (x) and dependent (y) variables, a second-order differential equation is obtained that applies to any saturation phenomena. It shows that the driving factor for the basic saturation behavior is the probability of the interactive site being free, which is described quantitatively. Solving the equation relates the variables in terms of the two empirical constants common to all these phenomena, the initial slope of the data plot and the limiting value at saturation. A first-order differential equation for the slope emerged that led to the concept of the effective binding rate at the active site and its dependence on the calculable probability the interactive site is free. These results are illustrated using specific cases, including ligand binding and enzyme kinetics. This leads to a revised understanding of how to interpret the empirical constants, in terms of the variables pertinent to the phenomenon under study. The second-order differential equation revealed the basic underlying relations that describe these saturation phenomena, and the basic mathematical properties of the standard experimental data plot. It was shown how to integrate this differential equation, and define the common basic properties of these phenomena. The results regarding the importance of the slope and the new perspectives on the empirical constants governing the behavior of these phenomena led to an alternative perspective on saturation behavior kinetics. Their essential commonality was revealed by this analysis, based on the second-order differential equation.

Interaction of the geomagnetic field with northward interplanetary magnetic field

NASA Astrophysics Data System (ADS)

Bhattarai, Shree Krishna

The interaction of the solar wind with Earth's magnetic field causes the transfer of momentum and energy from the solar wind to geospace. The study of this interaction is gaining significance as our society is becoming more and more space based, due to which, predicting space weather has become more important. The solar wind interacts with the geomagnetic field primarily via two processes: viscous interaction and the magnetic reconnection. Both of these interactions result in the generation of an electric field in Earth's ionosphere. The overall topology and dynamics of the magnetosphere, as well as the electric field imposed on the ionosphere, vary with speed, density, and magnetic field orientation of the solar wind as well as the conductivity of the ionosphere. In this dissertation, I will examine the role of northward interplanetary magnetic field (IMF) and discuss the global topology of the magnetosphere and the interaction with the ionosphere using results obtained from the Lyon-Fedder-Mobarry (LFM) simulation. The electric potentials imposed on the ionosphere due to viscous interaction and magnetic reconnection are called the viscous and the reconnection potentials, respectively. A proxy to measure the overall effect of these potentials is to measure the cross polar potential (CPP). The CPP is defined as the difference between the maximum and the minimum of the potential in a given polar ionosphere. I will show results from the LFM simulation showing saturation of the CPP during periods with purely northward IMF of sufficiently large magnitude. I will further show that the viscous potential, which was assumed to be independent of IMF orientation until this work, is reduced during periods of northward IMF. Furthermore, I will also discuss the implications of these results for a simulation of an entire solar rotation.

Eu(III) complexes as anion-responsive luminescent sensors and paramagnetic chemical exchange saturation transfer agents.

PubMed

Hammell, Jacob; Buttarazzi, Leandro; Huang, Ching-Hui; Morrow, Janet R

2011-06-06

The Eu(III) complex of (1S,4S,7S,10S)-1,4,7,10-tetrakis(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane (S-THP) is studied as a sensor for biologically relevant anions. Anion interactions produce changes in the luminescence emission spectrum of the Eu(III) complex, in the (1)H NMR spectrum, and correspondingly, in the PARACEST spectrum of the complex (PARACEST = paramagnetic chemical exchange saturation transfer). Direct excitation spectroscopy and luminescence lifetime studies of Eu(S-THP) give information about the speciation and nature of anion interactions including carbonate, acetate, lactate, citrate, phosphate, and methylphosphate at pH 7.2. Data is consistent with the formation of both innersphere and outersphere complexes of Eu(S-THP) with acetate, lactate, and carbonate. These anions have weak dissociation constants that range from 19 to 38 mM. Citrate binding to Eu(S-THP) is predominantly innersphere with a dissociation constant of 17 μM. Luminescence emission peak changes upon addition of anion to Eu(S-THP) show that there are two distinct binding events for phosphate and methylphosphate with dissociation constants of 0.3 mM and 3.0 mM for phosphate and 0.6 mM and 9.8 mM for methyl phosphate. Eu(THPC) contains an appended carbostyril derivative as an antenna to sensitize Eu(III) luminescence. Eu(THPC) binds phosphate and citrate with dissociation constants that are 10-fold less than that of the Eu(S-THP) parent, suggesting that functionalization through a pendent group disrupts the anion binding site. Eu(S-THP) functions as an anion responsive PARACEST agent through exchange of the alcohol protons with bulk water. The alcohol proton resonances of Eu(S-THP) shift downfield in the presence of acetate, lactate, citrate, and methylphosphate, giving rise to distinct PARACEST peaks. In contrast, phosphate binds to Eu(S-THP) to suppress the PARACEST alcohol OH peak and carbonate does not markedly change the alcohol peak at 5 mM Eu(S-THP), 15 mM carbonate at pH 6.5 or 7.2. This work shows that the Eu(S-THP) complex has unique selectivity toward binding of biologically relevant anions and that anion binding results in changes in both the luminescence and the PARACEST spectra of the complex. © 2011 American Chemical Society

Photoinduced Charge Transfer from Titania to Surface Doping Site

PubMed Central

Inerbaev, Talgat; Hoefelmeyer, James D.; Kilin, Dmitri S.

2013-01-01

We evaluate a theoretical model in which Ru is substituting for Ti at the (100) surface of anatase TiO2. Charge transfer from the photo-excited TiO2 substrate to the catalytic site triggers the photo-catalytic event (such as water oxidation or reduction half-reaction). We perform ab-initio computational modeling of the charge transfer dynamics on the interface of TiO2 nanorod and catalytic site. A slab of TiO2 represents a fragment of TiO2 nanorod in the anatase phase. Titanium to ruthenium replacement is performed in a way to match the symmetry of TiO2 substrate. One molecular layer of adsorbed water is taken into consideration to mimic the experimental conditions. It is found that these adsorbed water molecules saturate dangling surface bonds and drastically affect the electronic properties of systems investigated. The modeling is performed by reduced density matrix method in the basis of Kohn-Sham orbitals. A nano-catalyst modeled through replacement defect contributes energy levels near the bottom of the conduction band of TiO2 nano-structure. An exciton in the nano-rod is dissipating due to interaction with lattice vibrations, treated through non-adiabatic coupling. The electron relaxes to conduction band edge and then to the Ru cite with faster rate than hole relaxes to the Ru cite. These results are of the importance for an optimal design of nano-materials for photo-catalytic water splitting and solar energy harvesting. PMID:23795229

Photoinduced Charge Transfer from Titania to Surface Doping Site.

PubMed

Inerbaev, Talgat; Hoefelmeyer, James D; Kilin, Dmitri S

2013-05-16

We evaluate a theoretical model in which Ru is substituting for Ti at the (100) surface of anatase TiO 2 . Charge transfer from the photo-excited TiO 2 substrate to the catalytic site triggers the photo-catalytic event (such as water oxidation or reduction half-reaction). We perform ab-initio computational modeling of the charge transfer dynamics on the interface of TiO 2 nanorod and catalytic site. A slab of TiO 2 represents a fragment of TiO 2 nanorod in the anatase phase. Titanium to ruthenium replacement is performed in a way to match the symmetry of TiO 2 substrate. One molecular layer of adsorbed water is taken into consideration to mimic the experimental conditions. It is found that these adsorbed water molecules saturate dangling surface bonds and drastically affect the electronic properties of systems investigated. The modeling is performed by reduced density matrix method in the basis of Kohn-Sham orbitals. A nano-catalyst modeled through replacement defect contributes energy levels near the bottom of the conduction band of TiO 2 nano-structure. An exciton in the nano-rod is dissipating due to interaction with lattice vibrations, treated through non-adiabatic coupling. The electron relaxes to conduction band edge and then to the Ru cite with faster rate than hole relaxes to the Ru cite. These results are of the importance for an optimal design of nano-materials for photo-catalytic water splitting and solar energy harvesting.

Adlayer structure dependent ultrafast desorption dynamics in carbon monoxide adsorbed on Pd (111)

NASA Astrophysics Data System (ADS)

Hong, Sung-Young; Xu, Pan; Camillone, Nina R.; White, Michael G.; Camillone, Nicholas

2016-07-01

We report our ultrafast photoinduced desorption investigation of the coverage dependence of substrate-adsorbate energy transfer in carbon monoxide adlayers on the (111) surface of palladium. As the CO coverage is increased, the adsorption site population shifts from all threefold hollows (up to 0.33 ML), to bridge and near bridge (>0.5 to 0.6 ML) and finally to mixed threefold hollow plus top site (at saturation at 0.75 ML). We show that between 0.24 and 0.75 ML this progression of binding site motifs is accompanied by two remarkable features in the ultrafast photoinduced desorption of the adsorbates: (i) the desorption probability increases roughly two orders magnitude, and (ii) the adsorbate-substrate energy transfer rate observed in two-pulse correlation experiments varies nonmonotonically, having a minimum at intermediate coverages. Simulations using a phenomenological model to describe the adsorbate-substrate energy transfer in terms of frictional coupling indicate that these features are consistent with an adsorption-site dependent electron-mediated energy coupling strength, ηel, that decreases with binding site in the order: three-fold hollow > bridge and near bridge > top site. This weakening of ηel largely counterbalances the decrease in the desorption activation energy that accompanies this progression of adsorption site motifs, moderating what would otherwise be a rise of several orders of magnitude in the desorption probability. Within this framework, the observed energy transfer rate enhancement at saturation coverage is due to interadsorbate energy transfer from the copopulation of molecules bound in three-fold hollows to their top-site neighbors.

Adlayer structure dependent ultrafast desorption dynamics in carbon monoxide adsorbed on Pd (111)

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

Hong, Sung -Young; Xu, Pan; Camillone, Nina R.

Here, we report our ultrafast photoinduced desorption investigation of the coverage dependence of substrate–adsorbate energy transfer in carbon monoxide adlayers on the (111) surface of palladium. As the CO coverage is increased, the adsorption site population shifts from all threefold hollows (up to 0.33 ML), to bridge and near bridge (>0.5 to 0.6 ML) and finally to mixed threefold hollow plus top site (at saturation at 0.75 ML). We show that between 0.24 and 0.75 ML this progression of binding site motifs is accompanied by two remarkable features in the ultrafast photoinduced desorption of the adsorbates: (i) the desorption probabilitymore » increases roughly two orders magnitude, and (ii) the adsorbate–substrate energy transfer rate observed in two-pulse correlation experiments varies nonmonotonically, having a minimum at intermediate coverages. Simulations using a phenomenological model to describe the adsorbate–substrate energy transfer in terms of frictional coupling indicate that these features are consistent with an adsorption-site dependent electron-mediated energy coupling strength, η el, that decreases with binding site in the order: three-fold hollow > bridge and near bridge > top site. This weakening of η el largely counterbalances the decrease in the desorption activation energy that accompanies this progression of adsorption site motifs, moderating what would otherwise be a rise of several orders of magnitude in the desorption probability. Within this framework, the observed energy transfer rate enhancement at saturation coverage is due to interadsorbate energy transfer from the copopulation of molecules bound in three-fold hollows to their top-site neighbors.« less

Adlayer structure dependent ultrafast desorption dynamics in carbon monoxide adsorbed on Pd (111)

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

Hong, Sung-Young; Camillone, Nina R.; Camillone, Nicholas, E-mail: nicholas@bnl.gov

We report our ultrafast photoinduced desorption investigation of the coverage dependence of substrate–adsorbate energy transfer in carbon monoxide adlayers on the (111) surface of palladium. As the CO coverage is increased, the adsorption site population shifts from all threefold hollows (up to 0.33 ML), to bridge and near bridge (>0.5 to 0.6 ML) and finally to mixed threefold hollow plus top site (at saturation at 0.75 ML). We show that between 0.24 and 0.75 ML this progression of binding site motifs is accompanied by two remarkable features in the ultrafast photoinduced desorption of the adsorbates: (i) the desorption probability increasesmore » roughly two orders magnitude, and (ii) the adsorbate–substrate energy transfer rate observed in two-pulse correlation experiments varies nonmonotonically, having a minimum at intermediate coverages. Simulations using a phenomenological model to describe the adsorbate–substrate energy transfer in terms of frictional coupling indicate that these features are consistent with an adsorption-site dependent electron-mediated energy coupling strength, η{sub el}, that decreases with binding site in the order: three-fold hollow > bridge and near bridge > top site. This weakening of η{sub el} largely counterbalances the decrease in the desorption activation energy that accompanies this progression of adsorption site motifs, moderating what would otherwise be a rise of several orders of magnitude in the desorption probability. Within this framework, the observed energy transfer rate enhancement at saturation coverage is due to interadsorbate energy transfer from the copopulation of molecules bound in three-fold hollows to their top-site neighbors.« less

Adlayer structure dependent ultrafast desorption dynamics in carbon monoxide adsorbed on Pd (111)

DOE PAGES

Hong, Sung -Young; Xu, Pan; Camillone, Nina R.; ...

2016-07-01

Here, we report our ultrafast photoinduced desorption investigation of the coverage dependence of substrate–adsorbate energy transfer in carbon monoxide adlayers on the (111) surface of palladium. As the CO coverage is increased, the adsorption site population shifts from all threefold hollows (up to 0.33 ML), to bridge and near bridge (>0.5 to 0.6 ML) and finally to mixed threefold hollow plus top site (at saturation at 0.75 ML). We show that between 0.24 and 0.75 ML this progression of binding site motifs is accompanied by two remarkable features in the ultrafast photoinduced desorption of the adsorbates: (i) the desorption probabilitymore » increases roughly two orders magnitude, and (ii) the adsorbate–substrate energy transfer rate observed in two-pulse correlation experiments varies nonmonotonically, having a minimum at intermediate coverages. Simulations using a phenomenological model to describe the adsorbate–substrate energy transfer in terms of frictional coupling indicate that these features are consistent with an adsorption-site dependent electron-mediated energy coupling strength, η el, that decreases with binding site in the order: three-fold hollow > bridge and near bridge > top site. This weakening of η el largely counterbalances the decrease in the desorption activation energy that accompanies this progression of adsorption site motifs, moderating what would otherwise be a rise of several orders of magnitude in the desorption probability. Within this framework, the observed energy transfer rate enhancement at saturation coverage is due to interadsorbate energy transfer from the copopulation of molecules bound in three-fold hollows to their top-site neighbors.« less

Comparison of heat transfer coefficients of open micro-channels and plain micro-fins

NASA Astrophysics Data System (ADS)

Kaniowski, Robert; Pastuszko, Robert

2018-06-01

The paper describes results of analysis of pool boiling heat transfer on enhanced surfaces. Two types of structural surfaces were used: open microchannel surfaces consisting of a system of parallel micro-channels 0.3 mm wide, from 0.2 to 0.5 mm deep and with a pitch of 0.6 mm, and plain micro-fins 0.5 mm in height, uniformly spaced on the base surface with a spacing from 0.6 to1.5 mm. Pool boiling data at atmospheric pressure were obtained for saturated water, ethanol and FC-72. The effects of micro-channel/micro-fin dimensions on heat transfer coefficient in nucleate pool boiling were examined. Substantial enhancement of heat transfer coefficient was observed.

The myth of plant species saturation

Treesearch

Thomas J. Stohlgren; David T. Barnett; Catherine S. Jarnevich; Curtis Flather; John Kartesz

2008-01-01

Plant species assemblages, communities or regional floras might be termed saturated when additional immigrant species are unsuccessful at establishing due to competitive exclusion or other inter-specific interactions, or when the immigration of species is off-set by extirpation of species. This is clearly not the case for state, regional or national floras in the USA...

PRO-QUEST: a rapid assessment method based on progressive saturation for quantifying exchange rates using saturation times in CEST.

PubMed

Demetriou, Eleni; Tachrount, Mohamed; Zaiss, Moritz; Shmueli, Karin; Golay, Xavier

2018-03-05

To develop a new MRI technique to rapidly measure exchange rates in CEST MRI. A novel pulse sequence for measuring chemical exchange rates through a progressive saturation recovery process, called PRO-QUEST (progressive saturation for quantifying exchange rates using saturation times), has been developed. Using this method, the water magnetization is sampled under non-steady-state conditions, and off-resonance saturation is interleaved with the acquisition of images obtained through a Look-Locker type of acquisition. A complete theoretical framework has been set up, and simple equations to obtain the exchange rates have been derived. A reduction of scan time from 58 to 16 minutes has been obtained using PRO-QUEST versus the standard QUEST. Maps of both T 1 of water and B 1 can simply be obtained by repetition of the sequence without off-resonance saturation pulses. Simulations and calculated exchange rates from experimental data using amino acids such as glutamate, glutamine, taurine, and alanine were compared and found to be in good agreement. The PRO-QUEST sequence was also applied on healthy and infarcted rats after 24 hours, and revealed that imaging specificity to ischemic acidification during stroke was substantially increased relative to standard amide proton transfer-weighted imaging. Because of the reduced scan time and insensitivity to nonchemical exchange factors such as direct water saturation, PRO-QUEST can serve as an excellent alternative for researchers and clinicians interested to map pH changes in vivo. © 2018 International Society for Magnetic Resonance in Medicine.

Simulated effects of nitrogen saturation the global carbon budget using the IBIS model

USGS Publications Warehouse

Lu, Xuehe; Jiang, Hong; Liu, Jinxun; Zhang, Xiuying; Jin, Jiaxin; Zhu, Qiuan; Zhang, Zhen; Peng, Changhui

2016-01-01

Over the past 100 years, human activity has greatly changed the rate of atmospheric N (nitrogen) deposition in terrestrial ecosystems, resulting in N saturation in some regions of the world. The contribution of N saturation to the global carbon budget remains uncertain due to the complicated nature of C-N (carbon-nitrogen) interactions and diverse geography. Although N deposition is included in most terrestrial ecosystem models, the effect of N saturation is frequently overlooked. In this study, the IBIS (Integrated BIosphere Simulator) was used to simulate the global-scale effects of N saturation during the period 1961–2009. The results of this model indicate that N saturation reduced global NPP (Net Primary Productivity) and NEP (Net Ecosystem Productivity) by 0.26 and 0.03 Pg C yr−1, respectively. The negative effects of N saturation on carbon sequestration occurred primarily in temperate forests and grasslands. In response to elevated CO2 levels, global N turnover slowed due to increased biomass growth, resulting in a decline in soil mineral N. These changes in N cycling reduced the impact of N saturation on the global carbon budget. However, elevated N deposition in certain regions may further alter N saturation and C-N coupling.

7T Magnetization Transfer and Chemical Exchange Saturation Transfer MRI of Cortical Gray Matter: Can We Detect Neurochemical and Macromolecular Abnormalities?

DTIC Science & Technology

2014-10-21

measures working memory • Trail making test (both A and B): measures planning/executive function • "Black Box” (choice reaction time, critical flicker ...associated with SIR imaging. The former of these was mitigated by developing a novel B+ and !1B insensitive in- version composite pulse (Fig. 2) and...employing a low-flip angle TFE readout; the latter was mitigated by the efficiency of the TFE readout along with additional protocol optimization

A Study of Waste-Heat-Boiler Size and Performance of a Conceptual Marine COGAS System.

DTIC Science & Technology

1980-02-01

The addition of a waste-heat boiler which extracts heat from the gas turbine exhaust gas to operate a bottoming Rankine cycle is one way to improve the...do not change significantly. Higher saturation pressure actually results in a somewhat lower boiler heat transfer, but the Rankine - cycle performance...of heat transferred in the waste-heat boiler and (2) the conversion efficiency of the Rankine cycle . In sizing the waste-heat boiler, attention was

Interaction of cholesterol with sphingomyelins and acyl-chain-matched phosphatidylcholines: a comparative study of the effect of the chain length.

PubMed Central

Ramstedt, B; Slotte, J P

1999-01-01

In this study we have synthesized sphingomyelins (SM) and phosphatidylcholines (PC) with amide-linked or sn-2 linked acyl chains with lengths from 14 to 24 carbons. The purpose was to examine how the chain length and degree of unsaturation affected the interaction of cholesterol with these phospholipids in model membrane systems. Monolayers of saturated SMs and PCs with acyl chain lengths above 14 carbons were condensed and displayed a high collapse pressure ( approximately 70 mN/m). Monolayers of N-14:0-SM and 1(16:0)-2(14:0)-PC had a much lower collapse pressure (58-60 mN/m) and monounsaturated SMs collapsed at approximately 50 mN/m. The relative interaction of cholesterol with these phospholipids was determined at 22 degreesC by measuring the rate of cholesterol desorption from mixed monolayers (50 mol % cholesterol; 20 mN/m) to beta-cyclodextrin in the subphase (1.7 mM). The rate of cholesterol desorption was lower from saturated SM monolayers than from chain-matched PC monolayers. In SM monolayers, the rate of cholesterol desorption was very slow for all N-linked chains, whereas for PC monolayers we could observe higher desorption rates from monolayers of longer PCs. These results show that cholesterol interacts favorably with SMs (low rate of desorption), whereas its interaction (or miscibility) with long chain PCs is weaker. Introduction of a single cis-unsaturation in the N-linked acyl chain of SMs led to faster rates of cholesterol desorption as compared with saturated SMs. The exception was monolayers of N-22:1-SM and N-24:1-SM from which cholesterol desorbed almost as slowly as from the corresponding saturated SM monolayers. The results of this study suggest that cholesterol is most likely capable of interacting with all physiologically relevant (including long-chain) SMs present in the plasma membrane of cells. PMID:9929492

Investigations of the role of nonlinear couplings in structure formation and transport regulation in plasma turbulence

NASA Astrophysics Data System (ADS)

Holland, Christopher George

Studies of nonlinear couplings and dynamics in plasma turbulence are presented. Particular areas of focus are analytic studies of coherent structure formation in electron temperature gradient turbulence, measurement of nonlinear energy transfer in simulations of plasma turbulence, and bispectral analysis of experimental and computational data. The motivation for these works has been to develop and expand the existing theories of plasma transport, and verify the nonlinear predictions of those theories in simulation and experiment. In Chapter II, we study electromagnetic secondary instabilities of electron temperature gradient turbulence. The growth rate for zonal flow generation via modulational instability of electromagnetic ETG turbulence is calculated, as well as that for zonal (magnetic) field generation. In Chapter III, the stability and saturation of streamers in ETG turbulence is considered, and shown to depend sensitively upon geometry and the damping rates of the Kelvin-Helmholtz mode. Requirements for a credible theory of streamer transport are presented. In addition, a self-consistent model for interactions between ETG and ITG (ion temperature gradient) turbulence is presented. In Chapter IV, the nonlinear transfer of kinetic and internal energy is measured in simulations of plasma turbulence. The regulation of turbulence by radial decorrelation due to zonal flows and generation of zonal flows via the Reynolds stress are explicitly demonstrated, and shown to be symmetric facets of a single nonlinear process. Novel nonlinear saturation mechanisms for zonal flows are discussed. In Chapter V, measurements of fluctuation bicoherence in the edge of the DIII-D tokamak are presented. It is shown that the bicoherence increases transiently before a L-H transition, and decays to its initial value after the barrier has formed. The increase in bicoherence is localized to the region where the transport barrier forms, and shows strong coupling between well-separated frequencies. These results are qualitatively reproduced in a simple numerical "thought experiment," described in Chapter VI, which suggests that zonal flows may trigger the L-H transition.

The role of the C8 proton of ATP in the catalysis of shikimate kinase and adenylate kinase

PubMed Central

2012-01-01

Background It has been demonstrated that the adenyl moiety of ATP plays a direct role in the regulation of ATP binding and/or phosphoryl transfer within a range of kinase and synthetase enzymes. The role of the C8-H of ATP in the binding and/or phosphoryl transfer on the enzyme activity of a number of kinase and synthetase enzymes has been elucidated. The intrinsic catalysis rate mediated by each kinase enzyme is complex, yielding apparent KM values ranging from less than 0.4 μM to more than 1 mM for ATP in the various kinases. Using a combination of ATP deuterated at the C8 position (C8D-ATP) as a molecular probe with site directed mutagenesis (SDM) of conserved amino acid residues in shikimate kinase and adenylate kinase active sites, we have elucidated a mechanism by which the ATP C8-H is induced to be labile in the broader kinase family. We have demonstrated the direct role of the C8-H in the rate of ATP consumption, and the direct role played by conserved Thr residues interacting with the C8-H. The mechanism by which the vast range in KM might be achieved is also suggested by these findings. Results We have demonstrated the mechanism by which the enzyme activities of Group 2 kinases, shikimate kinase (SK) and adenylate kinase 1 (AK1), are controlled by the C8-H of ATP. Mutations of the conserved threonine residues associated with the labile C8-H cause the enzymes to lose their saturation kinetics over the concentration range tested. The relationship between the role C8-H of ATP in the reaction mechanism and the ATP concentration as they influence the saturation kinetics of the enzyme activity is also shown. The SDM clearly identified the amino acid residues involved in both the catalysis and regulation of phosphoryl transfer in SK and AK1 as mediated by C8H-ATP. Conclusions The data outlined serves to demonstrate the “push” mechanism associated with the control of the saturation kinetics of Group 2 kinases mediated by ATP C8-H. It is therefore conceivable that kinase enzymes achieve the observed 2,500-fold variation in KM through a combination of the various conserved “push” and “pull” mechanisms associated with the release of C8-H, the proton transfer cascades unique to the class of kinase in question and the resultant/concomitant creation of a pentavalent species from the γ-phosphate group of ATP. Also demonstrated is the interplay between the role of the C8-H of ATP and the ATP concentration in the observed enzyme activity. The lability of the C8-H mediated by active site residues co-ordinated to the purine ring of ATP therefore plays a significant role in explaining the broad KM range associated with kinase steady state enzyme activities. PMID:22876783

Quantitative Robust Control Engineering: Theory and Applications

DTIC Science & Technology

2006-09-01

30]. Gutman, PO., Baril , C. Neuman, L. (1994), An algorithm for computing value sets of uncertain transfer functions in factored real form...linear compensation design for saturating unstable uncertain plants. Int. J. Control, Vol. 44, pp. 1137-1146. [90]. Oldak S., Baril C. and Gutman

The statistical overlap theory of chromatography using power law (fractal) statistics.

PubMed

Schure, Mark R; Davis, Joe M

2011-12-30

The chromatographic dimensionality was recently proposed as a measure of retention time spacing based on a power law (fractal) distribution. Using this model, a statistical overlap theory (SOT) for chromatographic peaks is developed that estimates the number of peak maxima as a function of the chromatographic dimension, saturation and scale. Power law models exhibit a threshold region whereby below a critical saturation value no loss of peak maxima due to peak fusion occurs as saturation increases. At moderate saturation, behavior is similar to the random (Poisson) peak model. At still higher saturation, the power law model shows loss of peaks nearly independent of the scale and dimension of the model. The physicochemical meaning of the power law scale parameter is discussed and shown to be equal to the Boltzmann-weighted free energy of transfer over the scale limits. The scale is discussed. Small scale range (small β) is shown to generate more uniform chromatograms. Large scale range chromatograms (large β) are shown to give occasional large excursions of retention times; this is a property of power laws where "wild" behavior is noted to occasionally occur. Both cases are shown to be useful depending on the chromatographic saturation. A scale-invariant model of the SOT shows very simple relationships between the fraction of peak maxima and the saturation, peak width and number of theoretical plates. These equations provide much insight into separations which follow power law statistics. Copyright © 2011 Elsevier B.V. All rights reserved.

Numerical Modeling of Saturated Boiling in a Heated Tube

NASA Technical Reports Server (NTRS)

Majumdar, Alok; LeClair, Andre; Hartwig, Jason

2017-01-01

This paper describes a mathematical formulation and numerical solution of boiling in a heated tube. The mathematical formulation involves a discretization of the tube into a flow network consisting of fluid nodes and branches and a thermal network consisting of solid nodes and conductors. In the fluid network, the mass, momentum and energy conservation equations are solved and in the thermal network, the energy conservation equation of solids is solved. A pressure-based, finite-volume formulation has been used to solve the equations in the fluid network. The system of equations is solved by a hybrid numerical scheme which solves the mass and momentum conservation equations by a simultaneous Newton-Raphson method and the energy conservation equation by a successive substitution method. The fluid network and thermal network are coupled through heat transfer between the solid and fluid nodes which is computed by Chen's correlation of saturated boiling heat transfer. The computer model is developed using the Generalized Fluid System Simulation Program and the numerical predictions are compared with test data.

About one discrete model of splitting by the physical processes of a piezoconductive medium with gas hydrate inclusions

NASA Astrophysics Data System (ADS)

Poveshchenko, Yu A.; Podryga, V. O.; Rahimly, P. I.; Sharova, Yu S.

2018-01-01

The thermodynamically equilibrium model for splitting by the physical processes of a two-component three-phase filtration fluid dynamics with gas hydrate inclusions is considered in the paper, for which a family of two-layer completely conservative difference schemes of the support operators method with time weights profiled in space is constructed. On the irregular grids of the theory of the support-operators method applied to the specifics of the processes of transfer of saturations and internal energies of water and gas in a medium with gas hydrate inclusions, methods of directwind approximation of these processes are considered. These approximations preserve the continual properties of divergence-gradient operations in their difference form and are related to the velocity field providing saturations transfer and internal energies of fluids. Fluid dynamics with gas hydrate inclusions are also calculated on the basis of the proposed approach, in particular, in areas of severe pressure depression in the collector space.

Acute medical complications in patients admitted to a stroke unit and safe transfer to rehabilitation.

PubMed

Bonaiuti, Donatella; Sioli, Paolo; Fumagalli, Lorenzo; Beghi, Ettore; Agostoni, Elio

2011-08-01

Acute medical complications often prevent patients with stroke from being transferred from stroke units to rehabilitation units, prolonging the occupation of hospital beds and delaying the start of intensive rehabilitation. This study defined incidence, timing, duration and risk factors of these complications during the acute phase of stroke. A retrospective case note review was made of hospital admissions of patients with stroke not associated with other disabling conditions, admitted to a stroke unit over 12 months and requiring rehabilitation for gait impairment. In this cohort, a search was made of hypertension, oxygen de-saturation, fever, and cardiac and pulmonary symptoms requiring medical intervention. Included were 135 patients. Hypertension was the most common complication (16.3%), followed by heart disease (14.8%), oxygen de-saturation (7.4%), fever (6.7%) and pulmonary disease (5.2%). Heart disease was the earliest and shortest complication. Most complications occurred during the first week. Except for hypertension, all complications resolved within 2 weeks.

Image transfer properties by photonic crystal slab with negative refractive index

NASA Astrophysics Data System (ADS)

Chen, Hongbo; Chen, Xiaoshuang; Zhou, Renlong; Lu, Wei

2008-04-01

We have studied the properties of image transferred by photonic crystal (PhC) slab with negative refractive index n=-1 and confirmed the negative refractive phonomenon, but not found the saturated image properties as expected. It is found that real images will not be formed when the source distance larger than the thickness of PhC, and the transferred images are virtual images. Furthermore, comparing the quality of images transferred by a PhC slab and a cascaded stack of photonic crystal slab (CSPS), we found that the transferred images are distorted in both situations. The image resolution is good along the direction parallel to the slab interface, but bad along the direction normal to the slab interface. Simulation results show that the image formed by a CSPS is no better than a PhC slab.

Designing interfaces of hydrogenase-nanomaterial hybrids for efficient solar conversion.

PubMed

King, Paul W

2013-01-01

The direct conversion of sunlight into biofuels is an intriguing alternative to a continued reliance on fossil fuels. Natural photosynthesis has long been investigated both as a potential solution, and as a model for utilizing solar energy to drive a water-to-fuel cycle. The molecules and organizational structure provide a template to inspire the design of efficient molecular systems for photocatalysis. A clear design strategy is the coordination of molecular interactions that match kinetic rates and energetic levels to control the direction and flow of energy from light harvesting to catalysis. Energy transduction and electron-transfer reactions occur through interfaces formed between complexes of donor-acceptor molecules. Although the structures of several of the key biological complexes have been solved, detailed descriptions of many electron-transfer complexes are lacking, which presents a challenge to designing and engineering biomolecular systems for solar conversion. Alternatively, it is possible to couple the catalytic power of biological enzymes to light harvesting by semiconductor nanomaterials. In these molecules, surface chemistry and structure can be designed using ligands. The passivation effect of the ligand can also dramatically affect the photophysical properties of the semiconductor, and energetics of external charge-transfer. The length, degree of bond saturation (aromaticity), and solvent exposed functional groups of ligands can be manipulated to further tune the interface to control molecular assembly, and complex stability in photocatalytic hybrids. The results of this research show how ligand selection is critical to designing molecular interfaces that promote efficient self-assembly, charge-transfer and photocatalysis. This article is part of a Special Issue entitled: Metals in Bioenergetics and Biomimetics Systems. Copyright © 2013 Elsevier B.V. All rights reserved.

Stochastic Convection Parameterizations

NASA Technical Reports Server (NTRS)

Teixeira, Joao; Reynolds, Carolyn; Suselj, Kay; Matheou, Georgios

2012-01-01

computational fluid dynamics, radiation, clouds, turbulence, convection, gravity waves, surface interaction, radiation interaction, cloud and aerosol microphysics, complexity (vegetation, biogeochemistry, radiation versus turbulence/convection stochastic approach, non-linearities, Monte Carlo, high resolutions, large-Eddy Simulations, cloud structure, plumes, saturation in tropics, forecasting, parameterizations, stochastic, radiation-clod interaction, hurricane forecasts

Tensor Fermi liquid parameters in nuclear matter from chiral effective field theory

NASA Astrophysics Data System (ADS)

Holt, J. W.; Kaiser, N.; Whitehead, T. R.

2018-05-01

We compute from chiral two- and three-body forces the complete quasiparticle interaction in symmetric nuclear matter up to twice nuclear matter saturation density. Second-order perturbative contributions that account for Pauli blocking and medium polarization are included, allowing for an exploration of the full set of central and noncentral operator structures permitted by symmetries and the long-wavelength limit. At the Hartree-Fock level, the next-to-next-to-leading order three-nucleon force contributes to all noncentral interactions, and their strengths grow approximately linearly with the nucleon density up to that of saturated nuclear matter. Three-body forces are shown to enhance the already strong proton-neutron effective tensor interaction, while the corresponding like-particle tensor force remains small. We also find a large isovector cross-vector interaction but small center-of-mass tensor interactions in the isoscalar and isovector channels. The convergence of the expansion of the noncentral quasiparticle interaction in Landau parameters and Legendre polynomials is studied in detail.

Titration calorimetry of anesthetic-protein interaction: negative enthalpy of binding and anesthetic potency.

PubMed

Ueda, I; Yamanaka, M

1997-04-01

Anesthetic potency increases at lower temperatures. In contrast, the transfer enthalpy of volatile anesthetics from water to macromolecules is usually positive. The transfer decreases at lower temperature. It was proposed that a few selective proteins bind volatile anesthetics with negative delta H, and these proteins are involved in signal transduction. There has been no report on direct estimation of binding delta H of anesthetics to proteins. This study used isothermal titration calorimetry to analyze chloroform binding to bovine serum albumin. The calorimetrically measured delta H cal was -10.37 kJ.mol-1. Thus the negative delta H of anesthetic binding is not limited to signal transduction proteins. The binding was saturable following Fermi-Dirac statistics and is characterized by the Langmuir adsorption isotherms, which is interfacial. The high-affinity association constant, K, was 2150 +/- 132 M-1 (KD = 0.47 mM) with the maximum binding number, Bmax = 3.7 +/- 0.2. The low-affinity K was 189 +/- 3.8 M-1 (KD = 5.29 mM), with a Bmax of 13.2 +/- 0.3. Anesthetic potency is a function of the activity of anesthetic molecules, not the concentration. Because the sign of delta H determines the temperature dependence of distribution of anesthetic molecules, it is irrelevant to the temperature dependence of anesthetic potency.

Titration calorimetry of anesthetic-protein interaction: negative enthalpy of binding and anesthetic potency.

PubMed Central

Ueda, I; Yamanaka, M

1997-01-01

Anesthetic potency increases at lower temperatures. In contrast, the transfer enthalpy of volatile anesthetics from water to macromolecules is usually positive. The transfer decreases at lower temperature. It was proposed that a few selective proteins bind volatile anesthetics with negative delta H, and these proteins are involved in signal transduction. There has been no report on direct estimation of binding delta H of anesthetics to proteins. This study used isothermal titration calorimetry to analyze chloroform binding to bovine serum albumin. The calorimetrically measured delta H cal was -10.37 kJ.mol-1. Thus the negative delta H of anesthetic binding is not limited to signal transduction proteins. The binding was saturable following Fermi-Dirac statistics and is characterized by the Langmuir adsorption isotherms, which is interfacial. The high-affinity association constant, K, was 2150 +/- 132 M-1 (KD = 0.47 mM) with the maximum binding number, Bmax = 3.7 +/- 0.2. The low-affinity K was 189 +/- 3.8 M-1 (KD = 5.29 mM), with a Bmax of 13.2 +/- 0.3. Anesthetic potency is a function of the activity of anesthetic molecules, not the concentration. Because the sign of delta H determines the temperature dependence of distribution of anesthetic molecules, it is irrelevant to the temperature dependence of anesthetic potency. PMID:9083685

Localization of Ubiquinone-8 in the Na+-pumping NADH:Quinone Oxidoreductase from Vibrio cholerae*

PubMed Central

Casutt, Marco S.; Nedielkov, Ruslan; Wendelspiess, Severin; Vossler, Sara; Gerken, Uwe; Murai, Masatoshi; Miyoshi, Hideto; Möller, Heiko M.; Steuber, Julia

2011-01-01

Na+ is the second major coupling ion at membranes after protons, and many pathogenic bacteria use the sodium-motive force to their advantage. A prominent example is Vibrio cholerae, which relies on the Na+-pumping NADH:quinone oxidoreductase (Na+-NQR) as the first complex in its respiratory chain. The Na+-NQR is a multisubunit, membrane-embedded NADH dehydrogenase that oxidizes NADH and reduces quinone to quinol. Existing models describing redox-driven Na+ translocation by the Na+-NQR are based on the assumption that the pump contains four flavins and one FeS cluster. Here we show that the large, peripheral NqrA subunit of the Na+-NQR binds one molecule of ubiquinone-8. Investigations of the dynamic interaction of NqrA with quinones by surface plasmon resonance and saturation transfer difference NMR reveal a high affinity, which is determined by the methoxy groups at the C-2 and C-3 positions of the quinone headgroup. Using photoactivatable quinone derivatives, it is demonstrated that ubiquinone-8 bound to NqrA occupies a functional site. A novel scheme of electron transfer in Na+-NQR is proposed that is initiated by NADH oxidation on subunit NqrF and leads to quinol formation on subunit NqrA. PMID:21885438

Magneto-photocurrent in organic photovoltaic cells; the effect of short-lived charge transfer states

NASA Astrophysics Data System (ADS)

Ehrenfreund, Eitan; Devir-Wolfman, A.; Khachatryan, B.; Gautam, B.; Tessler, N.; Vardeny, Z. V.

2014-03-01

The spin degrees of freedom are responsible for the magnetic field effects in organic devices at low magnetic fields. The MFE is formed via a variety of spin-mixing mechanisms, such as the hyperfine (typical strength: Bhf<0.003 T), triplet-polaron or triplet-triplet (Btrip<0.1 T) interactions, that limit the response by their respective strength. We report on magneto-photocurrent (MPC) response of bulk hetero-junction organic photovoltaic cells in an extended field range B =0.00005 - 8 Tesla, and found that spin mixing mechanisms are still operative even at the highest fields. In fact, the response MPC(B) can be divided into three main regions, each with a different sign: sharp response that increases with B up to B1 ~ 0.04 T; broad response that decreases with B in the range from B1 to B2 ~ 0.3-0.7 T; and even broader response that increases above B2; this response does not saturate even at 8.5 T. We attribute the latter MPC component to short-lived charge transfer excitons (CTE) where spin-mixing is caused by the difference of the donor/acceptor g factors; a mechanism that is increasingly more effective at high magnetic field. Supported by the US-Israel BSF.

Effect of Capacitive and Resistive electric transfer on haemoglobin saturation and tissue temperature.

PubMed

Tashiro, Yuto; Hasegawa, Satoshi; Yokota, Yuki; Nishiguchi, Shu; Fukutani, Naoto; Shirooka, Hidehiko; Tasaka, Seishiro; Matsushita, Tomofumi; Matsubara, Keisuke; Nakayama, Yasuaki; Sonoda, Takuya; Tsuboyama, Tadao; Aoyama, Tomoki

2017-09-01

This study aims to evaluate the effects of Capacitive and Resistive electric transfer (CRet) and hotpack (HP) on haemoglobin saturation and tissue temperature. The participants were 13 healthy males (mean age 24.5 ± 3.0). They underwent three interventions on different days: (1) CRet (CRet group), (2) HP (HP group) and (3) CRet without power (sham group). The intervention and measurement were applied at the lower paraspinal muscle. Indiba ® active ProRecovery HCR902 was used in the CRet group, and the moist heat method was used in the HP group. Oxygenated, deoxygenated and total haemoglobin (oxy-Hb, deoxy-Hb, total-Hb) counts were measured before and after the 15-min interventions, together with the temperature at the skin surface, and at depths of 10 mm and 20 mm (ST, 10mmDT and 20mmDT, respectively). The haemoglobin saturation and tissue temperature were measured until 30 min after the intervention and were collected at 5-min intervals. Statistical analysis was performed for each index by using the Mann-Whitney U test for comparisons between all groups at each time point. Total-Hb and oxy-Hb were significantly higher in the CRet group than in the HP group continuously for 30 min after the intervention. The 10mmDT and 20mmDT were significantly higher in the CRet group than in the HP group from 10- to 30 min after intervention. The effect on haemoglobin saturation was higher in the CRet group than in the HP group. In addition, the CRet intervention warmed deep tissue more effectively than HP intervention.

Dynamics of energy transfer from lycopene to bacteriochlorophyll in genetically-modified LH2 complexes of Rhodobacter sphaeroides.

PubMed

Hörvin Billsten, H; Herek, J L; Garcia-Asua, G; Hashøj, L; Polívka, T; Hunter, C N; Sundström, V

2002-03-26

LH2 complexes from Rb. sphaeroides were modified genetically so that lycopene, with 11 saturated double bonds, replaced the native carotenoids which contain 10 saturated double bonds. Tuning the S1 level of the carotenoid in LH2 in this way affected the dynamics of energy transfer within LH2, which were investigated using both steady-state and time-resolved techniques. The S1 energy of lycopene in n-hexane was determined to be approximately 12 500 +/- 150 cm(-1), by direct measurement of the S1-S2 transient absorption spectrum using a femtosecond IR-probing technique, thus placing an upper limit on the S1 energy of lycopene in the LH2 complex. Fluorescence emission and excitation spectra demonstrated that energy can be transferred from lycopene to the bacteriochlorophyll molecules within this LH2 complex. The energy-transfer dynamics within the mutant complex were compared to wild-type LH2 from Rb. sphaeroides containing the carotenoid spheroidene and from Rs. molischianum, in which lycopene is the native carotenoid. The results show that the overall efficiency for Crt --> B850 energy transfer is approximately 80% in lyco-LH2 and approximately 95% in WT-LH2 of Rb. sphaeroides. The difference in overall Crt --> BChl transfer efficiency of lyco-LH2 and WT-LH2 mainly relates to the low efficiency of the Crt S(1) --> BChl pathway for complexes containing lycopene, which was 20% in lyco-LH2. These results show that in an LH2 complex where the Crt S1 energy is sufficiently high to provide efficient spectral overlap with both B800 and B850 Q(y) states, energy transfer via the Crt S1 state occurs to both pigments. However, the introduction of lycopene into the Rb. sphaeroides LH2 complex lowers the S1 level of the carotenoid sufficiently to prevent efficient transfer of energy to the B800 Q(y) state, leaving only the Crt S1 --> B850 channel, strongly suggesting that Crt S1 --> BChl energy transfer is controlled by the relative Crt S1 and BChl Q(y) energies.

Numerical simulations of stick-slip in fluid saturated granular fault gouge

NASA Astrophysics Data System (ADS)

Dorostkar, O.; Johnson, P. A.; Guyer, R. A.; Marone, C.; Carmeliet, J.

2016-12-01

Fluids play a key role in determining the frictional strength and stability of faults. For example, fluid flow and fluid-solid interaction in fault gouge can trigger seismicity, alter earthquake nucleation properties and cause fault zone weakening. We present results of 3D numerical simulations of stick-slip behavior in dry and saturated granular fault gouge. In the saturated case, the gouge is fully saturated and drainage is possible through the boundaries. We model the solid phase (particles) with the discrete element method (DEM) while the fluid is described by the Navier-Stokes equations and solved by computational fluid dynamics (CFD). In our model, granular gouge is sheared between two rough plates under boundary conditions of constant normal stress and constant shearing velocity at the layer boundaries. A phase-space study including shearing velocity and normal stress is taken to identify the conditions for stick-slip regime. We analyzed slip events for dry and saturated cases to determine shear stress drop, released kinetic energy and compaction. The presence of fluid tends to cause larger slip events. We observe a close correlation between the kinetic energy of the particles and of the fluid. In short, during slip, fluid flow induced by the failure and compaction of the granular system, mobilizes the particles, which increases their kinetic energy, leading to greater slip. We further observe that the solid-fluid interaction forces are equal or larger than the solid-solid interaction forces during the slip event, indicating the important influence of the fluid on the granular system. Our simulations can explain the behaviors observed in experimental studies and we are working to apply our results to tectonic faults.

Multistability of second-order competitive neural networks with nondecreasing saturated activation functions.

PubMed

Nie, Xiaobing; Cao, Jinde

2011-11-01

In this paper, second-order interactions are introduced into competitive neural networks (NNs) and the multistability is discussed for second-order competitive NNs (SOCNNs) with nondecreasing saturated activation functions. Firstly, based on decomposition of state space, Cauchy convergence principle, and inequality technique, some sufficient conditions ensuring the local exponential stability of 2N equilibrium points are derived. Secondly, some conditions are obtained for ascertaining equilibrium points to be locally exponentially stable and to be located in any designated region. Thirdly, the theory is extended to more general saturated activation functions with 2r corner points and a sufficient criterion is given under which the SOCNNs can have (r+1)N locally exponentially stable equilibrium points. Even if there is no second-order interactions, the obtained results are less restrictive than those in some recent works. Finally, three examples with their simulations are presented to verify the theoretical analysis.

Perturbation of longitudinal relaxation rate in rotating frame (PLRF) analysis for quantification of chemical exchange saturation transfer signal in a transient state.

PubMed

Wang, Yi; Zhang, Yaoyu; Zhao, Xuna; Wu, Bing; Gao, Jia-Hong

2017-11-01

To develop a novel analytical method for quantification of chemical exchange saturation transfer (CEST) in the transient state. The proposed method aims to reduce the effects of non-chemical-exchange (non-CE) parameters on the CEST signal, emphasizing the effect of chemical exchange. The difference in the longitudinal relaxation rate in the rotating frame ( ΔR1ρ) was calculated based on perturbation of the Z-value by R1ρ, and a saturation-pulse-amplitude-compensated exchange-dependent relaxation rate (SPACER) was determined with a high-exchange-rate approximation. In both phantom and human subject experiments, MTRasym (representative of the traditional CEST index), ΔR1ρ, and SPACER were measured, evaluated, and compared by altering the non-CE parameters in a transient-state continuous-wave CEST sequence. In line with the theoretical expectation, our experimental data demonstrate that the effects of the non-CE parameters can be more effectively reduced using the proposed indices (  ΔR1ρ and SPACER) than using the traditional CEST index ( MTRasym). The proposed method allows for the chemical exchange weight to be better emphasized in the transient-state CEST signal, which is beneficial, in practice, for quantifying the CEST signal. Magn Reson Med 78:1711-1723, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Quantitative chemical exchange saturation transfer (qCEST) MRI - omega plot analysis of RF-spillover-corrected inverse CEST ratio asymmetry for simultaneous determination of labile proton ratio and exchange rate.

PubMed

Wu, Renhua; Xiao, Gang; Zhou, Iris Yuwen; Ran, Chongzhao; Sun, Phillip Zhe

2015-03-01

Chemical exchange saturation transfer (CEST) MRI is sensitive to labile proton concentration and exchange rate, thus allowing measurement of dilute CEST agent and microenvironmental properties. However, CEST measurement depends not only on the CEST agent properties but also on the experimental conditions. Quantitative CEST (qCEST) analysis has been proposed to address the limitation of the commonly used simplistic CEST-weighted calculation. Recent research has shown that the concomitant direct RF saturation (spillover) effect can be corrected using an inverse CEST ratio calculation. We postulated that a simplified qCEST analysis is feasible with omega plot analysis of the inverse CEST asymmetry calculation. Specifically, simulations showed that the numerically derived labile proton ratio and exchange rate were in good agreement with input values. In addition, the qCEST analysis was confirmed experimentally in a phantom with concurrent variation in CEST agent concentration and pH. Also, we demonstrated that the derived labile proton ratio increased linearly with creatine concentration (P < 0.01) while the pH-dependent exchange rate followed a dominantly base-catalyzed exchange relationship (P < 0.01). In summary, our study verified that a simplified qCEST analysis can simultaneously determine labile proton ratio and exchange rate in a relatively complex in vitro CEST system. Copyright © 2015 John Wiley & Sons, Ltd.

Evaluation and testing of a lightweight fine aggregate concrete bridge deck in Buchanan County, Iowa : tech transfer summaries.

DOT National Transportation Integrated Search

2016-05-01

Using saturated lightweight fine aggregate (LWFA) in concrete mixtures : can replenish water that is depleted during cement hydration without : influencing the water-to-cement (w/c) ratio. This process, known as : internal curing (IC), can contribute...

Liquid Transfer Cryogenic Test Facility: Initial hydrogen and nitrogen no-vent fill data

NASA Astrophysics Data System (ADS)

Moran, Matthew E.; Nyland, Ted W.; Papell, S. Stephen

1990-03-01

The Liquid Transfer Cryogenic Test Facility is a versatile testbed for ground-based cryogenic fluid storage, handling, and transfer experimentation. The test rig contains two well instrumented tanks, and a third interchangeable tank, designed to accommodate liquid nitrogen or liquid hydrogen testing. The internal tank volumes are approx. 18, 5, and 1.2 cu. ft. Tank pressures can be varied from 2 to 30 psia. Preliminary no vent fill tests with nitrogen and hydrogen were successfully completed with the test rig. Initial results indicate that no vent fills of nitrogen above 90 percent full are achievable using this test configuration, in a 1-g environment, and with inlet liquid temperatures as high as 143 R, and an average tank wall temperature of nearly 300 R. This inlet temperature corresponds to a saturation pressure of 19 psia for nitrogen. Hydrogen proved considerably more difficult to transfer between tanks without venting. The highest temperature conditions resulting in a fill level greater than 90 percent were with an inlet liquid temperature of 34 R, and an estimated tank wall temperature of slightly more than 100 R. Saturation pressure for hydrogen at this inlet temperature is 10 psia. All preliminary no vent fill tests were performed with a top mounted full cone nozzle for liquid injection. The nozzle produces a 120 degree conical droplet spray at a differential pressure of 10 psi. Pressure in the receiving tank was held to less than 30 psia for all tests.

Liquid Transfer Cryogenic Test Facility: Initial hydrogen and nitrogen no-vent fill data

NASA Technical Reports Server (NTRS)

Moran, Matthew E.; Nyland, Ted W.; Papell, S. Stephen

1990-01-01

The Liquid Transfer Cryogenic Test Facility is a versatile testbed for ground-based cryogenic fluid storage, handling, and transfer experimentation. The test rig contains two well instrumented tanks, and a third interchangeable tank, designed to accommodate liquid nitrogen or liquid hydrogen testing. The internal tank volumes are approx. 18, 5, and 1.2 cu. ft. Tank pressures can be varied from 2 to 30 psia. Preliminary no vent fill tests with nitrogen and hydrogen were successfully completed with the test rig. Initial results indicate that no vent fills of nitrogen above 90 percent full are achievable using this test configuration, in a 1-g environment, and with inlet liquid temperatures as high as 143 R, and an average tank wall temperature of nearly 300 R. This inlet temperature corresponds to a saturation pressure of 19 psia for nitrogen. Hydrogen proved considerably more difficult to transfer between tanks without venting. The highest temperature conditions resulting in a fill level greater than 90 percent were with an inlet liquid temperature of 34 R, and an estimated tank wall temperature of slightly more than 100 R. Saturation pressure for hydrogen at this inlet temperature is 10 psia. All preliminary no vent fill tests were performed with a top mounted full cone nozzle for liquid injection. The nozzle produces a 120 degree conical droplet spray at a differential pressure of 10 psi. Pressure in the receiving tank was held to less than 30 psia for all tests.

Induced polarization: Simulation and inversion of nonlinear mineral electrodics

NASA Astrophysics Data System (ADS)

Agunloye, Olu

1983-02-01

Graph-theoretic representations are used to model nonlinear electrodics, while forward and inverse simulations are based on reaction rate theory. The electrodic responses are presented as distorted elliptical Lissajous shapes obtained from dynamic impedance over a full cycle. Simulations show that asymmetry in reaction energy barrier causes slight asymmetry in the shape of the response ellipse and hardly affects the phase angle of the complex electrode impedance. The charge transfer resistance and the diffusion constraints tend to have opposite effects. The former causes reduction in the phase angle, tending to make the impedance purely resistive. Both of these mechanisms show saturation effects. Charge transfer resistance at its limit forces a thin S-type symmetry on the Lissajous patterns, while with diffusion control the size of the Lissajous patterns begins to reduce after saturation. The fixed layer causes substantial increase in the phase angle and tends to “enlarge” the Lissajous patterns. It is responsible for the hysteresis-like shapes of the Lissajous patterns when superimposed on strong charge transfer resistance. This study shows that it is quite possible to deduce the mechanisms that control the electrodic processes by inverting electrodic parameters from “observed” distorted, nonelliptical Lissajous patterns characteristic of nonlinear electrodics. The results and qualities of the inversion technique are discussed.

Investigation of the kinetic mechanism of the demanganization reaction between carbon-saturated liquid iron and CaF2-CaO-SiO2-based slags

NASA Astrophysics Data System (ADS)

Duan, Sheng-chao; Li, Chuang; Guo, Han-jie; Guo, Jing; Han, Shao-wei; Yang, Wen-sheng

2018-04-01

The demanganization reaction kinetics of carbon-saturated liquid iron with an eight-component slag consisting of CaO-SiO2-MgO-FeO-MnO-Al2O3-TiO2-CaF2 was investigated at 1553, 1623, and 1673 K in this study. The rate-controlling step (RCS) for the demanganization reaction with regard to the hot metal pretreatment conditions was studied via kinetics analysis based on the fundamental equation of heterogeneous reaction kinetics. From the temperature dependence of the mass transfer coefficient of a transition-metal oxide (MnO), the apparent activation energy of the demanganization reaction was estimated to be 189.46 kJ·mol-1 in the current study, which indicated that the mass transfer of MnO in the molten slag controlled the overall rate of the demanganization reaction. The calculated apparent activation energy was slightly lower than the values reported in the literature for mass transfer in a slag phase. This difference was attributed to an increase in the "specific reaction interface" (SRI) value, either as a result of turbulence at the reaction interface or a decrease of the absolute amount of slag phase during sampling, and to the addition of calcium fluoride to the slag.

Composition, structure and substrate properties of reconstituted discoidal HDL with apolipoprotein A-I and cholesteryl ester

NASA Astrophysics Data System (ADS)

Dergunov, Alexander D.; Shabrova, Elena V.; Dobretsov, Gennady E.

2010-03-01

To investigate the influence of lipid unsaturation and neutral lipid on the maturation of high density lipoproteins, the discoidal complexes of apoA-I, phosphatidylcholine and cholesteryl ester (CE) were prepared. Saturated dipalmitoylphosphatidylcholine (DPPC) and unsaturated palmitoyllinoleoylphosphatidylcholine (PLPC), palmitoyloleoylphosphatidylcholine (POPC), and fluorescent probe cholesteryl 1-pyrenedecanoate (CPD) that forms in a diffusion- and concentration-dependent manner short-lived dimer of unexcited and excited molecules (excimer) were used. The apoA-I/DPPC/CPD complexes were heterogeneous by size, composition and probe location. CPD molecules incorporated more efficiently into larger complexes and accumulated in a central part of the discs. The apoA-I/POPC(PLPC)/CPD were also heterogeneous, however, probe molecules distributed preferentially into smaller complexes and accumulated at disc periphery. The kinetics of CPD transfer by recombinant cholesteryl ester transfer protein (CETP) to human plasma LDL is well described by two-exponential decay, the fast component with a shorter transfer time being more populated in PLPC compared to DPPC complexes. The presence of CE molecules in discoidal HDL results in particle heterogeneity. ApoA-I influences the CETP activity modulating the properties of apolipoprotein-phospholipid interface. This may include CE molecules accumulation in the boundary lipid in unsaturated phosphatidylcholine and cluster formation in the bulk bilayer in saturated phosphatidylcholine.

Swash saturation: an assessment of available models

NASA Astrophysics Data System (ADS)

Hughes, Michael G.; Baldock, Tom E.; Aagaard, Troels

2018-06-01

An extensive previously published (Hughes et al. Mar Geol 355, 88-97, 2014) field data set representing the full range of micro-tidal beach states (reflective, intermediate and dissipative) is used to investigate swash saturation. Two models that predict the behavior of saturated swash are tested: one driven by standing waves and the other driven by bores. Despite being based on entirely different premises, they predict similar trends in the limiting (saturated) swash height with respect to dependency on frequency and beach gradient. For a given frequency and beach gradient, however, the bore-driven model predicts a larger saturated swash height by a factor 2.5. Both models broadly predict the general behavior of swash saturation evident in the data, but neither model is accurate in detail. While swash saturation in the short-wave frequency band is common on some beach types, it does not always occur across all beach types. Further work is required on wave reflection/breaking and the role of wave-wave and wave-swash interactions to determine limiting swash heights on natural beaches.

Predicting deterioration in previously healthy infants hospitalized with respiratory syncytial virus infection.

PubMed

Brooks, A M; McBride, J T; McConnochie, K M; Aviram, M; Long, C; Hall, C B

1999-09-01

To estimate the incidence of clinical deterioration leading to intensive care unit transfer in previously healthy infants with respiratory syncytial virus (RSV) infection hospitalized on a general pediatric unit and, to assess the hypothesis that history, physical examination, oximetry, and chest radiographic findings at time of presentation can accurately identify these infants. A virology database was used to identify and determine the disposition of all children 80 and an O(2) saturation <85% at time of presentation each had a specificity >97% for predicting subsequent deterioration. Each parameter, however, had a sensitivity

Evaluation by fluorescence, STD-NMR, docking and semi-empirical calculations of the o-NBA photo-acid interaction with BSA

NASA Astrophysics Data System (ADS)

Chaves, Otávio A.; Jesus, Catarina S. H.; Cruz, Pedro F.; Sant'Anna, Carlos M. R.; Brito, Rui M. M.; Serpa, Carlos

2016-12-01

Serum albumins present reversible pH dependent conformational transitions. A sudden laser induced pH-jump is a methodology that can provide new insights on localized protein (un)folding processes that occur within the nanosecond to microsecond time scale. To generate the fast pH jump needed to fast-trigger a protein conformational event, a photo-triggered acid generator as o-nitrobenzaldehyde (o-NBA) can be conveniently used. In order to detect potential specific or nonspecific interactions between o-NBA and BSA, we have performed ligand-binding studies using fluorescence spectroscopy, saturation transfer difference (STD) NMR, molecular docking and semi-empirical calculations. Fluorescence quenching indicates the formation of a non-fluorescent complex in the ground-state between the fluorophore and the quencher, but o-NBA does not bind much effectively to the protein (Ka 4.34 × 103 M- 1) and thus can be considered a relatively weak binder. The corresponding thermodynamic parameters: ΔG°, ΔS° and ΔH° showed that the binding process is spontaneous and entropy driven. Results of 1H STD-NMR confirm that the photo-acid and BSA interact, and the relative intensities of the signals in the STD spectra show that all o-NBA protons are equally involved in the binding process, which should correspond to a nonspecific interaction. Molecular docking and semi-empirical calculations suggest that the o-NBA binds preferentially to the Trp-212-containing site of BSA (FA7), interacting via hydrogen bonds with Arg-217 and Tyr-149 residues.

Evaluation by fluorescence, STD-NMR, docking and semi-empirical calculations of the o-NBA photo-acid interaction with BSA.

PubMed

Chaves, Otávio A; Jesus, Catarina S H; Cruz, Pedro F; Sant'Anna, Carlos M R; Brito, Rui M M; Serpa, Carlos

2016-12-05

Serum albumins present reversible pH dependent conformational transitions. A sudden laser induced pH-jump is a methodology that can provide new insights on localized protein (un)folding processes that occur within the nanosecond to microsecond time scale. To generate the fast pH jump needed to fast-trigger a protein conformational event, a photo-triggered acid generator as o-nitrobenzaldehyde (o-NBA) can be conveniently used. In order to detect potential specific or nonspecific interactions between o-NBA and BSA, we have performed ligand-binding studies using fluorescence spectroscopy, saturation transfer difference (STD) NMR, molecular docking and semi-empirical calculations. Fluorescence quenching indicates the formation of a non-fluorescent complex in the ground-state between the fluorophore and the quencher, but o-NBA does not bind much effectively to the protein (Ka~4.34×10(3)M(-1)) and thus can be considered a relatively weak binder. The corresponding thermodynamic parameters: ΔG°, ΔS° and ΔH° showed that the binding process is spontaneous and entropy driven. Results of (1)H STD-NMR confirm that the photo-acid and BSA interact, and the relative intensities of the signals in the STD spectra show that all o-NBA protons are equally involved in the binding process, which should correspond to a nonspecific interaction. Molecular docking and semi-empirical calculations suggest that the o-NBA binds preferentially to the Trp-212-containing site of BSA (FA7), interacting via hydrogen bonds with Arg-217 and Tyr-149 residues. Copyright © 2016 Elsevier B.V. All rights reserved.

Simulated effects of nitrogen saturation on the global carbon budget using the IBIS model

PubMed Central

Lu, Xuehe; Jiang, Hong; Liu, Jinxun; Zhang, Xiuying; Jin, Jiaxin; Zhu, Qiuan; Zhang, Zhen; Peng, Changhui

2016-01-01

Over the past 100 years, human activity has greatly changed the rate of atmospheric N (nitrogen) deposition in terrestrial ecosystems, resulting in N saturation in some regions of the world. The contribution of N saturation to the global carbon budget remains uncertain due to the complicated nature of C-N (carbon-nitrogen) interactions and diverse geography. Although N deposition is included in most terrestrial ecosystem models, the effect of N saturation is frequently overlooked. In this study, the IBIS (Integrated BIosphere Simulator) was used to simulate the global-scale effects of N saturation during the period 1961–2009. The results of this model indicate that N saturation reduced global NPP (Net Primary Productivity) and NEP (Net Ecosystem Productivity) by 0.26 and 0.03 Pg C yr−1, respectively. The negative effects of N saturation on carbon sequestration occurred primarily in temperate forests and grasslands. In response to elevated CO2 levels, global N turnover slowed due to increased biomass growth, resulting in a decline in soil mineral N. These changes in N cycling reduced the impact of N saturation on the global carbon budget. However, elevated N deposition in certain regions may further alter N saturation and C-N coupling. PMID:27966643

Two-photon oxygen nanosensors based on a conjugated fluorescent polymer doped with platinum porphyrins.

PubMed

Wang, Xiao-Hui; Peng, Hong-Shang; Cheng, Kun; Liu, Xiao-Ming; Liu, Yuan-An; Yang, Wei

2018-04-27

Ratiometric fluorescent nanoparticles (NPs) under two-photon excitation are successfully developed for sensing dissolved oxygen. The NPs comprise the oxygen probe Pt(II)-porphyrins (PtTFPP) and fluorescent organic semiconducting polymer (PFO). PFO polymer acts as both a two-photon antenna and a reference dye, while PtTFPP absorbs the photonic energy transferred by the PFO under two-photon excitation at 740 nm to sense oxygen. The red fluorescence of PtTFPP is sensitive to oxygen with a quenching response of 88% from nitrogen saturation to oxygen saturation, and PFO gives oxygen-insensitive referenced blue fluorescence. The fluorescence quenching of the NPs against oxygen at two-photon excitation follows a linear Stern-Volmer behavior. The nanosensors exhibit low cytotoxic effects as well as effortless cellular uptake. When incorporated into cells, the ratio of the signals increases up to about 500% from oxygen-saturated to oxygen-free environment.

Numerical simulation of superheated vapor bubble rising in stagnant liquid

NASA Astrophysics Data System (ADS)

Samkhaniani, N.; Ansari, M. R.

2017-09-01

In present study, the rising of superheated vapor bubble in saturated liquid is simulated using volume of fluid method in OpenFOAM cfd package. The surface tension between vapor-liquid phases is considered using continuous surface force method. In order to reduce spurious current near interface, Lafaurie smoothing filter is applied to improve curvature calculation. Phase change is considered using Tanasawa mass transfer model. The variation of saturation temperature in vapor bubble with local pressure is considered with simplified Clausius-Clapeyron relation. The couple velocity-pressure equation is solved using PISO algorithm. The numerical model is validated with: (1) isothermal bubble rising and (2) one-dimensional horizontal film condensation. Then, the shape and life time history of single superheated vapor bubble are investigated. The present numerical study shows vapor bubble in saturated liquid undergoes boiling and condensation. It indicates bubble life time is nearly linear proportional with bubble size and superheat temperature.

Wavelength-switchable passively mode-locked fiber laser with mechanically exfoliated molybdenum ditelluride on side-polished fiber

NASA Astrophysics Data System (ADS)

Wang, Guomei

2017-11-01

We experimentally investigated the nonlinear saturable absorption characteristics of molybdenum ditelluride (MoTe2) and demonstrated a wavelength-switchable mode-locked erbium-doped fiber laser (EDFL) by using MoTe2 thin film on side-polished fiber (SPF) as saturable absorber. Here, the MoTe2 thin film was efficiently fabricated via mechanical exfoliation method and transferred onto the SPF with the assistance of polydimethylsiloxane (PDMS). MoTe2-covered SPF (MSPF) exhibits the nonlinear saturable absorption for pulses with different polarization states. Optical solitons with spectral bandwidth of 1.06 (1.31) nm centered at ∼1559 (∼1528) nm and pulse duration of 2.46 (2.04) ps can be obtained from the EDFL by adjusting the polarization controller (PC) properly. The time-bandwidth product (TBP) of the pulses was calculated as 0.322 (0.344).

Effect of soil saturation on denitrification in a grassland soil

NASA Astrophysics Data System (ADS)

Maritza Cardenas, Laura; Bol, Roland; Lewicka-Szczebak, Dominika; Gregory, Andrew Stuart; Matthews, Graham Peter; Whalley, William Richard; Misselbrook, Thomas Henry; Scholefield, David; Well, Reinhard

2017-10-01

Nitrous oxide (N2O) is of major importance as a greenhouse gas and precursor of ozone (O3) destruction in the stratosphere mostly produced in soils. The soil-emitted N2O is generally predominantly derived from denitrification and, to a smaller extent, nitrification, both processes controlled by environmental factors and their interactions, and are influenced by agricultural management. Soil water content expressed as water-filled pore space (WFPS) is a major controlling factor of emissions and its interaction with compaction, has not been studied at the micropore scale. A laboratory incubation was carried out at different saturation levels for a grassland soil and emissions of N2O and N2 were measured as well as the isotopocules of N2O. We found that flux variability was larger in the less saturated soils probably due to nutrient distribution heterogeneity created from soil cracks and consequently nutrient hot spots. The results agreed with denitrification as the main source of fluxes at the highest saturations, but nitrification could have occurred at the lower saturation, even though moisture was still high (71 % WFSP). The isotopocules data indicated isotopic similarities in the wettest treatments vs. the two drier ones. The results agreed with previous findings where it is clear there are two N pools with different dynamics: added N producing intense denitrification vs. soil N resulting in less isotopic fractionation.

Impact of saturation on the polariton renormalization in III-nitride based planar microcavities

NASA Astrophysics Data System (ADS)

Rossbach, Georg; Levrat, Jacques; Feltin, Eric; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas

2013-10-01

It has been widely observed that an increasing carrier density in a strongly coupled semiconductor microcavity (MC) alters the dispersion of cavity polaritons, below and above the condensation threshold. The interacting nature of cavity polaritons stems from their excitonic fraction being intrinsically subject to Coulomb interactions and the Pauli-blocking principle at high carrier densities. By means of injection-dependent photoluminescence studies performed nonresonantly on a GaN-based MC at various temperatures, it is shown that already below the condensation threshold saturation effects generally dominate over any energy variation in the excitonic resonance. This observation is in sharp contrast to the usually assumed picture in strongly coupled semiconductor MCs, where the impact of saturation is widely neglected. These experimental findings are confirmed by tracking the exciton emission properties of the bare MC active medium and those of a high-quality single GaN quantum well up to the Mott density. The systematic investigation of renormalization up to the polariton condensation threshold as a function of lattice temperature and exciton-cavity photon detuning is strongly hampered by photonic disorder. However, when overcoming the latter by averaging over a larger spot size, a behavior in agreement with a saturation-dominated polariton renormalization is revealed. Finally, a comparison with other inorganic material systems suggests that for correctly reproducing polariton renormalization, exciton saturation effects should be taken into account systematically.

Apolipoprotein A2 polymorphism interacts with intakes of dairy foods to influence body weight in 2 U.S. populations

USDA-ARS?s Scientific Manuscript database

The interaction between a functional apolipoprotein A2 gene (APOA2) variant and saturated fatty acids (SFAs) for the outcome of body mass index (BMI) is among the most widely replicated gene-nutrient interactions. Whether this interaction can be extrapolated to food-based sources of SFAs, specifical...

Cex1p is a novel cytoplasmic component of the Saccharomyces cerevisiae nuclear tRNA export machinery.

PubMed

McGuire, Andrew T; Mangroo, Dev

2007-01-24

The Saccharomyces cerevisiae Yor112wp, which we named Cex1p, was identified using a yeast tRNA three-hybrid interaction approach and an in vivo nuclear tRNA export assay as a cytoplasmic component of the nuclear tRNA export machinery. Cex1p binds tRNA saturably, and associates with the nuclear pore complex by interacting directly with Nup116p. Cex1p co-purifies with the nuclear tRNA export receptors Los1p and Msn5p, the eukaryotic elongation factor eEF-1A, which delivers aminoacylated tRNAs to the ribosome, and the RanGTPase Gsp1p, but not with Cca1p, a tRNA maturation enzyme that facilitates translocation of non-aminoacylated tRNAs across the nuclear pore complex. Depletion of Cex1p and eEF-1A or Los1p significantly reduced the efficiency of nuclear tRNA export. Cex1p interacts with Los1p but not with eEF-1A in vitro. These findings suggest that Cex1p is a component of the nuclear aminoacylation-dependent tRNA export pathway in S. cerevisiae. They also suggest that Cex1p collects aminoacyl-tRNAs from the nuclear export receptors at the cytoplasmic side of the nuclear pore complex, and transfers them to eEF-1A using a channelling mechanism.

Hybrid MR-PET of brain tumours using amino acid PET and chemical exchange saturation transfer MRI.

PubMed

da Silva, N A; Lohmann, P; Fairney, J; Magill, A W; Oros Peusquens, A-M; Choi, C-H; Stirnberg, R; Stoffels, G; Galldiks, N; Golay, X; Langen, K-J; Jon Shah, N

2018-06-01

PET using radiolabelled amino acids has become a promising tool in the diagnostics of gliomas and brain metastasis. Current research is focused on the evaluation of amide proton transfer (APT) chemical exchange saturation transfer (CEST) MR imaging for brain tumour imaging. In this hybrid MR-PET study, brain tumours were compared using 3D data derived from APT-CEST MRI and amino acid PET using O-(2- 18 F-fluoroethyl)-L-tyrosine ( 18 F-FET). Eight patients with gliomas were investigated simultaneously with 18 F-FET PET and APT-CEST MRI using a 3-T MR-BrainPET scanner. CEST imaging was based on a steady-state approach using a B 1 average power of 1μT. B 0 field inhomogeneities were corrected a Prametric images of magnetisation transfer ratio asymmetry (MTR asym ) and differences to the extrapolated semi-solid magnetisation transfer reference method, APT# and nuclear Overhauser effect (NOE#), were calculated. Statistical analysis of the tumour-to-brain ratio of the CEST data was performed against PET data using the non-parametric Wilcoxon test. A tumour-to-brain ratio derived from APT# and 18 F-FET presented no significant differences, and no correlation was found between APT# and 18 F-FET PET data. The distance between local hot spot APT# and 18 F-FET were different (average 20 ± 13 mm, range 4-45 mm). For the first time, CEST images were compared with 18 F-FET in a simultaneous MR-PET measurement. Imaging findings derived from 18 F-FET PET and APT CEST MRI seem to provide different biological information. The validation of these imaging findings by histological confirmation is necessary, ideally using stereotactic biopsy.

Advantages of Chemical Exchange-Sensitive Spin-Lock (CESL) Over Saturation Transfer (CEST) for Hydroxyl- and Amine-Water Proton Exchange Studies

PubMed Central

Jin, Tao; Kim, Seong-Gi

2014-01-01

The chemical exchange (CE) rate of endogenous hydroxyl and amine protons with water is often comparable to the difference in their chemical shifts. These intermediate exchange (IMEX) processes have been imaged by the CE saturation transfer (CEST) approach with low-power and long-duration irradiation. However, its sensitivity is not optimal, and more importantly, the signal is contaminated by slow magnetization transfer processes. Here, the property of CEST signals is compared to a CE-sensitive spin-locking (CESL) technique irradiating at the labile proton frequency. Firstly, using a higher power and shorter irradiation in CE-MRI yields i) increasing selectivity to faster chemical exchange rates by higher sensitivity to faster exchanges and less sensitivity to slower CE and magnetization transfer processes, and ii) decreasing in vivo asymmetric magnetization transfer contrast measured at ±15 ppm. The sensitivity gain of CESL over CEST is higher for a higher-power and shorter irradiation. Unlike CESL, CEST signals oscillate at a very high power and short irradiation. Secondly, time-dependent CEST and CESL signals are well modeled by analytical solutions of CE-MRI with asymmetric population approximation (CEAPA), which can be used for quantitative CE-MRI, and validated by simulations of Bloch-McConnell equations and phantom experiments. Lastly, in vivo amine-water proton exchange contrast measured at 2.5 ppm with ω1 of 500 Hz is 18% higher in sensitivity for CESL than CEST at 9.4 T. Overall, CESL provides better exchange rate selectivity and sensitivity than CEST; therefore, CESL is more suitable for CE-MRI of IMEX protons. PMID:25199631

Δ isobars and nuclear saturation

NASA Astrophysics Data System (ADS)

Ekström, A.; Hagen, G.; Morris, T. D.; Papenbrock, T.; Schwartz, P. D.

2018-02-01

We construct a nuclear interaction in chiral effective field theory with explicit inclusion of the Δ -isobar Δ (1232 ) degree of freedom at all orders up to next-to-next-to-leading order (NNLO). We use pion-nucleon (π N ) low-energy constants (LECs) from a Roy-Steiner analysis of π N scattering data, optimize the LECs in the contact potentials up to NNLO to reproduce low-energy nucleon-nucleon scattering phase shifts, and constrain the three-nucleon interaction at NNLO to reproduce the binding energy and point-proton radius of 4He. For heavier nuclei we use the coupled-cluster method to compute binding energies, radii, and neutron skins. We find that radii and binding energies are much improved for interactions with explicit inclusion of Δ (1232 ) , while Δ -less interactions produce nuclei that are not bound with respect to breakup into α particles. The saturation of nuclear matter is significantly improved, and its symmetry energy is consistent with empirical estimates.

Microscale investigation of dynamic impact of dry and saturated glass powder

NASA Astrophysics Data System (ADS)

Herbold, Eric; Crum, Ryan; Hurley, Ryan; Lind, Jonathan; Homel, Michael; Akin, Minta

2017-06-01

The response of particulate materials to shock loading involves complex interactions between grains involving fracture/comminution and possible interstitial material. The strength of saturated powders is attributed to ``effective stress'' where the fluid stiffens the material response and reduces the shear strength. However, detailed information regarding the effects of saturation under dynamic loading is lacking since static equilibrium between phases cannot be assumed and the interaction becomes more complex. Recent experiments at the dynamic compression sector (DCS) have captured in-situ images of shock loaded soda lime glass spheres in dry and saturated conditions. The differences between the modes of deformation and compaction are compared with mesoscale simulations to help develop our ideas about the observed response. This work was performed under the auspices of the U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LDRD tracking code 16-ERD-010. The Dynamic Compression Sector (DCS, sector 35) is supported by DOE/NNSA Award Number DE-NA0002442. The use of Advanced Photon Source is operated by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.

Mapping substrate interactions of the human membrane-associated neuraminidase, NEU3, using STD NMR.

PubMed

Albohy, Amgad; Richards, Michele R; Cairo, Christopher W

2015-03-01

Saturation transfer difference (STD) nuclear magnetic resonance (NMR) is a powerful technique which can be used to investigate interactions between proteins and their substrates. The method identifies specific sites of interaction found on a small molecule ligand when in complex with a protein. The ability of STD NMR to provide specific insight into binding interactions in the absence of other structural data is an attractive feature for its use with membrane proteins. We chose to employ STD NMR in our ongoing investigations of the human membrane-associated neuraminidase NEU3 and its interaction with glycolipid substrates (e.g., GM3). In order to identify critical substrate-enzyme interactions, we performed STD NMR with a catalytically inactive form of the enzyme, NEU3(Y370F), containing an N-terminal maltose-binding protein (MBP)-affinity tag. In the absence of crystallographic data on the enzyme, these data represent a critical experimental test of proposed homology models, as well as valuable new structural data. To aid interpretation of the STD NMR data, we compared the results with molecular dynamics (MD) simulations of the enzyme-substrate complexes. We find that the homology model is able to predict essential features of the experimental data, including close contact of the hydrophobic aglycone and the Neu5Ac residue with the enzyme. Additionally, the model and STD NMR data agree on the facial recognition of the galactose and glucose residues of the GM3-analog studied. We conclude that the homology model of NEU3 can be used to predict substrate recognition, but our data indicate that unstructured portions of the NEU3 model may require further refinement. © The Author 2014. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Controls on the physical properties of gas-hydrate-bearing sediments because of the interaction between gas hydrate and porous media

USGS Publications Warehouse

Lee, Myung W.; Collett, Timothy S.

2005-01-01

Physical properties of gas-hydrate-bearing sediments depend on the pore-scale interaction between gas hydrate and porous media as well as the amount of gas hydrate present. Well log measurements such as proton nuclear magnetic resonance (NMR) relaxation and electromagnetic propagation tool (EPT) techniques depend primarily on the bulk volume of gas hydrate in the pore space irrespective of the pore-scale interaction. However, elastic velocities or permeability depend on how gas hydrate is distributed in the pore space as well as the amount of gas hydrate. Gas-hydrate saturations estimated from NMR and EPT measurements are free of adjustable parameters; thus, the estimations are unbiased estimates of gas hydrate if the measurement is accurate. However, the amount of gas hydrate estimated from elastic velocities or electrical resistivities depends on many adjustable parameters and models related to the interaction of gas hydrate and porous media, so these estimates are model dependent and biased. NMR, EPT, elastic-wave velocity, electrical resistivity, and permeability measurements acquired in the Mallik 5L-38 well in the Mackenzie Delta, Canada, show that all of the well log evaluation techniques considered provide comparable gas-hydrate saturations in clean (low shale content) sandstone intervals with high gas-hydrate saturations. However, in shaly intervals, estimates from log measurement depending on the pore-scale interaction between gas hydrate and host sediments are higher than those estimates from measurements depending on the bulk volume of gas hydrate.

Nonaxisymmetric Dynamic Instabilities of Rotating Polytropes. II. Torques, Bars, and Mode Saturation with Applications to Protostars and Fizzlers

NASA Astrophysics Data System (ADS)

Imamura, James N.; Durisen, Richard H.; Pickett, Brian K.

2000-01-01

Dynamic nonaxisymmetric instabilities in rapidly rotating stars and protostars have a range of potential applications in astrophysics, including implications for binary formation during protostellar cloud collapse and for the possibility of aborted collapse to neutron star densities at late stages of stellar evolution (``fizzlers''). We have recently presented detailed linear analyses for polytropes of the most dynamically unstable global modes, the barlike modes. These produce bar distortions in the regions near the rotation axis but have trailing spiral arms toward the equator. In this paper, we use our linear eigenfunctions to predict the early nonlinear behavior of the dynamic instability and compare these ``quasi-linear'' predictions with several fully nonlinear hydrodynamics simulations. The comparisons demonstrate that the nonlinear saturation of the barlike instability is due to the self-interaction gravitational torques between the growing central bar and the spiral arms, where angular momentum is transferred outward from bar to arms. We also find a previously unsuspected resonance condition that accurately predicts the mass of the bar regions in our own simulations and in those published by other researchers. The quasi-linear theory makes other accurate predictions about consequences of instability, including properties of possible end-state bars and increases in central density, which can be large under some conditions. We discuss in some detail the application of our results to binary formation during protostellar collapse and to the formation of massive rotating black holes.

Pushing the limit of NMR-based distance measurements - retrieving dipolar couplings to spins with extensively large quadrupolar frequencies.

PubMed

Makrinich, M; Nimerovsky, E; Goldbourt, A

2018-04-14

Dipolar recoupling under magic-angle spinning allows to measure accurate inter-nuclear distances provided that the two interacting spins can be efficiently and uniformly excited. Alexander (Lex) Vega has shown that adiabatic transfers of populations in quadrupolar spins during the application of constant-wave (cw) radio-frequency pulses lead to efficient and quantifiable dipolar recoupling curves. Accurate distance determination within and beyond the adiabatic regime using cw pulses is limited by the size of the quadrupolar coupling constant. Here we show that using the approach of long-pulse phase modulation, dipolar recoupling and accurate distances can be obtained for nuclei having extensively large quadrupolar frequencies of 5-10 MHz. We demonstrate such results by obtaining a 31 P- 79/81 Br distance in a compound for which bromine-79 (spin-3/2) has a quadrupolar coupling constant of 11.3 MHz, and a 13 C- 209 Bi distance where the bismuth (spin-9/2) has a quadrupolar coupling constant of 256 MHz, equaling a quadrupolar frequency of 10.7 MHz. For Bromine, we demonstrate that an analytical curve based on the assumption of complete spin saturation fits the data. In the case of bismuth acetate, a C-Bi 3 spin system must be used in order to match the correct saturation recoupling curve, and results are in agreement with the crystallographic structure. Copyright © 2018 Elsevier Inc. All rights reserved.

Turbulent convection in microchannels

NASA Astrophysics Data System (ADS)

Adams, Thomas Mcdaniel

1998-10-01

Single-phase forced convection in microchannels is an effective cooling mechanism capable of accommodating the high heat fluxes encountered in fission reactor cores, accelerator targets, microelectronic heat sinks and micro-heat exchangers. Traditional Nusselt type correlations, however, have generally been obtained using data from channels with hydraulic diameters >2 cm. Application of such relationships to microchannels is therefore questionable. A diameter limit below which traditional correlations are invalid had not been established. The objective of this investigation was to systematically address the effect of small hydraulic diameter on turbulent single-phase forced convection of water. A number of microchannels having hydraulic diameters ranging from 0.76 to 1.13 mm were constructed and tested over a wide range of flow rates and heat fluxes. Experimentally obtained Nusselt numbers were significantly higher than the values predicted by the Gnielinski correlation for large channels, the effect of decreasing diameter being to further increase heat transfer enhancement. A working correlation predicting the heat transfer enhancement for turbulent convection in microchannels was developed. The correlation predicts the lower diameter limit below which traditional correlations are no longer valid to be approximately 1.2 mm. Of further interest was the effect of the desorption of noncondensable gases dissolved in the water on turbulent convection. In large channels noncondensables undergo little desorption and their effect is negligible. The large pressure drops coupled with large temperature increases for high heat fluxes in microchannels, however, leads to a two-phase, two-component flow thereby enhancing heat transfer coefficients above their liquid- only values. A detailed mathematical model was developed to predict the resulting void fractions and liquid- coolant accelerations due to the desorption of noncondensables in microchannels. Experiments were also performed to compare heat transfer coefficients for fully-degassed water to water saturated with air at test section inlet conditions. The data showed significant heat transfer enhancement for the air-saturated case over the fully-degassed case. The degree of enhancement was greatly under-predicted by current two-phase, two- component heat transfer correlations.

Exosomes surf on filopodia to enter cells at endocytic hot spots, traffic within endosomes, and are targeted to the ER.

PubMed

Heusermann, Wolf; Hean, Justin; Trojer, Dominic; Steib, Emmanuelle; von Bueren, Stefan; Graff-Meyer, Alexandra; Genoud, Christel; Martin, Katrin; Pizzato, Nicolas; Voshol, Johannes; Morrissey, David V; Andaloussi, Samir E L; Wood, Matthew J; Meisner-Kober, Nicole C

2016-04-25

Exosomes are nanovesicles released by virtually all cells, which act as intercellular messengers by transfer of protein, lipid, and RNA cargo. Their quantitative efficiency, routes of cell uptake, and subcellular fate within recipient cells remain elusive. We quantitatively characterize exosome cell uptake, which saturates with dose and time and reaches near 100% transduction efficiency at picomolar concentrations. Highly reminiscent of pathogenic bacteria and viruses, exosomes are recruited as single vesicles to the cell body by surfing on filopodia as well as filopodia grabbing and pulling motions to reach endocytic hot spots at the filopodial base. After internalization, exosomes shuttle within endocytic vesicles to scan the endoplasmic reticulum before being sorted into the lysosome as their final intracellular destination. Our data quantify and explain the efficiency of exosome internalization by recipient cells, establish a new parallel between exosome and virus host cell interaction, and suggest unanticipated routes of subcellular cargo delivery. © 2016 Heusermann et al.

Exosomes surf on filopodia to enter cells at endocytic hot spots, traffic within endosomes, and are targeted to the ER

PubMed Central

Hean, Justin; Trojer, Dominic; Steib, Emmanuelle; von Bueren, Stefan; Graff-Meyer, Alexandra; Genoud, Christel; Martin, Katrin; Pizzato, Nicolas; Voshol, Johannes; Morrissey, David V.; Andaloussi, Samir E.L.; Wood, Matthew J.

2016-01-01

Exosomes are nanovesicles released by virtually all cells, which act as intercellular messengers by transfer of protein, lipid, and RNA cargo. Their quantitative efficiency, routes of cell uptake, and subcellular fate within recipient cells remain elusive. We quantitatively characterize exosome cell uptake, which saturates with dose and time and reaches near 100% transduction efficiency at picomolar concentrations. Highly reminiscent of pathogenic bacteria and viruses, exosomes are recruited as single vesicles to the cell body by surfing on filopodia as well as filopodia grabbing and pulling motions to reach endocytic hot spots at the filopodial base. After internalization, exosomes shuttle within endocytic vesicles to scan the endoplasmic reticulum before being sorted into the lysosome as their final intracellular destination. Our data quantify and explain the efficiency of exosome internalization by recipient cells, establish a new parallel between exosome and virus host cell interaction, and suggest unanticipated routes of subcellular cargo delivery. PMID:27114500

Engineered superlattices with crossover from decoupled to synthetic ferromagnetic behavior

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

Chopdekar, Rajesh V.; Malik, Vivek K.; Kane, Alexander M.

The extent of interfacial charge transfer and the resulting impact on magnetic interactions were investigated as a function of sublayer thickness in La 0.7Sr 0.3MnO 3/La 0.7Sr 0.3CoO 3 ferromagnetic superlattices. Element-specific soft x-ray magnetic spectroscopy reveals that the electronic structure is altered within 5–6 unit cells of the chemical interface, and can lead to a synthetic ferromagnet with strong magnetic coupling between the sublayers. The saturation magnetization and coercivity depends sensitively on the sublayer thickness due to the length scale of this interfacial effect. For larger sublayer thicknesses, the La 0.7Sr 0.3MnO 3 and La 0.7Sr 0.3CoO 3 sublayersmore » are magnetically decoupled, displaying two independent magnetic transitions with little sublayer thickness dependence. Lastly, these results demonstrate how interfacial phenomena at perovskite oxide interfaces can be used to tailor their functional properties at the atomic scale.« less

Genetically encoded reporters for hyperpolarized xenon magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Shapiro, Mikhail G.; Ramirez, R. Matthew; Sperling, Lindsay J.; Sun, George; Sun, Jinny; Pines, Alexander; Schaffer, David V.; Bajaj, Vikram S.

2014-07-01

Magnetic resonance imaging (MRI) enables high-resolution non-invasive observation of the anatomy and function of intact organisms. However, previous MRI reporters of key biological processes tied to gene expression have been limited by the inherently low molecular sensitivity of conventional 1H MRI. This limitation could be overcome through the use of hyperpolarized nuclei, such as in the noble gas xenon, but previous reporters acting on such nuclei have been synthetic. Here, we introduce the first genetically encoded reporters for hyperpolarized 129Xe MRI. These expressible reporters are based on gas vesicles (GVs), gas-binding protein nanostructures expressed by certain buoyant microorganisms. We show that GVs are capable of chemical exchange saturation transfer interactions with xenon, which enables chemically amplified GV detection at picomolar concentrations (a 100- to 10,000-fold improvement over comparable constructs for 1H MRI). We demonstrate the use of GVs as heterologously expressed indicators of gene expression and chemically targeted exogenous labels in MRI experiments performed on living cells.

Momentum and Heat Transfer Models for Detonation in Nitromethane with Metal Particles

NASA Astrophysics Data System (ADS)

Ripley, Robert; Zhang, Fan; Lien, Fue-Sang

2009-06-01

Models for momentum and heat exchange have been derived from the results of previous 3D mesoscale simulations of detonation in packed aluminum particles saturated with nitromethane, where the shock interaction timescale was resolved. In these models, particle acceleration and heating within the shock and detonation zone have been expressed in terms of velocity and temperature transmission factors, which are a function of metal to explosive density ratio, metal volume fraction and ratio of particle size to detonation zone thickness. These models are incorporated as source terms in the governing equations for continuum dense two-phase flow and macroscopic simulation is then applied to detonation of nitromethane/aluminum in lightly-cased cylinders. Heterogeneous detonation features such as velocity deficit, enhanced pressure, and critical diameter effects are reproduced. Various spherical particle diameters from 3 -- 30 μm are utilized where most of the particles react in the expanding detonation products. Results for detonation velocity, pressure history, failure and U-shaped critical diameter behavior are compared to the existing experiments.

Momentum and Heat Transfer Models for Detonation in Nitromethane with Metal Particles

NASA Astrophysics Data System (ADS)

Ripley, R. C.; Zhang, F.; Lien, F.-S.

2009-12-01

Models for momentum and heat exchange have been derived from the results of previous 3D mesoscale simulations of detonation in packed aluminum particles saturated with nitromethane, where the shock interaction timescale was resolved. In these models, particle acceleration and heating within the shock and detonation zone are expressed in terms of velocity and temperature transmission factors, which are a function of the metal to explosive density ratio, solid volume fraction and ratio of particle size to detonation zone thickness. These models are incorporated as source terms in the governing equations for continuum dense two-phase flow, and then applied to macroscopic simulation of detonation of nitromethane/aluminum in lightly-cased cylinders. Heterogeneous detonation features such as velocity deficit, enhanced pressure, and critical diameter effects are demonstrated. Various spherical particle diameters from 3-350 μm are utilized where most of the particles react in the expanding detonation products. Results for detonation velocity, pressure history, failure and U-shaped critical diameter behavior are compared to existing experiments.

Engineered superlattices with crossover from decoupled to synthetic ferromagnetic behavior

DOE PAGES

Chopdekar, Rajesh V.; Malik, Vivek K.; Kane, Alexander M.; ...

2017-12-04

The extent of interfacial charge transfer and the resulting impact on magnetic interactions were investigated as a function of sublayer thickness in La 0.7Sr 0.3MnO 3/La 0.7Sr 0.3CoO 3 ferromagnetic superlattices. Element-specific soft x-ray magnetic spectroscopy reveals that the electronic structure is altered within 5–6 unit cells of the chemical interface, and can lead to a synthetic ferromagnet with strong magnetic coupling between the sublayers. The saturation magnetization and coercivity depends sensitively on the sublayer thickness due to the length scale of this interfacial effect. For larger sublayer thicknesses, the La 0.7Sr 0.3MnO 3 and La 0.7Sr 0.3CoO 3 sublayersmore » are magnetically decoupled, displaying two independent magnetic transitions with little sublayer thickness dependence. Lastly, these results demonstrate how interfacial phenomena at perovskite oxide interfaces can be used to tailor their functional properties at the atomic scale.« less

Envelope matching for enhanced backward Raman amplification by using self-ionizing plasmas

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

Zhang, Z. M.; Zhang, B.; Hong, W.

2014-12-15

Backward Raman amplification (BRA) in plasmas has been promoted as a means for generating ultrapowerful laser pulses. For the purpose of achieving the maximum intensities over the shortest distances, an envelope matching between the seed pulse and the amplification gain is required, i.e., the seed pulse propagates at the same velocity with the gain such that the peak of the seed pulse can always enjoy the maximum gain. However, such an envelope matching is absent in traditional BRA because in the latter the amplification gain propagates at superluminous velocity while the seed pulse propagates at the group velocity, which ismore » less than the speed of light. It is shown here that, by using self-ionizing plasmas, the speed of the amplification gain can be well reduced to reach the envelope matching regime. This results in a favorable BRA process, in which higher saturated intensity, shorter interaction length and higher energy-transfer efficiency are achieved.« less

The effect of Sinabung volcanic ash and rock phosphate nanoparticle on CEC (cation exchange capacity) base saturation exchange (K, Na, Ca, Mg) and base saturation at Andisol soils Ciater, West Java

NASA Astrophysics Data System (ADS)

Yuniarti, Anni; Arifin, Mahfud; Sofyan, Emma Trinurasi; Natalie, Betty; Sudirja, Rija; Dahliani, Dewi

2018-02-01

Andisol, soil orders which covers an upland area dominantly. The aim of this research is to know the effect between the ameliorant of Sinabung volcanic ashes with the ameliorant of rock phosphatenanoparticle towards CEC and base saturation exchange (K, Na, Ca, Mg) and the base saturation on Ciater's Andisols, West Java. A randomized complete block design (RCBD) factorial with two factors was used in this research. The first factor is the volcanic ash and the second factor is rock phosphate which consists of four levels each amount of 0%, 2.5%, 5%, 7.5% with three replications. The result showed that there was no interaction between volcanic ash and rock phosphate nanoparticle formed in first month and fourth month towards the improvement of CEC and saturation base exchange rate unless magnesium cation exchange increased in fourth month. There was independent effect of volcanic ash formed nanoparticles towards base saturation exchange increased for 5% dose. There was independent effect of rock phosphate formed nanoparticles towards base saturation exchange and increased for 5% dose. The dose combination of volcanic ashes 7.5% with phosphate rock, 5% increased the base saturation in the first month incubation.

Concentration Dependence of Pool Nucleate Boiling Heat Transfer Coefficients for R134a and Polyolester Oil System

NASA Astrophysics Data System (ADS)

Sato, Tomoaki; Takaishi, Yoshinori; Oguchi, Kosei

This paper presents experimental results of the concentration dependence of heat transfer coefficients for mixtures of R134a and polyolester (POE) oil under the conditions of pool nuc1eateboiling. The experiments are conducted by means of ah horizontal platinum wire at saturation tel11peraturesof 9, 19, and 29°C and at oil concentrations from 0 to 8 mass%. The present results show that the boiling heat transfer coefficient for the system concerned decreases with increasing oil concentration as a whole but increases slightly at a low oil concentration of about 4 mass%. A correlation equation is also given as a function of heat flux, temperature and oil concentration to reproduce the experimental boiling heat transfer coefficient within an uncertainly of about±15%.

Low temperature magnetic properties of GdFeO3

NASA Astrophysics Data System (ADS)

Paul, Pralay; Prajapat, C. L.; Rajarajan, A. K.; Rao, T. V. Chandrasekhar

2018-04-01

Polycrystalline GdFeO3 was prepared using conventional solid state reaction method. Magnetization studies at low temperatures show antiferromagnetic ordering of Gd moments at ˜2.5K. Saturation in magnetization is noted at 2K under moderate magnetic fields, a result hitherto unreported. We conjecture that such a saturation is indicative of weakening of Dzyaloshinskii-Moriya interaction between Gd and Fe sublattices.

The use of distributed hydrological models for the Gard 2002 flash flood event: Analysis of associated hydrological processes

NASA Astrophysics Data System (ADS)

Braud, Isabelle; Roux, Hélène; Anquetin, Sandrine; Maubourguet, Marie-Madeleine; Manus, Claire; Viallet, Pierre; Dartus, Denis

2010-11-01

SummaryThis paper presents a detailed analysis of the September 8-9, 2002 flash flood event in the Gard region (southern France) using two distributed hydrological models: CVN built within the LIQUID® hydrological platform and MARINE. The models differ in terms of spatial discretization, infiltration and water redistribution representation, and river flow transfer. MARINE can also account for subsurface lateral flow. Both models are set up using the same available information, namely a DEM and a pedology map. They are forced with high resolution radar rainfall data over a set of 18 sub-catchments ranging from 2.5 to 99 km2 and are run without calibration. To begin with, models simulations are assessed against post field estimates of the time of peak and the maximum peak discharge showing a fair agreement for both models. The results are then discussed in terms of flow dynamics, runoff coefficients and soil saturation dynamics. The contribution of the subsurface lateral flow is also quantified using the MARINE model. This analysis highlights that rainfall remains the first controlling factor of flash flood dynamics. High rainfall peak intensities are very influential of the maximum peak discharge for both models, but especially for the CVN model which has a simplified overland flow transfer. The river bed roughness also influences the peak intensity and time. Soil spatial representation is shown to have a significant role on runoff coefficients and on the spatial variability of saturation dynamics. Simulated soil saturation is found to be strongly related with soil depth and initial storage deficit maps, due to a full saturation of most of the area at the end of the event. When activated, the signature of subsurface lateral flow is also visible in the spatial patterns of soil saturation with higher values concentrating along the river network. However, the data currently available do not allow the assessment of both patterns. The paper concludes with a set of recommendations for enhancing field observations in order to progress in process understanding and gather a larger set of data to improve the realism of distributed models.

Soil Organic Matter Stabilization via Mineral Interactions in Forest Soils with Varying Saturation Frequency

NASA Astrophysics Data System (ADS)

Possinger, A. R.; Inagaki, T.; Bailey, S. W.; Kogel-Knabner, I.; Lehmann, J.

2017-12-01

Soil carbon (C) interaction with minerals and metals through surface adsorption and co-precipitation processes is important for soil organic C (SOC) stabilization. Co-precipitation (i.e., the incorporation of C as an "impurity" in metal precipitates as they form) may increase the potential quantity of mineral-associated C per unit mineral surface compared to surface adsorption: a potentially important and as yet unaccounted for mechanism of C stabilization in soil. However, chemical, physical, and biological characterization of co-precipitated SOM as such in natural soils is limited, and the relative persistence of co-precipitated C is unknown, particularly under dynamic environmental conditions. To better understand the relationships between SOM stabilization via organometallic co-precipitation and environmental variables, this study compares mineral-SOM characteristics across a forest soil (Spodosol) hydrological gradient with expected differences in co-precipitation of SOM with iron (Fe) and aluminum (Al) due to variable saturation frequency. Soils were collected from a steep, well-drained forest soil transect with low, medium, and high frequency of water table intrusion into surface soils (Hubbard Brook Experimental Forest, Woodstock, NH). Lower saturation frequency soils generally had higher C content, C/Fe, C/Al, and other indicators of co-precipitation interactions resulting from SOM complexation, transport, and precipitation, an important process of Spodosol formation. Preliminary Fe X-ray Absorption Spectroscopic (XAS) characterization of SOM and metal chemistry in low frequency profiles suggest co-precipitation of SOM in the fine fraction (<20 µm). Short-term (10d) aerobic incubation of high and low saturation frequency soils showed greater SOC mineralization per unit soil C for low saturation frequency (i.e., higher co-precipitation) soils; however, increased mineralization may be attributed to non-mineral associated fractions of SOM. Further work to identify the component of SOM contributing to rapid mineralization using 13C-labeled substrates will link the observed chemical characteristics (13C-NMR, C K-edge XANES, and Fe XAS) of mineral-organic associations resulting from varying saturation frequency with mechanisms driving mineralization processes.

Phase equilibria constraints on models of subduction zone magmatism

NASA Astrophysics Data System (ADS)

Myers, James D.; Johnston, Dana A.

Petrologic models of subduction zone magmatism can be grouped into three broad classes: (1) predominantly slab-derived, (2) mainly mantle-derived, and (3) multi-source. Slab-derived models assume high-alumina basalt (HAB) approximates primary magma and is derived by partial fusion of the subducting slab. Such melts must, therefore, be saturated with some combination of eclogite phases, e.g. cpx, garnet, qtz, at the pressures, temperatures and water contents of magma generation. In contrast, mantle-dominated models suggest partial melting of the mantle wedge produces primary high-magnesia basalts (HMB) which fractionate to yield derivative HAB magmas. In this context, HMB melts should be saturated with a combination of peridotite phases, i.e. ol, cpx and opx, and have liquid-lines-of-descent that produce high-alumina basalts. HAB generated in this manner must be saturated with a mafic phase assemblage at the intensive conditions of fractionation. Multi-source models combine slab and mantle components in varying proportions to generate the four main lava types (HMB, HAB, high-magnesia andesites (HMA) and evolved lavas) characteristic of subduction zones. The mechanism of mass transfer from slab to wedge as well as the nature and fate of primary magmas vary considerably among these models. Because of their complexity, these models imply a wide range of phase equilibria. Although the experiments conducted on calc-alkaline lavas are limited, they place the following limitations on arc petrologic models: (1) HAB cannot be derived from HMB by crystal fractionation at the intensive conditions thus far investigated, (2) HAB could be produced by anhydrous partial fusion of eclogite at high pressure, (3) HMB liquids can be produced by peridotite partial fusion 50-60 km above the slab-mantle interface, (4) HMA cannot be primary magmas derived by partial melting of the subducted slab, but could have formed by slab melt-peridotite interaction, and (5) many evolved calc-alkaline lavas could have been formed by crystal fractionation at a range of crustal pressures.

Methane Emissions From Western Siberian Wetlands: Heterogeneity and Sensitivity to Climate Change

NASA Astrophysics Data System (ADS)

Bohn, T. J.; Lettenmaier, D. P.; Podest, E.; McDonald, K. C.; Sathulur, K.; Bowling, L. C.; Friborg, T.

2007-12-01

Prediction of methane emissions from high-latitude wetlands is important given concerns about their sensitivity to a warming climate. As a basis for prediction of wetland methane emissions at regional scales, we have coupled the Variable Infiltration Capacity macroscale hydrological model (VIC) with the Biosphere-Energy-Transfer- Hydrology terrestrial ecosystem model (BETHY) and a wetland methane emissions model to make large-scale estimates of methane emissions as a function of soil temperature, water table depth, and net primary productivity (NPP), with a parameterization of the sub-grid heterogeneity of the water table depth based on topographic wetness index. Using landcover classifications derived from L-band satellite synthetic aperture radar imagery, we simulated methane emissions for the Chaya River basin in western Siberia, an area that includes the Bakchar Bog, for a retrospective baseline period of 1980-1999, and evaluated their sensitivity to increases in temperature of 0-5 °C and increases in precipitation of 0-15%. The interactions of temperature and precipitation, through their effects on the water table depth, play an important role in determining methane emissions from these wetlands. The balance between these effects varies spatially, and their net effect depends in part on sub- grid topographic heterogeneity. Higher temperatures alone increase methane production in saturated areas, but cause those saturated areas to shrink in extent, resulting in a net reduction in methane emissions. Higher precipitation alone raises water tables and expands the saturated area, resulting in a net increase in methane emissions. Combining a temperature increase of 3 °C and an increase of 10% in precipitation, to represent the climate conditions likely in western Siberia at the end of this century, results in roughly a doubling of annual methane emissions. This work was carried out at the University of Washington, at Purdue University, and at the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration.

On-bead combinatorial synthesis and imaging of chemical exchange saturation transfer magnetic resonance imaging agents to identify factors that influence water exchange.

PubMed

Napolitano, Roberta; Soesbe, Todd C; De León-Rodríguez, Luis M; Sherry, A Dean; Udugamasooriya, D Gomika

2011-08-24

The sensitivity of magnetic resonance imaging (MRI) contrast agents is highly dependent on the rate of water exchange between the inner sphere of a paramagnetic ion and bulk water. Normally, identifying a paramagnetic complex that has optimal water exchange kinetics is done by synthesizing and testing one compound at a time. We report here a rapid, economical on-bead combinatorial synthesis of a library of imaging agents. Eighty different 1,4,7,10-tetraazacyclododecan-1,4,7,10-tetraacetic acid (DOTA)-tetraamide peptoid derivatives were prepared on beads using a variety of charged, uncharged but polar, hydrophobic, and variably sized primary amines. A single chemical exchange saturation transfer image of the on-bead library easily distinguished those compounds having the most favorable water exchange kinetics. This combinatorial approach will allow rapid screening of libraries of imaging agents to identify the chemical characteristics of a ligand that yield the most sensitive imaging agents. This technique could be automated and readily adapted to other types of MRI or magnetic resonance/positron emission tomography agents as well.

Matrix-algebra-based calculations of the time evolution of the binary spin-bath model for magnetization transfer.

PubMed

Müller, Dirk K; Pampel, André; Möller, Harald E

2013-05-01

Quantification of magnetization-transfer (MT) experiments are typically based on the assumption of the binary spin-bath model. This model allows for the extraction of up to six parameters (relative pool sizes, relaxation times, and exchange rate constants) for the characterization of macromolecules, which are coupled via exchange processes to the water in tissues. Here, an approach is presented for estimating MT parameters acquired with arbitrary saturation schemes and imaging pulse sequences. It uses matrix algebra to solve the Bloch-McConnell equations without unwarranted simplifications, such as assuming steady-state conditions for pulsed saturation schemes or neglecting imaging pulses. The algorithm achieves sufficient efficiency for voxel-by-voxel MT parameter estimations by using a polynomial interpolation technique. Simulations, as well as experiments in agar gels with continuous-wave and pulsed MT preparation, were performed for validation and for assessing approximations in previous modeling approaches. In vivo experiments in the normal human brain yielded results that were consistent with published data. Copyright © 2013 Elsevier Inc. All rights reserved.

Protonation of Excited State Pyrene-1-Carboxylate by Phosphate and Organic Acids in Aqueous Solution Studied by Fluorescence Spectroscopy

PubMed Central

Zelent, Bogumil; Vanderkooi, Jane M.; Coleman, Ryan G.; Gryczynski, Ignacy; Gryczynski, Zygmunt

2006-01-01

Pyrene-1-carboxylic acid has a pK of 4.0 in the ground state and 8.1 in the singlet electronic excited state. In the pH range of physiological interest (pH ∼5–8), the ground state compound is largely ionized as pyrene-1-carboxylate, but protonation of the excited state molecule occurs when a proton donor reacts with the carboxylate during the excited state lifetime of the fluorophore. Both forms of the pyrene derivatives are fluorescent, and in this work the protonation reaction was measured by monitoring steady-state and time-resolved fluorescence. The rate of protonation of pyrene-COO− by acetic, chloroacetic, lactic, and cacodylic acids is a function of ΔpK, as predicted by Marcus theory. The rate of proton transfer from these acids saturates at high concentration, as expected for the existence of an encounter complex. Trihydrogen-phosphate is a much better proton donor than dihydrogen- and monohydrogen-phosphate, as can be seen by the pH dependence. The proton-donating ability of phosphate does not saturate at high concentrations, but increases with increasing phosphate concentration. We suggest that enhanced rate of proton transfer at high phosphate concentrations may be due to the dual proton donating and accepting nature of phosphate, in analogy to the Grotthuss mechanism for proton transfer in water. It is suggested that in molecular structures containing multiple phosphates, such as membrane surfaces and DNA, proton transfer rates will be enhanced by this mechanism. PMID:16920831

Breast cancer redox heterogeneity detectable with chemical exchange saturation transfer (CEST) MRI.

PubMed

Cai, Kejia; Xu, He N; Singh, Anup; Moon, Lily; Haris, Mohammad; Reddy, Ravinder; Li, Lin Z

2014-10-01

Tissue redox state is an important mediator of various biological processes in health and diseases such as cancer. Previously, we discovered that the mitochondrial redox state of ex vivo tissues detected by redox scanning (an optical imaging method) revealed interesting tumor redox state heterogeneity that could differentiate tumor aggressiveness. Because the noninvasive chemical exchange saturation transfer (CEST) MRI can probe the proton transfer and generate contrasts from endogenous metabolites, we aim to investigate if the in vivo CEST contrast is sensitive to proton transfer of the redox reactions so as to reveal the tissue redox states in breast cancer animal models. CEST MRI has been employed to characterize tumor metabolic heterogeneity and correlated with the redox states measured by the redox scanning in two human breast cancer mouse xenograft models, MDA-MB-231 and MCF-7. The possible biological mechanism on the correlation between the two imaging modalities was further investigated by phantom studies where the reductants and the oxidants of the representative redox reactions were measured. The CEST contrast is found linearly correlated with NADH concentration and the NADH redox ratio with high statistical significance, where NADH is the reduced form of nicotinamide adenine dinucleotide. The phantom studies showed that the reductants of the redox reactions have more CEST contrast than the corresponding oxidants, indicating that higher CEST effect corresponds to the more reduced redox state. This preliminary study suggests that CEST MRI, once calibrated, might provide a novel noninvasive imaging surrogate for the tissue redox state and a possible diagnostic biomarker for breast cancer in the clinic.

Demonstrating the saturation of stimulated Brillouin scattering by ion acoustic decay using fully kinetic simulations

DOE PAGES

Chapman, T.; Winjum, B. J.; Brunner, S.; ...

2015-09-01

The saturation of stimulated Brillouin scattering (SBS) by the decay to turbulence of the ion acoustic wave (IAW) that participates in the three-wave SBS interaction is demonstrated using a quasi-noiseless one-dimensional numerical solution to the Vlasov-Maxwell system of equations. This simulation technique permits careful examination of the decay process and its role in the complex evolution of SBS. Here, the IAW decay process is shown to be an effective SBS saturation mechanism. In our example, the instantaneous plasma reflectivity saturates at ~30% and drops to ~0% as a direct consequence of IAW decay. A contrasting example where the reflectivity ismore » controlled by dephasing due to the nonlinear frequency of the IAW is also discussed.« less

Quantitative chemical exchange saturation transfer (qCEST) MRI--RF spillover effect-corrected omega plot for simultaneous determination of labile proton fraction ratio and exchange rate.

PubMed

Sun, Phillip Zhe; Wang, Yu; Dai, ZhuoZhi; Xiao, Gang; Wu, Renhua

2014-01-01

Chemical exchange saturation transfer (CEST) MRI is sensitive to dilute proteins and peptides as well as microenvironmental properties. However, the complexity of the CEST MRI effect, which varies with the labile proton content, exchange rate and experimental conditions, underscores the need for developing quantitative CEST (qCEST) analysis. Towards this goal, it has been shown that omega plot is capable of quantifying paramagnetic CEST MRI. However, the use of the omega plot is somewhat limited for diamagnetic CEST (DIACEST) MRI because it is more susceptible to direct radio frequency (RF) saturation (spillover) owing to the relatively small chemical shift. Recently, it has been found that, for dilute DIACEST agents that undergo slow to intermediate chemical exchange, the spillover effect varies little with the labile proton ratio and exchange rate. Therefore, we postulated that the omega plot analysis can be improved if RF spillover effect could be estimated and taken into account. Specifically, simulation showed that both labile proton ratio and exchange rate derived using the spillover effect-corrected omega plot were in good agreement with simulated values. In addition, the modified omega plot was confirmed experimentally, and we showed that the derived labile proton ratio increased linearly with creatine concentration (p < 0.01), with little difference in their exchange rate (p = 0.32). In summary, our study extends the conventional omega plot for quantitative analysis of DIACEST MRI. Copyright © 2014 John Wiley & Sons, Ltd.

Streaming Potential In Rocks Saturated With Water And Oil

NASA Astrophysics Data System (ADS)

Tarvin, J. A.; Caston, A.

2011-12-01

Fluids flowing through porous media generate electrical currents. These currents cause electric potentials, called "streaming potentials." Streaming potential amplitude depends on the applied pressure gradient, on rock and fluid properties, and on the interaction between rock and fluid. Streaming potential has been measured for rocks saturated with water (1) and with water-gas mixtures. (2) Few measurements (3) have been reported for rocks saturated with water-oil mixtures. We measured streaming potential for sandstone and limestone saturated with a mixture of brine and laboratory oil. Cylindrical samples were initially saturated with brine and submerged in oil. Saturation was changed by pumping oil from one end of a sample to the other and then through the sample in the opposite direction. Saturation was estimated from sample resistivity. The final saturation of each sample was determined by heating the sample in a closed container and measuring the pressure. Measurements were made by modulating the pressure difference (of oil) between the ends of a sample at multiple frequencies below 20 Hz. The observed streaming potential is a weak function of the saturation. Since sample conductivity decreases with increasing oil saturation, the electro-kinetic coupling coefficient (Pride's L (4)) decreases with increasing oil saturation. (1) David B. Pengra and Po-zen Wong, Colloids and Surfaces, vol., p. 159 283-292 (1999). (2) Eve S. Sprunt, Tony B. Mercer, and Nizar F. Djabbarah, Geophysics, vol. 59, p. 707-711 (1994). (3) Vinogradov, J., Jackson, M.D., Geophysical Res. L., Vol. 38, Article L01301 (2011). (4) Steve Pride, Phys. Rev. B, vol. 50, pp. 15678-15696 (1994).

The Dynamical Dipole Radiation in Dissipative Collisions with Exotic Beams

NASA Astrophysics Data System (ADS)

di Toro, M.; Colonna, M.; Rizzo, C.; Baran, V.

Heavy Ion Collisions (HIC) represent a unique tool to probe the in-medium nuclear interaction in regions away from saturation. In this work we present a selection of reaction observables in dissipative collisions particularly sensitive to the isovector part of the interaction, i.e. to the symmetry term of the nuclear Equation of State (EoS). At low energies the behavior of the symmetry energy around saturation influences dissipation and fragment production mechanisms. We will first discuss the recently observed Dynamical Dipole Radiation, due to a collective neutron-proton oscillation during the charge equilibration in fusion and deep-inelastic collisions. We will review in detail all the main properties, yield, spectrum, damping and angular distributions, revealing important isospin effects. Reactions induced by unstable 132Sn beams appear to be very promising tools to test the sub-saturation Isovector EoS. Predictions are also presented for deep-inelastic and fragmentation collisions induced by neutron rich projectiles. The importance of studying violent collisions with radioactive beams at low and Fermi energies is finally stressed.

Yb-doped passively mode-locked fiber laser with Bi2Te3-deposited

NASA Astrophysics Data System (ADS)

Li, Lu; Yan, Pei-Guang; Wang, Yong-Gang; Duan, Li-Na; Sun, Hang; Si, Jin-Hai

2015-12-01

In this study we present an all-normal-dispersion Yb-doped fiber laser passively mode-locked with topological insulator (Bi2Te3) saturable absorber. The saturable absorber device is fabricated by depositing Bi2Te3 on a tapered fiber through using pulsed laser deposition (PLD) technology, which can give rise to less non-saturable losses than most of the solution processing methods. Owing to the long interaction length, Bi2Te3 is not exposed to high optical power, which allows the saturable absorber device to work in a high power regime. The modulation depth of this kind of saturable absorber is measured to be 10%. By combining the saturable absorber device with Yb-doped fiber laser, a mode-locked pulse operating at a repetition rate of 19.8 MHz is achieved. The 3-dB spectral width and pulse duration are measured to be 1.245 nm and 317 ps, respectively. Project supported by the National Natural Science Foundation of China (Grant No. 61378024) and the Natural Science Fund of Guangdong Province, China (Grant No. S2013010012235).

The energy transfer mechanism of a perturbed solid-body rotation flow in a rotating pipe

NASA Astrophysics Data System (ADS)

Feng, Chunjuan; Liu, Feng; Rusak, Zvi; Wang, Shixiao

2017-04-01

Three-dimensional direct numerical simulations of a solid-body rotation superposed on a uniform axial flow entering a rotating constant-area pipe of finite length are presented. Steady in time profiles of the radial, axial, and circumferential velocities are imposed at the pipe inlet. Convective boundary conditions are imposed at the pipe outlet. The Wang and Rusak (Phys. Fluids 8:1007-1016, 1996. doi: 10.1063/1.86882) axisymmetric instability mechanism is retrieved at certain operational conditions in terms of incoming flow swirl levels and the Reynolds number. However, at other operational conditions there exists a dominant, three-dimensional spiral type of instability mode that is consistent with the linear stability theory of Wang et al. (J. Fluid Mech. 797: 284-321, 2016). The growth of this mode leads to a spiral type of flow roll-up that subsequently nonlinearly saturates on a large amplitude rotating spiral wave. The energy transfer mechanism between the bulk of the flow and the perturbations is studied by the Reynolds-Orr equation. The production or loss of the perturbation kinetic energy is combined of three components: the viscous loss, the convective loss at the pipe outlet, and the gain of energy at the outlet through the work done by the pressure perturbation. The energy transfer in the nonlinear stage is shown to be a natural extension of the linear stage with a nonlinear saturated process.

The criterion of subscale sufficiency and its application to the relationship between static capillary pressure, saturation and interfacial areas.

PubMed

Kurzeja, Patrick

2016-05-01

Modern imaging techniques, increased simulation capabilities and extended theoretical frameworks, naturally drive the development of multiscale modelling by the question: which new information should be considered? Given the need for concise constitutive relationships and efficient data evaluation; however, one important question is often neglected: which information is sufficient? For this reason, this work introduces the formalized criterion of subscale sufficiency. This criterion states whether a chosen constitutive relationship transfers all necessary information from micro to macroscale within a multiscale framework. It further provides a scheme to improve constitutive relationships. Direct application to static capillary pressure demonstrates usefulness and conditions for subscale sufficiency of saturation and interfacial areas.

Seismoelectric couplings in a poroelastic material containing two immiscible fluid phases

NASA Astrophysics Data System (ADS)

Jardani, A.; Revil, A.

2015-08-01

A new approach of seismoelectric imaging has been recently proposed to detect saturation fronts in which seismic waves are focused in the subsurface to scan its heterogeneous nature and determine saturation fronts. Such type of imaging requires however a complete modelling of the seismoelectric properties of porous media saturated by two immiscible fluid phases, one being usually electrically insulating (for instance water and oil). We combine an extension of Biot dynamic theory, valid for porous media containing two immiscible Newtonian fluids, with an extension of the electrokinetic theory based on the notion of effective volumetric charge densities dragged by the flow of each fluid phase. These effective charge densities can be related directly to the permeability and saturation of each fluid phase. The coupled partial differential equations are solved with the finite element method. We also derive analytically the transfer function connecting the macroscopic electrical field to the acceleration of the fast P wave (coseismic electrical field) and we study the influence of the water content on this coupling. We observe that the amplitude of the co-seismic electrical disturbance is very sensitive to the water content with an increase in amplitude with water saturation. We also investigate the seismoelectric conversions (interface effect) occurring at the water table. We show that the conversion response at the water table can be identifiable only when the saturation contrasts between the vadose and saturated zones are sharp enough. A relatively dry vadose zone represents the best condition to identify the water table through seismoelectric measurements. Indeed, in this case, the coseismic electrical disturbances are vanishingly small compared to the seismoelectric interface response.

Separation behaviors of actinides from rare-earths in molten salt electrorefining using saturated liquid cadmium cathode

NASA Astrophysics Data System (ADS)

Kato, Tetsuya; Inoue, Tadashi; Iwai, Takashi; Arai, Yasuo

2006-10-01

Electrorefining in the molten LiCl-KCl eutectic salt containing actinide (An) and rare-earth (RE) elements was conducted to recover An elements up to 10 wt% into liquid cadmium (Cd) cathode, which is much higher than the solubility of the An elements in liquid Cd at the experimental temperature of 773 K. In the saturated Cd cathode, the An and RE elements were recovered forming a PuCd 11 type compound, MCd 11 (M = An and RE elements). The separation factors of element M against Pu defined as [M/Pu in Cd alloy (cathode)]/[M/Pu in molten salt] were calculated for the saturated Cd cathode including MCd 11. The separation factors were 0.011, 0.044, 0.064, and 0.064 for La, Ce, Pr, and Nd, respectively. These values were a little differed from 0.014, 0.038, 0.044, and 0.043 for the equilibrium unsaturated liquid Cd, respectively. The above slight differences were considered to be caused by the solid phase formation in the saturated Cd cathode and the electrochemical transfer of the An and RE elements in the molten salt.

Hydrodynamic instabilities of flows involving melting in under-saturated porous media

NASA Astrophysics Data System (ADS)

Sajjadi, M.; Azaiez, J.

2016-03-01

The process of melting in partially saturated porous media is modeled for flow displacements prone to hydrodynamic instabilities due to adverse mobility ratios. The effects of the development of instabilities on the melting process are investigated through numerical simulations as well as analytical solution to unravel the physics of the flow. The effects of melting parameters, namely, the melting potential of the fluid, the rate of heat transfer to the frozen phase, and the saturation of the frozen material along with the parameters defining the viscous forces, i.e., the thermal and solutal log mobility ratios are examined. Results are presented for different scenarios and the enhancement or attenuation of instabilities are discussed based on the dominant physical mechanisms. Beside an extensive qualitative analysis, the performance of different displacement scenarios is compared with respect to the melt production and the extent of contribution of instability to the enhancement of melting. It is shown that the hydrodynamic instabilities tend in general to enhance melting but the rate of enhancement depends on the interplay between the instabilities and melting at the thermal front. A larger melting potential and a smaller saturation of the frozen material tend to increase the contribution of instability to melting.

Atomistic modelling of magnetic nano-granular thin films

NASA Astrophysics Data System (ADS)

Agudelo-Giraldo, J. D.; Arbeláez-Echeverry, O. D.; Restrepo-Parra, E.

2018-03-01

In this work, a complete model for studying the magnetic behaviour of polycrystalline thin films at nanoscale was processed. This model includes terms as exchange interaction, dipolar interaction and various types of anisotropies. For the first term, exchange interaction dependence of the distance n was used with purpose of quantify the interaction, mainly in grain boundaries. The third term includes crystalline, surface and boundary anisotropies. Special attention was paid to the disorder vector that determines the loss of cubic symmetry in the crystalline structure. For the case of the dipolar interaction, a similar implementation of the fast multiple method (FMM) was performed. Using these tools, modelling and simulations were developed varying the number of grains, and the results obtained presented a great dependence of the magnetic properties on this parameter. Comparisons between critical temperature and magnetization of saturation depending on the number of grains were performed for samples with and without factors as the surface and boundary anisotropies, and the dipolar interaction. It was observed that the inclusion of these parameters produced a decrease in the critical temperature and the magnetization of saturation; furthermore, in both cases, including and not including the disorder parameters, not only the critical temperature, but also the magnetization of saturation exhibited a range of values that also depend on the number of grains. This presence of a critical interval is due to each grain can transit toward the ferromagnetic state at different values of critical temperature. The processes of Zero field cooling (ZFC), Field cooling (FCC) and field cooling in warming mode (FCW) were necessary for understanding the mono-domain regime around of transition temperature, due to the high probabilities of a Super-paramagnetic (SPM) state.

Saturation of a Ce:Y 3Al 5O 12 scintillator response to ultra-short pulses of extreme ultraviolet soft X-ray and X-ray laser radiation

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

Krzywinski, J.; Andrejczuk, A.; Bionta, R. M.

Investigations of radioluminescence saturation in monocrystalline cerium doped yttrium aluminum garnet (Ce:YAG) exposed to intense extreme ultraviolet (XUV), soft X-ray and X-ray radiation delivered from three free-electron lasers are described in this article. The measurements were performed with wavelengths of 98, 25.6, 13.5 and 0.15 nm. We have found that saturation of the photon yield occurs at an excitation level of 2.0 x 10 20 eV/cm 3 resulting in an emission of 1.5 x 10 18 visible photons per cubic centimeter. This number is much smaller than the concentration of Ce3+ in the scintillator that was equal to 2 xmore » 10 20 cm –3. Because the internal radiance efficiency η does not depend strongly on the irradiating photon energy, i.e., η ≈0.035 ± 0.015 in the range 10 to 100 000 eV, the results presented here could be used to predict saturation effects in scintillator slabs placed in imaging systems of bright XUV, X-ray and particle beams. In conclusion, the saturation of the Ce 3+ emission is explained by mutual quenching of excitons created at high densities, preceding the stage of energy transfer to the Ce 3+ ions.« less

Saturation of a Ce:Y 3Al 5O 12 scintillator response to ultra-short pulses of extreme ultraviolet soft X-ray and X-ray laser radiation

DOE PAGES

Krzywinski, J.; Andrejczuk, A.; Bionta, R. M.; ...

2017-02-01

Investigations of radioluminescence saturation in monocrystalline cerium doped yttrium aluminum garnet (Ce:YAG) exposed to intense extreme ultraviolet (XUV), soft X-ray and X-ray radiation delivered from three free-electron lasers are described in this article. The measurements were performed with wavelengths of 98, 25.6, 13.5 and 0.15 nm. We have found that saturation of the photon yield occurs at an excitation level of 2.0 x 10 20 eV/cm 3 resulting in an emission of 1.5 x 10 18 visible photons per cubic centimeter. This number is much smaller than the concentration of Ce3+ in the scintillator that was equal to 2 xmore » 10 20 cm –3. Because the internal radiance efficiency η does not depend strongly on the irradiating photon energy, i.e., η ≈0.035 ± 0.015 in the range 10 to 100 000 eV, the results presented here could be used to predict saturation effects in scintillator slabs placed in imaging systems of bright XUV, X-ray and particle beams. In conclusion, the saturation of the Ce 3+ emission is explained by mutual quenching of excitons created at high densities, preceding the stage of energy transfer to the Ce 3+ ions.« less

Interactions between behaviorally relevant rhythms and synaptic plasticity alter coding in the piriform cortex

PubMed Central

Urban, Nathaniel N.

2012-01-01

Understanding how neural and behavioral timescales interact to influence cortical activity and stimulus coding is an important issue in sensory neuroscience. In air-breathing animals, voluntary changes in respiratory frequency alter the temporal patterning olfactory input. In the olfactory bulb, these behavioral timescales are reflected in the temporal properties of mitral/tufted (M/T) cell spike trains. As the odor information contained in these spike trains is relayed from the bulb to the cortex, interactions between presynaptic spike timing and short-term synaptic plasticity dictate how stimulus features are represented in cortical spike trains. Here we demonstrate how the timescales associated with respiratory frequency, spike timing and short-term synaptic plasticity interact to shape cortical responses. Specifically, we quantified the timescales of short-term synaptic facilitation and depression at excitatory synapses between bulbar M/T cells and cortical neurons in slices of mouse olfactory cortex. We then used these results to generate simulated M/T population synaptic currents that were injected into real cortical neurons. M/T population inputs were modulated at frequencies consistent with passive respiration or active sniffing. We show how the differential recruitment of short-term plasticity at breathing versus sniffing frequencies alters cortical spike responses. For inputs at sniffing frequencies, cortical neurons linearly encoded increases in presynaptic firing rates with increased phase locked, firing rates. In contrast, at passive breathing frequencies, cortical responses saturated with changes in presynaptic rate. Our results suggest that changes in respiratory behavior can gate the transfer of stimulus information between the olfactory bulb and cortex. PMID:22553016

Comparison of the effect of soft-core potentials and Coulombic potentials on bremsstrahlung during laser matter interaction

NASA Astrophysics Data System (ADS)

Pandit, Rishi R.; Becker, Valerie R.; Barrington, Kasey; Thurston, Jeremy; Ramunno, Lora; Ackad, Edward

2018-04-01

An intense, short laser pulse incident on rare-gas clusters can produce nano-plasmas containing energetic electrons. As these electrons undergo scattering, from both phonons and ions, they emit bremsstrahlung radiation. Here, we compare a theory of bremsstrahlung emission appropriate for the interaction of intense lasers with matter using soft-core potentials and Coulombic potentials. A new scaling for the radiation cross-section and the radiated power via bremsstrahlung is derived for a soft-core potential (which depends on the potential depth) and compared with the Coulomb potential. Calculations using the new scaling are performed for electrons in vacuum ultraviolet, infrared and mid-infrared laser pulses. The radiation cross-section and the radiation power via bremsstrahlung are found to increase rapidly with increases in the potential depth of up to around 200 eV and then become mostly saturated for larger depths while remaining constant for the Coulomb potential. In both cases, the radiation cross-section and the radiation power of bremsstrahlung decrease with increases in the laser wavelength. The ratio of the scattering amplitude for the soft-core potential and that for the Coulombic potential decreases exponentially with an increase in momentum transfer. The bremsstrahlung emission by electrons in plasmas may provide a broadband light source for diagnostics.

Interaction of Huntingtin Exon-1 Peptides with Lipid-Based Micellar Nanoparticles Probed by Solution NMR and Q-Band Pulsed EPR.

PubMed

Ceccon, Alberto; Schmidt, Thomas; Tugarinov, Vitali; Kotler, Samuel A; Schwieters, Charles D; Clore, G Marius

2018-05-23

Lipid-based micellar nanoparticles promote aggregation of huntingtin exon-1 peptides. Here we characterize the interaction of two such peptides, htt NT Q  7 and htt NT Q  10 comprising the N-terminal amphiphilic domain of huntingtin followed by 7 and 10 glutamine repeats, respectively, with 8 nm lipid micelles using NMR chemical exchange saturation transfer (CEST), circular dichroism and pulsed Q-band EPR. Exchange between free and micelle-bound htt NT Q  n peptides occurs on the millisecond time scale with a K D ∼ 0.5-1 mM. Upon binding micelles, residues 1-15 adopt a helical conformation. Oxidation of Met 7 to a sulfoxide reduces the binding affinity for micelles ∼3-4-fold and increases the length of the helix by a further two residues. A structure of the bound monomer unit is calculated from the backbone chemical shifts of the micelle-bound state obtained from CEST. Pulsed Q-band EPR shows that a monomer-dimer equilibrium exists on the surface of the micelles and that the two helices of the dimer adopt a parallel orientation, thereby bringing two disordered polyQ tails into close proximity which may promote aggregation upon dissociation from the micelle surface.

Monte Carlo simulations of mixtures involving ketones and aldehydes by a direct bubble pressure calculation.

PubMed

Ferrando, Nicolas; Lachet, Véronique; Boutin, Anne

2010-07-08

Ketone and aldehyde molecules are involved in a large variety of industrial applications. Because they are mainly present mixed with other compounds, the prediction of phase equilibrium of mixtures involving these classes of molecules is of first interest particularly to design and optimize separation processes. The main goal of this work is to propose a transferable force field for ketones and aldehydes that allows accurate molecular simulations of not only pure compounds but also complex mixtures. The proposed force field is based on the anisotropic united-atoms AUA4 potential developed for hydrocarbons, and it introduces only one new atom, the carbonyl oxygen. The Lennard-Jones parameters of this oxygen atom have been adjusted on saturated thermodynamic properties of both acetone and acetaldehyde. To simulate mixtures, Monte Carlo simulations are carried out in a specific pseudoensemble which allows a direct calculation of the bubble pressure. For polar mixtures involved in this study, we show that this approach is an interesting alternative to classical calculations in the isothermal-isobaric Gibbs ensemble. The pressure-composition diagrams of polar + polar and polar + nonpolar binary mixtures are well reproduced. Mutual solubilities as well as azeotrope location, if present, are accurately predicted without any empirical binary interaction parameters or readjustment. Such result highlights the transferability of the proposed force field, which is an essential feature toward the simulation of complex oxygenated mixtures of industrial interest.

Influence of the nuclear matter equation of state on the r-mode instability using the finite-range simple effective interaction

NASA Astrophysics Data System (ADS)

Pattnaik, S. P.; Routray, T. R.; Viñas, X.; Basu, D. N.; Centelles, M.; Madhuri, K.; Behera, B.

2018-05-01

The characteristic physical properties of rotating neutron stars under the r-mode oscillation are evaluated using the finite-range simple effective interaction. Emphasis is given on examining the influence of the stiffness of both the symmetric and asymmetric parts of the nuclear equation of state on these properties. The amplitude of the r-mode at saturation is calculated using the data of particular neutron stars from the considerations of ‘spin equilibrium’ and ‘thermal equilibrium’. The upper limit of the r-mode saturation amplitude is found to lie in the range 10‑8–10‑6, in agreement with the predictions of earlier work.

Two-body contributions to the effective mass in nuclear effective interactions

NASA Astrophysics Data System (ADS)

Davesne, D.; Navarro, J.; Meyer, J.; Bennaceur, K.; Pastore, A.

2018-04-01

Starting from general expressions of well-chosen symmetric nuclear matter quantities derived for both zero- and finite-range effective theories, we derive some universal relations between them. We first show that, independently of the range, the two-body contribution is enough to describe correctly the saturation mechanism but gives an effective mass value around m*/m ≃0.4 when the other properties of the saturation point are set near their generally accepted values. Then, we show that a more elaborated interaction (for instance, an effective two-body density-dependent term on top of the pure two-body term) is needed to reach the accepted value m*/m ≃0.7 -0.8 .

Effects of molecular size and structure on self-diffusion coefficient and viscosity for saturated hydrocarbons having six carbon atoms.

PubMed

Iwahashi, Makio; Kasahara, Yasutoshi

2007-01-01

Self-diffusion coefficients and viscosities for the saturated hydrocarbons having six carbon atoms such as hexane, 2-methylpentane (2MP), 3-methylpentane (3MP), 2,2-dimethylbutane (22DMB), 2,3-dimethylbutane (23DMB), methylcyclopentane (McP) and cyclohexane (cH) were measured at various constant temperatures; obtained results were discussed in connection with their molar volumes, molecular structures and thermodynamic properties. The values of self-diffusion coefficients as the microscopic property were inversely proportional to those of viscosities as the macroscopic property. The order of their viscosities was almost same to those of their melting temperatures and enthalpies of fusion, which reflect the attractive interactions among their molecules. On the other hand, the order of the self-diffusion coefficients inversely related to the order of the melting temperatures and the enthalpies of the fusion. Namely, the compound having the larger attractive interaction mostly shows the less mobility in its liquid state, e.g., cyclohexane (cH), having the largest attractive interaction and the smallest molar volume exhibits an extremely large viscosity and small self-diffusion coefficient comparing with other hydrocarbons. However, a significant exception was 22DMB, being most close to a sphere: In spite of the smallest attractive interaction and the largest molar volume of 22DMB in the all samples, it has the thirdly larger viscosity and the thirdly smaller self-diffusion coefficient. Consequently, the dynamical properties such as self-diffusion and viscosity for the saturated hydrocarbons are determined not only by their attractive interactions but also by their molecular structures.

Monitoring glycolipid transfer protein activity and membrane interaction with the surface plasmon resonance technique.

PubMed

Ohvo-Rekilä, Henna; Mattjus, Peter

2011-01-01

The glycolipid transfer protein (GLTP) is a protein capable of binding and transferring glycolipids. GLTP is cytosolic and it can interact through its FFAT-like (two phenylalanines in an acidic tract) motif with proteins localized on the surface of the endoplasmic reticulum. Previous in vitro work with GLTP has focused mainly on the complete transfer reaction of the protein, that is, binding and subsequent removal of the glycolipid from the donor membrane, transfer through the aqueous environment, and the final release of the glycolipid to an acceptor membrane. Using bilayer vesicles and surface plasmon resonance spectroscopy, we have now, for the first time, analyzed the binding and lipid removal capacity of GLTP with a completely label-free technique. This technique is focused on the initial steps in GLTP-mediated transfer and the parameters affecting these steps can be more precisely determined. We used the new approach for detailed structure-function studies of GLTP by examining the glycolipid transfer capacity of specific GLTP tryptophan mutants. Tryptophan 96 is crucial for the transfer activity of the protein and tryptophan 142 is an important part of the proteins membrane interacting domain. Further, we varied the composition of the used lipid vesicles and gained information on the effect of membrane properties on GLTP activity. GLTP prefers to interact with more tightly packed membranes, although GLTP-mediated transfer is faster from more fluid membranes. This technique is very useful for the study of membrane-protein interactions and lipid-transfer rates and it can easily be adapted to other membrane-interacting proteins. Copyright © 2010 Elsevier B.V. All rights reserved.

Synchronization of multiple 3-DOF helicopters under actuator faults and saturations with prescribed performance.

PubMed

Yang, Huiliao; Jiang, Bin; Yang, Hao; Liu, Hugh H T

2018-04-01

The distributed cooperative control strategy is proposed to make the networked nonlinear 3-DOF helicopters achieve the attitude synchronization in the presence of actuator faults and saturations. Based on robust adaptive control, the proposed control method can both compensate the uncertain partial loss of control effectiveness and deal with the system uncertainties. To address actuator saturation problem, the control scheme is designed to ensure that the saturation constraint on the actuation will not be violated during the operation in spite of the actuator faults. It is shown that with the proposed control strategy, both the tracking errors of the leading helicopter and the attitude synchronization errors of each following helicopter are bounded in the existence of faulty actuators and actuator saturations. Moreover, the state responses of the entire group would not exceed the predesigned performance functions which are totally independent from the underlaying interaction topology. Simulation results illustrate the effectiveness of the proposed control scheme. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

A 1H NMR method for the analysis of antigen-antibody interactions: binding of a peptide fragment of lysozyme to anti-lysozyme monoclonal antibody.

PubMed

Ito, W; Nishimura, M; Sakato, N; Fujio, H; Arata, Y

1987-09-01

A proton nuclear magnetic resonance (NMR) study is reported of the molecular structural basis of antigen-antibody interactions. An immunologically reactive proteolytic fragment corresponding to one of the antigenic regions on hen egg-white lysozyme (HEL) was used in combination with a monoclonal antibody that recognizes this site. Using spin diffusion, we prepared an antibody in which the magnetization of the antigen binding site was saturated by non-specific nuclear Overhauser effect. Under these conditions the effect of the saturation of the antibody was observed to spread over the peptide fragment through the antigen binding site. On the basis of the results obtained for the intermolecular nuclear Overhauser effect, we discuss how the peptide fragment interacts with the antibody. The side chains of aromatic residues, Trp, Tyr, and His, and of ionic residues, especially Arg, Lys, and Glu, are suggested to be important in the antigen-antibody interaction.

Stable high-power saturable absorber based on polymer-black-phosphorus films

NASA Astrophysics Data System (ADS)

Mao, Dong; Li, Mingkun; Cui, Xiaoqi; Zhang, Wending; Lu, Hua; Song, Kun; Zhao, Jianlin

2018-01-01

Black phosphorus (BP), a rising two-dimensional material with a layer-number-dependent direct bandgap of 0.3-1.5 eV, is very interesting for optoelectronics applications from near- to mid-infrared wavebands. In the atmosphere, few-layer BP tends to be oxidized or degenerated during interacting with lasers. Here, we fabricate few-layer BP nanosheets based on a liquid exfoliation method using N-methylpyrrolidone as the dispersion liquid. By incorporating BP nanosheets with polymers (polyvinyl alcohol or high-melting-point polyimide), two flexible filmy BP saturable absorbers are fabricated to realize passive mode locking in erbium-doped fiber lasers. The polymer-BP saturable absorber, especially the polyimide-BP saturable absorber, can prevent the oxidation or water-induced etching under high-power laser illuminations, providing a promising candidate for Q-switchers, mode lockers, and light modulators.

Evaporation heat transfer of carbon dioxide at low temperature inside a horizontal smooth tube

NASA Astrophysics Data System (ADS)

Yoon, Jung-In; Son, Chang-Hyo; Jung, Suk-Ho; Jeon, Min-Ju; Yang, Dong-Il

2017-05-01

In this paper, the evaporation heat transfer coefficient of carbon dioxide at low temperature of -30 to -20 °C in a horizontal smooth tube was investigated experimentally. The test devices consist of mass flowmeter, pre-heater, magnetic gear pump, test section (evaporator), condenser and liquid receiver. Test section is made of cooper tube. Inner and outer diameter of the test section is 8 and 9.52 mm, respectively. The experiment is conducted at mass fluxes from 100 to 300 kg/m2 s, saturation temperature from -30 to -20 °C. The main results are summarized as follows: In case that the mass flux of carbon dioxide is 100 kg/m2 s, the evaporation heat transfer coefficient is almost constant regardless of vapor quality. In case of 200 and 300 kg/m2 s, the evaporation heat transfer coefficient increases steadily with increasing vapor quality. For the same mass flux, the evaporation heat transfer coefficient increases as the evaporation temperature of the refrigerant decreases. In comparison of heat transfer correlations with the experimental result, the evaporation heat transfer correlations do not predict them exactly. Therefore, more accurate heat transfer correlation than the previous one is required.

Laser scanning saturated structured illumination microscopy based on phase modulation

NASA Astrophysics Data System (ADS)

Huang, Yujia; Zhu, Dazhao; Jin, Luhong; Kuang, Cuifang; Xu, Yingke; Liu, Xu

2017-08-01

Wide-field saturated structured illumination microscopy has not been widely used due to the requirement of high laser power. We propose a novel method called laser scanning saturated structured illumination microscopy (LS-SSIM), which introduces high order of harmonics frequency and greatly reduces the required laser power for SSIM imaging. To accomplish that, an excitation PSF with two peaks is generated and scanned along different directions on the sample. Raw images are recorded cumulatively by a CCD detector and then reconstructed to form a high-resolution image with extended optical transfer function (OTF). Our theoretical analysis and simulation results show that LS-SSIM method reaches a resolution of 0.16 λ, equivalent to 2.7-fold resolution than conventional wide-field microscopy. In addition, LS-SSIM greatly improves the optical sectioning capability of conventional wide-field illumination system by diminishing our-of-focus light. Furthermore, this modality has the advantage of implementation in multi-photon microscopy with point scanning excitation to image samples in greater depths.

Friction and transfer of copper, silver, and gold to iron in the presence of various adsorbed surface films

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1979-01-01

Sliding friction experiments were conducted with the noble metals copper, silver, and gold and two binary alloys of these metals contacting iron in the presence of various adsorbates including, oxygen, methyl mercaptan, and methyl chloride. A pin on disk specimen configuration was used with a load of 100 grams, sliding velocity of 60 mm/min; at 25 C with the surfaces saturated with the adsorbates. Auger emission spectroscopy was used to monitor surface films. Results of the experiments indicate that friction and transfer characteristics are highly specific with respect to both the noble metal and surface film present. With all three metals and films transfer of the noble metal to iron occurred very rapidly. With all metals and films transfer of the noble metal to iron continuously increased with repeated passes except for silver and copper sliding on iron sulfide.

High-frequency self-aligned graphene transistors with transferred gate stacks.

PubMed

Cheng, Rui; Bai, Jingwei; Liao, Lei; Zhou, Hailong; Chen, Yu; Liu, Lixin; Lin, Yung-Chen; Jiang, Shan; Huang, Yu; Duan, Xiangfeng

2012-07-17

Graphene has attracted enormous attention for radio-frequency transistor applications because of its exceptional high carrier mobility, high carrier saturation velocity, and large critical current density. Herein we report a new approach for the scalable fabrication of high-performance graphene transistors with transferred gate stacks. Specifically, arrays of gate stacks are first patterned on a sacrificial substrate, and then transferred onto arbitrary substrates with graphene on top. A self-aligned process, enabled by the unique structure of the transferred gate stacks, is then used to position precisely the source and drain electrodes with minimized access resistance or parasitic capacitance. This process has therefore enabled scalable fabrication of self-aligned graphene transistors with unprecedented performance including a record-high cutoff frequency up to 427 GHz. Our study defines a unique pathway to large-scale fabrication of high-performance graphene transistors, and holds significant potential for future application of graphene-based devices in ultra-high-frequency circuits.

Sensitivity of stand transpiration to wind velocity in a mixed broadleaved deciduous forest

Treesearch

Dohyoung Kim; Ram Oren; A. Christopher Oishi; Cheng-I Hsieh; Nathan Phillips; Kimberly A. Novick; Paul C. Stoy

2014-01-01

Wind velocity (U) within and above forest canopies can alter the coupling between the vapor-saturated sub-stomatal airspace and the drier atmosphere aloft, thereby influencing transpiration rates. In practice, however, the actual increase in transpiration with increasing U depends on the aerodynamic resistance (RA) to vapor transfer compared to canopy resistance to...

Transport Phenomena Projects: Natural Convection between Porous, Concentric Cylinders--A Method to Learn and to Innovate

ERIC Educational Resources Information Center

Saatadjian, Esteban; Lesage, Francois; Mota, Jose Paulo B.

2013-01-01

A project that involves the numerical simulation of transport phenomena is an excellent method to teach this subject to senior/graduate chemical engineering students. The subject presented here has been used in our senior/graduate course, it concerns the study of natural convection heat transfer between two concentric, horizontal, saturated porous…

Crystallization of accessory phases in magmas by local saturation adjacent to phenocrysts

USGS Publications Warehouse

Bacon, C.R.

1989-01-01

Accessory minerals commonly occur attached to or included in the major crystalline phases of felsic and some intermediate igneous rocks. Apatite is particularly common as inclusions, but Fe-Ti oxides, pyrrhotite, zircon, monazite, chevkinite and xenotime are also known from silicic rocks. Accessories may nucleate near the host crystal/ liquid interface as a result of local saturation owing to formation of a differentiated chemical boundary layer in which accessory mineral solubility would be lower than in the surrounding liquid. Differentiation of this boundary layer would be greatest adjacent to ferromagnesian phenocrysts, especially Fe-Ti oxides; it is with oxides that accessories are most commonly associated in rocks. A boundary layer may develop if the crystal grows more rapidly than diffusion can transport incorporated and rejected elements to and from the phenocryst. Diffusion must dominate over convection as a mode of mass transfer near the advancing crystal/liquid interface in order for a boundary layer to exist. Accumulation of essential structural constituent elements of accessory minerals owing to their slow diffusion in evolved silicate melt also may force local saturation, but this is not a process that applies to all cases. Local saturation is an attractive mechanism for enhancing fractionation during crystallization differentiation. If accessory minerals attached to or included in phenocrysts formed because of local saturation, their host phenocrysts must have grown rapidly when accessories nucleated in comparison to lifetimes of magma reservoirs. Some inconsistencies remain in a local saturation origin for accessory phases that cannot be evaluated without additional information. ?? 1989.

Proton transfer pathways, energy landscape, and kinetics in creatine-water systems.

PubMed

Ivchenko, Olga; Whittleston, Chris S; Carr, Joanne M; Imhof, Petra; Goerke, Steffen; Bachert, Peter; Wales, David J

2014-02-27

We study the exchange processes of the metabolite creatine, which is present in both tumorous and normal tissues and has NH2 and NH groups that can transfer protons to water. Creatine produces chemical exchange saturation transfer (CEST) contrast in magnetic resonance imaging (MRI). The proton transfer pathway from zwitterionic creatine to water is examined using a kinetic transition network constructed from the discrete path sampling approach and an approximate quantum-chemical energy function, employing the self-consistent-charge density-functional tight-binding (SCC-DFTB) method. The resulting potential energy surface is visualized by constructing disconnectivity graphs. The energy landscape consists of two distinct regions corresponding to the zwitterionic creatine structures and deprotonated creatine. The activation energy that characterizes the proton transfer from the creatine NH2 group to water was determined from an Arrhenius fit of rate constants as a function of temperature, obtained from harmonic transition state theory. The result is in reasonable agreement with values obtained in water exchange spectroscopy (WEX) experiments.

Indirect estimation of the Convective Lognormal Transfer function model parameters for describing solute transport in unsaturated and undisturbed soil.

PubMed

Mohammadi, Mohammad Hossein; Vanclooster, Marnik

2012-05-01

Solute transport in partially saturated soils is largely affected by fluid velocity distribution and pore size distribution within the solute transport domain. Hence, it is possible to describe the solute transport process in terms of the pore size distribution of the soil, and indirectly in terms of the soil hydraulic properties. In this paper, we present a conceptual approach that allows predicting the parameters of the Convective Lognormal Transfer model from knowledge of soil moisture and the Soil Moisture Characteristic (SMC), parameterized by means of the closed-form model of Kosugi (1996). It is assumed that in partially saturated conditions, the air filled pore volume act as an inert solid phase, allowing the use of the Arya et al. (1999) pragmatic approach to estimate solute travel time statistics from the saturation degree and SMC parameters. The approach is evaluated using a set of partially saturated transport experiments as presented by Mohammadi and Vanclooster (2011). Experimental results showed that the mean solute travel time, μ(t), increases proportionally with the depth (travel distance) and decreases with flow rate. The variance of solute travel time σ²(t) first decreases with flow rate up to 0.4-0.6 Ks and subsequently increases. For all tested BTCs predicted solute transport with μ(t) estimated from the conceptual model performed much better as compared to predictions with μ(t) and σ²(t) estimated from calibration of solute transport at shallow soil depths. The use of μ(t) estimated from the conceptual model therefore increases the robustness of the CLT model in predicting solute transport in heterogeneous soils at larger depths. In view of the fact that reasonable indirect estimates of the SMC can be made from basic soil properties using pedotransfer functions, the presented approach may be useful for predicting solute transport at field or watershed scales. Copyright © 2012 Elsevier B.V. All rights reserved.

Biodegradation of phenol, salicylic acid, benzenesulfonic acid, and iomeprol by Pseudomonas fluorescens in the capillary fringe

NASA Astrophysics Data System (ADS)

Hack, Norman; Reinwand, Christian; Abbt-Braun, Gudrun; Horn, Harald; Frimmel, Fritz H.

2015-12-01

Mass transfer and biological transformation phenomena in the capillary fringe were studied using phenol, salicylic acid, benzenesulfonic acid, and the iodinated X-ray contrast agent iomeprol as model organic compounds and the microorganism strain Pseudomonas fluorescens. Three experimental approaches were used: Batch experiments (uniform water saturation and transport by diffusion), in static columns (with a gradient of water saturation and advective transport in the capillaries) and in a flow-through cell (with a gradient of water saturation and transport by horizontal and vertical flow: 2-dimension flow-through microcosm). The reactors employed for the experiments were filled with quartz sand of defined particle size distribution (dp = 200…600 μm, porosity ε = 0.42). Batch experiments showed that phenol and salicylic acid have a high, whereas benzenesulfonic acid and iomeprol have a quite low potential for biodegradation under aerobic conditions and in a matrix nearly close to water saturation. Batch experiments under anoxic conditions with nitrate as electron acceptor revealed that the biodegradation of the model compounds was lower than under aerobic conditions. Nevertheless, the experiments showed that the moisture content was also responsible for an optimized transport in the liquid phase of a porous medium. Biodegradation in the capillary fringe was found to be influenced by both the moisture content and availability of the dissolved substrate, as seen in static column experiments. The gas-liquid mass transfer of oxygen also played an important role for the biological activity. In static column experiments under aerobic conditions, the highest biodegradation was found in the capillary fringe (e.g. βt/β0 (phenol) = 0 after t = 6 d) relative to the zone below the water table and unsaturated zone. The highest biodegradation occurred in the flow-through cell experiment where the height of the capillary fringe was largest.

Biodegradation of phenol, salicylic acid, benzenesulfonic acid, and iomeprol by Pseudomonas fluorescens in the capillary fringe.

PubMed

Hack, Norman; Reinwand, Christian; Abbt-Braun, Gudrun; Horn, Harald; Frimmel, Fritz H

2015-12-01

Mass transfer and biological transformation phenomena in the capillary fringe were studied using phenol, salicylic acid, benzenesulfonic acid, and the iodinated X-ray contrast agent iomeprol as model organic compounds and the microorganism strain Pseudomonas fluorescens. Three experimental approaches were used: Batch experiments (uniform water saturation and transport by diffusion), in static columns (with a gradient of water saturation and advective transport in the capillaries) and in a flow-through cell (with a gradient of water saturation and transport by horizontal and vertical flow: 2-dimension flow-through microcosm). The reactors employed for the experiments were filled with quartz sand of defined particle size distribution (dp=200...600 μm, porosity ε=0.42). Batch experiments showed that phenol and salicylic acid have a high, whereas benzenesulfonic acid and iomeprol have a quite low potential for biodegradation under aerobic conditions and in a matrix nearly close to water saturation. Batch experiments under anoxic conditions with nitrate as electron acceptor revealed that the biodegradation of the model compounds was lower than under aerobic conditions. Nevertheless, the experiments showed that the moisture content was also responsible for an optimized transport in the liquid phase of a porous medium. Biodegradation in the capillary fringe was found to be influenced by both the moisture content and availability of the dissolved substrate, as seen in static column experiments. The gas-liquid mass transfer of oxygen also played an important role for the biological activity. In static column experiments under aerobic conditions, the highest biodegradation was found in the capillary fringe (e.g. βt/β0 (phenol)=0 after t=6 d) relative to the zone below the water table and unsaturated zone. The highest biodegradation occurred in the flow-through cell experiment where the height of the capillary fringe was largest. Copyright © 2015 Elsevier B.V. All rights reserved.

Indirect estimation of the Convective Lognormal Transfer function model parameters for describing solute transport in unsaturated and undisturbed soil

NASA Astrophysics Data System (ADS)

Mohammadi, Mohammad Hossein; Vanclooster, Marnik

2012-05-01

Solute transport in partially saturated soils is largely affected by fluid velocity distribution and pore size distribution within the solute transport domain. Hence, it is possible to describe the solute transport process in terms of the pore size distribution of the soil, and indirectly in terms of the soil hydraulic properties. In this paper, we present a conceptual approach that allows predicting the parameters of the Convective Lognormal Transfer model from knowledge of soil moisture and the Soil Moisture Characteristic (SMC), parameterized by means of the closed-form model of Kosugi (1996). It is assumed that in partially saturated conditions, the air filled pore volume act as an inert solid phase, allowing the use of the Arya et al. (1999) pragmatic approach to estimate solute travel time statistics from the saturation degree and SMC parameters. The approach is evaluated using a set of partially saturated transport experiments as presented by Mohammadi and Vanclooster (2011). Experimental results showed that the mean solute travel time, μt, increases proportionally with the depth (travel distance) and decreases with flow rate. The variance of solute travel time σ2t first decreases with flow rate up to 0.4-0.6 Ks and subsequently increases. For all tested BTCs predicted solute transport with μt estimated from the conceptual model performed much better as compared to predictions with μt and σ2t estimated from calibration of solute transport at shallow soil depths. The use of μt estimated from the conceptual model therefore increases the robustness of the CLT model in predicting solute transport in heterogeneous soils at larger depths. In view of the fact that reasonable indirect estimates of the SMC can be made from basic soil properties using pedotransfer functions, the presented approach may be useful for predicting solute transport at field or watershed scales.

Nonlinear optical response and its theoretical modelling of Sb2S3 nanorod

NASA Astrophysics Data System (ADS)

Yadav, Rajesh Kumar; Barik, A. R.; Das, Amlan; Adarsh, K. V.

2018-05-01

Light-matter interaction in nanoscale regime have unprecedented and accelerating demand in optoelectronics, valley electronics and device applications. Such interaction in 1-dimention (1D) metal chalcogenides has emerged as an important research topic because of its possibility to custom design optical properties, implying enormous application including optical computers, communications, bioimaging, and so on. However, understanding of nonlinear optical response of these nanostructures is still lacking, although it constitutes an interesting problem on the light-matter interaction. Here, we have presented the nonlinear optical response in Sb2S3 nanorod using Z-scan technique. Our experimental findings show a strong saturable absorption (SA). In this context, we have numerically simulated the experimental result using two level rate equation. The solutions of these two-level rate equation for a Gaussian shaped pulse exactly replicated the experimental data. From the best numerical fit, we found excited state decay time (τ ≈ 0.15ns) and saturation intensity (IS ≈ 0.01 GW/cm2). Additionally, we have calculated number of career density (N ≈ 5.31 × 10-17 cm-3), ground state absorption cross section (σ1 ≈ 1.63 × 10-17 cm2). Our experimental finding indicates that they can be employed as saturable absorbers.

Equation of State for Isospin Asymmetric Nuclear Matter Using Lane Potential

NASA Astrophysics Data System (ADS)

Basu, D. N.; Chowdhury, P. Roy; Samanta, C.

2006-10-01

A mean field calculation for obtaining the equation of state (EOS) for symmetric nuclear matter from a density dependent M3Y interaction supplemented by a zero-range potential is described. The energy per nucleon is minimized to obtain the ground state of symmetric nuclear matter. The saturation energy per nucleon used for nuclear matter calculations is determined from the co-efficient of the volume term of Bethe--Weizsäcker mass formula which is evaluated by fitting the recent experimental and estimated atomic mass excesses from Audi--Wapstra--Thibault atomic mass table by minimizing the mean square deviation. The constants of density dependence of the effective interaction are obtained by reproducing the saturation energy per nucleon and the saturation density of spin and isospin symmetric cold infinite nuclear matter. The EOS of symmetric nuclear matter, thus obtained, provide reasonably good estimate of nuclear incompressibility. Once the constants of density dependence are determined, EOS for asymmetric nuclear matter is calculated by adding to the isoscalar part, the isovector component of the M3Y interaction that do not contribute to the EOS of symmetric nuclear matter. These EOS are then used to calculate the pressure, the energy density and the velocity of sound in symmetric as well as isospin asymmetric nuclear matter.

Rhodopsin-lipid interactions studied by NMR.

PubMed

Soubias, Olivier; Gawrisch, Klaus

2013-01-01

The biophysical properties of the lipid matrix are known to influence function of integral membrane proteins. We report on a sample preparation method for reconstitution of membrane proteins which uses porous anodic aluminum oxide (AAO) filters with 200-nm-wide pores of high density. The substrate permits formation of tubular, single membranes that line the inner surface of pores. One square centimeter of filter with a thickness of 60μm yields on the order of 500cm(2) of solid-supported single bilayer surface, sufficient for NMR studies. The tubular bilayers are free of detergent, fully hydrated, and accessible for ligands from one side of the membrane. The use of AAO filters greatly improves reproducibility of the reconstitution process such that the influence of protein on lipid order parameters can be studied with high resolution. As an example, results for the G protein-coupled receptor of class A, bovine rhodopsin, are shown. By (2)H NMR order parameter measurements, it is detected that rhodopsin insertion elastically deforms membranes near the protein. Furthermore, by (1)H saturation-transfer NMR under conditions of magic angle spinning, we demonstrate detection of preferences in interactions of rhodopsin with particular lipid species. It is assumed that function of integral membrane proteins depends on both protein-induced elastic deformations of the lipid matrix and preferences for interaction of the protein with particular lipid species in the first layer of lipids surrounding the protein. Copyright © 2013 Elsevier Inc. All rights reserved.

Cex1p is a novel cytoplasmic component of the Saccharomyces cerevisiae nuclear tRNA export machinery

PubMed Central

McGuire, Andrew T; Mangroo, Dev

2007-01-01

The Saccharomyces cerevisiae Yor112wp, which we named Cex1p, was identified using a yeast tRNA three-hybrid interaction approach and an in vivo nuclear tRNA export assay as a cytoplasmic component of the nuclear tRNA export machinery. Cex1p binds tRNA saturably, and associates with the nuclear pore complex by interacting directly with Nup116p. Cex1p co-purifies with the nuclear tRNA export receptors Los1p and Msn5p, the eukaryotic elongation factor eEF-1A, which delivers aminoacylated tRNAs to the ribosome, and the RanGTPase Gsp1p, but not with Cca1p, a tRNA maturation enzyme that facilitates translocation of non-aminoacylated tRNAs across the nuclear pore complex. Depletion of Cex1p and eEF-1A or Los1p significantly reduced the efficiency of nuclear tRNA export. Cex1p interacts with Los1p but not with eEF-1A in vitro. These findings suggest that Cex1p is a component of the nuclear aminoacylation-dependent tRNA export pathway in S. cerevisiae. They also suggest that Cex1p collects aminoacyl-tRNAs from the nuclear export receptors at the cytoplasmic side of the nuclear pore complex, and transfers them to eEF-1A using a channelling mechanism. PMID:17203074

A novel BRET-based binding assay for interaction studies of relaxin family peptide receptor 3 with its ligands.

PubMed

Wang, Jia-Hui; Shao, Xiao-Xia; Hu, Meng-Jun; Wei, Dian; Liu, Ya-Li; Xu, Zeng-Guang; Guo, Zhan-Yun

2017-05-01

Relaxin family peptide receptor 3 (RXFP3) is an A-class G protein-coupled receptor that is implicated in the regulation of food intake and stress response upon activation by its cognate agonist relaxin-3. To study its interaction with various ligands, we developed a novel bioluminescence resonance energy transfer (BRET)-based binding assay using the brightest NanoLuc as an energy donor and a newly developed cyan-excitable orange fluorescent protein (CyOFP) as an energy acceptor. An engineered CyOFP without intrinsic cysteine residues but with an introduced cysteine at the C-terminus was overexpressed in Escherichia coli and chemically conjugated to the A-chain N-terminus of an easily labeled chimeric R3/I5 peptide via an intermolecular disulfide linkage. After the CyOFP-conjugated R3/I5 bound to a shortened human RXFP3 (removal of 33 N-terminal residues) fused with the NanoLuc reporter at the N-terminus, high BRET signals were detected. Saturation binding and real-time binding assays demonstrated that this BRET pair retained high binding affinity with fast association/dissociation. Using this BRET pair, binding potencies of various ligands with RXFP3 were conveniently measured through competition binding assays. Thus, the novel BRET-based binding assay facilitates interaction studies of RXFP3 with various ligands. The engineered CyOFP without intrinsic cysteine residues may also be applied to other BRET-based binding assays in future studies.

Transport and Reactivity of Engineered Nanoparticles in Partially Saturated Porous Media

NASA Astrophysics Data System (ADS)

Dror, I.; Yecheskel, Y.; Berkowitz, B.

2015-12-01

Engineered nanoparticles (ENPs) are being produced in increasing amounts and have numerous applications in a variety of products and industrial processes. The same properties that make these substances so appealing may also cause them to act as persistent and toxic pollutants. The post-use release of ENPs to the environment is inevitable and soil appears to be one of the largest sinks of these potential contaminants. To date, despite the significant attention that ENP behavior in the environment has received, only a few studies have considered the fate and transport of ENPs in partially saturated systems. Here, we report measurements on the transport and fate of three commonly used ENPs - silver (Ag), gold (Au) and zinc oxide (ZnO) - in partially saturated porous media. The results show that ENP interactions with the solid matrix and solution components affect the fate of the ENPs and their transport. The negatively charged ENPs (AgNPs and AuNPs) are shown to be mobile in sand (which is also negatively charged) under various conditions, including water saturation levels and inlet concentration, with transport behavior resembling conservative tracer movement. Various aging scenarios were considered and the interaction of AgNPs with sulfides, chlorides, and calcium ions, all of which are known to interact and change AgNP properties, are shown to affect AgNP fate; however, in some cases, the changed particles remained suspended in solution and mobile. The positively charged ZnO showed very low mobility, but when humic acid was present in the inlet solution, interactions leading to enhanced mobility were observed. The presence of humic acid also changes ENP size and surface charge, transforming them to negatively charged larger aggregates that can be transported through the sand. Finally, remobilization of particles that were retained in the porous media was also demonstrated for ZnO ENPs, indicating possible release of entrapped ENPs upon changes in solution chemistry.

Theoretical analysis for condensation heat transfer of binary refrigerant mixtures with annular flow in horizontal mini-tubes

NASA Astrophysics Data System (ADS)

Zhang, Hui-Yong; Li, Jun-Ming; Sun, Ji-Liang; Wang, Bu-Xuan

2016-01-01

A theoretical model is developed for condensation heat transfer of binary refrigerant mixtures in mini-tubes with diameter about 1.0 mm. Condensation heat transfer of R410A and R32/R134a mixtures at different mass fluxes and saturated temperatures are analyzed, assuming that the phase flow pattern is annular flow. The results indicate that there exists a maximum interface temperature at the beginning of condensation process for azeotropic and zeotropic mixtures and the corresponding vapor quality to the maximum value increases with mass flux. The effects of mass flux, heat flux, surface tension and tube diameter are analyzed. As expected, the condensation heat transfer coefficients increase with mass flux and vapor quality, and increase faster in high vapor quality region. It is found that the effects of heat flux and surface tension are not so obvious as that of tube diameter. The characteristics of condensation heat transfer of zeotropic mixtures are consistent to those of azeotropic refrigerant mixtures. The condensation heat transfer coefficients increase with the concentration of the less volatile component in binary mixtures.

Transfer cell wall ingrowths and vein loading characteristics in pea leaf discs. [Pisum sativum

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

Wimmers, L.E.; Turgeon, R.

1987-04-01

Transfer cell wall ingrowths are thought to increase transport capacity by increasing plasmalemma surface area. Leaf minor vein phloem transfer cells presumably enhance phloem loading. In Pisum sativum cv. Little marvel grown under different light regimes (150 to 1000 ..mu..mol photons m/sup -2/ sec/sup -1/) there is a positive correlation between light intensity and wall ingrowth area in phloem transfer cells. The extent of ingrowth and correlation to light intensity is greatest in minor veins, decreasing as vein size increases. Vein loading was assayed by floating abraded leaf discs on /sup 14/C-sucrose (10 mM). There is a positive correlation betweenmore » uptake and transfer cell wall area, although the latter increased more than the former. The difference in uptake is stable throughout the photoperiod, and is also stable in mature leaves for at least four days after plants are transfered to a different light intensity. Sucrose uptake is biphasic. The saturable component of uptake is sensitive to light intensity, the Km for sucrose is negatively correlated to light intensity, while V/sub max/remains unchanged.« less

Robust wireless power transfer using a nonlinear parity-time-symmetric circuit.

PubMed

Assawaworrarit, Sid; Yu, Xiaofang; Fan, Shanhui

2017-06-14

Considerable progress in wireless power transfer has been made in the realm of non-radiative transfer, which employs magnetic-field coupling in the near field. A combination of circuit resonance and impedance transformation is often used to help to achieve efficient transfer of power over a predetermined distance of about the size of the resonators. The development of non-radiative wireless power transfer has paved the way towards real-world applications such as wireless powering of implantable medical devices and wireless charging of stationary electric vehicles. However, it remains a fundamental challenge to create a wireless power transfer system in which the transfer efficiency is robust against the variation of operating conditions. Here we propose theoretically and demonstrate experimentally that a parity-time-symmetric circuit incorporating a nonlinear gain saturation element provides robust wireless power transfer. Our results show that the transfer efficiency remains near unity over a distance variation of approximately one metre, without the need for any tuning. This is in contrast with conventional methods where high transfer efficiency can only be maintained by constantly tuning the frequency or the internal coupling parameters as the transfer distance or the relative orientation of the source and receiver units is varied. The use of a nonlinear parity-time-symmetric circuit should enable robust wireless power transfer to moving devices or vehicles.

Robust wireless power transfer using a nonlinear parity-time-symmetric circuit

NASA Astrophysics Data System (ADS)

Assawaworrarit, Sid; Yu, Xiaofang; Fan, Shanhui

2017-06-01

Considerable progress in wireless power transfer has been made in the realm of non-radiative transfer, which employs magnetic-field coupling in the near field. A combination of circuit resonance and impedance transformation is often used to help to achieve efficient transfer of power over a predetermined distance of about the size of the resonators. The development of non-radiative wireless power transfer has paved the way towards real-world applications such as wireless powering of implantable medical devices and wireless charging of stationary electric vehicles. However, it remains a fundamental challenge to create a wireless power transfer system in which the transfer efficiency is robust against the variation of operating conditions. Here we propose theoretically and demonstrate experimentally that a parity-time-symmetric circuit incorporating a nonlinear gain saturation element provides robust wireless power transfer. Our results show that the transfer efficiency remains near unity over a distance variation of approximately one metre, without the need for any tuning. This is in contrast with conventional methods where high transfer efficiency can only be maintained by constantly tuning the frequency or the internal coupling parameters as the transfer distance or the relative orientation of the source and receiver units is varied. The use of a nonlinear parity-time-symmetric circuit should enable robust wireless power transfer to moving devices or vehicles.

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

Beltrán, J.J., E-mail: jjbj08@gmail.com; Grupo de Estado Sólido, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia, UdeA, Calle 70 No 52-21, Medellín; Barrero, C.A.

We have carefully investigated the structural, optical and electronic properties and related them with changes in the magnetism of sol-gel synthesized Zn{sub 1−x}Co{sub x}O (0≤x≤0.10) nanoparticles. Samples with x≤0.05 were free of spurious phases. Samples with x≤0.03 were found to be with only high spin Co{sup 2+} ions into ZnO structure, whereas sample with x=0.05, exhibited the presence of high spin Co{sup 2+} and low spin Co{sup 3+}. We found that the intensity of the main EPR peak associated with Co{sup 2+} varies with the nominal Co content in a similar manner as the saturation magnetization and coercive field do.more » These results point out that the ferromagnetism in these samples should directly be correlated with the presence of divalent cobalt ions. Bound magnetic polaron (BMP) model and the charge transfer model are insufficient to explain the ferromagnetic properties of Zn{sub 1−x}Co{sub x}O nanoparticles. The room temperature ferromagnetism (RTFM) may be originated from a combination of several factors such as the interaction of high spin Co{sup 2+} ions, perturbation/alteration and/or changes in the electronic structure of ZnO close to the valence band edge and grain boundary effects. - Graphical abstract: The intensity of the main EPR peak associated with Co{sup 2+} varies with the nominal Co content in a similar manner as the saturation magnetization and coercive field do. These results point out that the ferromagnetism in these samples should directly be correlated with the presence of Co{sup 2+} ions. Display Omitted - Highlights: • Systematic and carefully study of physical-chemical properties of Zn{sub 1−x}Co{sub x}O nanoparticles. • Samples with x=0.01 and 0.03 were found to be with only high spin Co{sup 2+}. • Sample with x=0.05, exhibited the presence of high spin Co{sup 2+} and low spin Co{sup 3+}. • The BMP and charge transfer models seem not explain the ferromagnetic properties. • RTFM: high spin Co{sup 2+} ions, defects close to the valence band and grain boundary effects.« less

Design and Operation of a Cryogenic Nitrogen Pulsating Heat Pipe

NASA Astrophysics Data System (ADS)

Diego Fonseca, Luis; Miller, Franklin; Pfotenhauer, John

2015-12-01

We report the design, experimental setup and successful test results using an innovative passive cooling system called a “Pulsating Heat Pipe” (PHP) operating at temperatures ranging from 77 K to 80 K and using nitrogen as the working fluid. PHPs, which transfer heat by two phase flow mechanisms through a closed loop tubing have the advantage that no electrical pumps are needed to drive the fluid flow. In addition, PHPs have an advantage over copper straps and thermal conductors since they are lighter in weight, exhibit lower temperature gradients and have higher heat transfer rates. PHPs consist of an evaporator section, thermally anchored to a solid, where heat is received at the saturation temperature where the liquid portion of the two-phase flow evaporates, and a condenser where heat is rejected at the saturation temperature where the vapor is condensed. The condenser section in our experiment has been thermally interfaced to a CT cryocooler from SunPower that has a cooling capacity of 10 W at 77 K. Alternating regions of liquid slugs and small vapor plugs fill the capillary tubing, with the vapor regions contracting in the condenser section and expanding in the evaporator section due to an electric heater that will generate heat loads up to 10 W. This volumetric expansion and contraction provides the oscillatory flow of the fluid throughout the capillary tubing thereby transferring heat from one end to the other. The thermal performance and temperature characteristics of the PHP will be correlated as a function of average condenser temperature, PHP fill liquid ratio, and evaporator heat load. The experimental data show that the heat transfer between the evaporator and condenser sections can produce an effective thermal conductivity up to 35000 W/m-K at a 3.5 W heat load.

Air-water oxygen exchange in a large whitewater river

USGS Publications Warehouse

Hall, Robert O.; Kennedy, Theodore A.; Rosi-Marshall, Emma J.

2012-01-01

Air-water gas exchange governs fluxes of gas into and out of aquatic ecosystems. Knowing this flux is necessary to calculate gas budgets (i.e., O2) to estimate whole-ecosystem metabolism and basin-scale carbon budgets. Empirical data on rates of gas exchange for streams, estuaries, and oceans are readily available. However, there are few data from large rivers and no data from whitewater rapids. We measured gas transfer velocity in the Colorado River, Grand Canyon, as decline in O2 saturation deficit, 7 times in a 28-km segment spanning 7 rapids. The O2 saturation deficit exists because of hypolimnetic discharge from Glen Canyon Dam, located 25 km upriver from Lees Ferry. Gas transfer velocity (k600) increased with slope of the immediate reach. k600 was -1 in flat reaches, while k600 for the steepest rapid ranged 3600-7700 cm h-1, an extremely high value of k600. Using the rate of gas exchange per unit length of water surface elevation (Kdrop, m-1), segment-integrated k600 varied between 74 and 101 cm h-1. Using Kdrop we scaled k600 to the remainder of the Colorado River in Grand Canyon. At the scale corresponding to the segment length where 80% of the O2 exchanged with the atmosphere (mean length = 26.1 km), k600 varied 4.5-fold between 56 and 272 cm h-1 with a mean of 113 cm h-1. Gas transfer velocity for the Colorado River was higher than those from other aquatic ecosystems because of large rapids. Our approach of scaling k600 based on Kdrop allows comparing gas transfer velocity across rivers with spatially heterogeneous morphology.

Chemical exchange saturation transfer (CEST) MR technique for in-vivo liver imaging at 3.0 tesla.

PubMed

Chen, Shu-Zhong; Yuan, Jing; Deng, Min; Wei, Juan; Zhou, Jinyuan; Wáng, Yì-Xiáng J

2016-06-01

To evaluate Chemical Exchange Saturation Transfer (CEST) MRI for liver imaging at 3.0-T. Images were acquired at offsets (n = 41, increment = 0.25 ppm) from -5 to 5 ppm using a TSE sequence with a continuous rectangular saturation pulse. Amide proton transfer-weighted (APTw) and GlycoCEST signals were quantified as the asymmetric magnetization transfer ratio (MTRasym) at 3.5 ppm and the total MTRasym integrated from 0.5 to 1.5 ppm, respectively, from the corrected Z-spectrum. Reproducibility was assessed for rats and humans. Eight rats were devoid of chow for 24 hours and scanned before and after fasting. Eleven rats were scanned before and after one-time CCl4 intoxication. For reproducibility, rat liver APTw and GlycoCEST measurements had 95 % limits of agreement of -1.49 % to 1.28 % and -0.317 % to 0.345 %. Human liver APTw and GlycoCEST measurements had 95 % limits of agreement of -0.842 % to 0.899 % and -0.344 % to 0.164 %. After 24 hours, fasting rat liver APTw and GlycoCEST signals decreased from 2.38 ± 0.86 % to 0.67 ± 1.12 % and from 0.34 ± 0.26 % to -0.18 ± 0.37 % respectively (p < 0.05). After CCl4 intoxication rat liver APTw and GlycoCEST signals decreased from 2.46 ± 0.48 % to 1.10 ± 0.77 %, and from 0.34 ± 0.23 % to -0.16 ± 0.51 % respectively (p < 0.05). CEST liver imaging at 3.0-T showed high sensitivity for fasting as well as CCl4 intoxication. • CEST MRI of in-vivo liver was demonstrated at clinical 3 T field strength. • After 24-hour fasting, rat liver APTw and GlycoCEST signals decreased significantly. • After CCl4 intoxication both rat liver APTw and GlycoCEST signals decreased significantly. • Good scan-rescan reproducibility of liver CEST MRI was shown in healthy volunteers.

Fluoride enrichment in groundwater of semi-arid urban area: Khan Younis City, southern Gaza Strip (Palestine)

NASA Astrophysics Data System (ADS)

Abu Jabal, Mohamed Shaban; Abustan, Ismail; Rozaimy, Mohd Remy; Al-Najar, Hussam

2014-12-01

The aim of this study is to determine fluoride enhancement in the groundwater of semi-arid urban area of Khan Younis City, southern Gaza Strip. Physicochemical data for a total of 200 groundwater samples were analyzed. The fluoride concentrations were varied from 0.3 to 6.45 mg/L with average value of 2.87 mg/L. Correlations between fluorides with other measured ions were relatively observed, negative correlation with calcium and the positive correlation with pH, bicarbonate and sodium increase the dissolution/solubility of fluoride bearing minerals, leading to fluoride leaching into the groundwater. Fluoride enrichment in the groundwater of the area is due to water hydrochemistry, mineral-water interaction (mainly calcite and fluorite), fluorite resulted from fluorapatite dissolution. The saturation indexes evaluation indicated that 42% of the samples are over saturated with respect to calcite and 35.5% under saturated with respect to fluorite, while 40.5% approached equilibrium with respect to both calcite and fluorite. At fluoride concentrations of less than 2.2 mg/L fluorite saturation indexes show under-saturation condition for fluorite and at higher fluoride concentrations show near saturation condition.

Advantages of paramagnetic chemical exchange saturation transfer (CEST) complexes having slow to intermediate water exchange properties as responsive MRI agents.

PubMed

Soesbe, Todd C; Wu, Yunkou; Dean Sherry, A

2013-07-01

Paramagnetic chemical exchange saturation transfer (PARACEST) complexes are exogenous contrast agents that have great potential to further extend the functional and molecular imaging capabilities of magnetic resonance. As a result of the presence of a central paramagnetic lanthanide ion (Ln(3+) ≠ La(3+) , Gd(3+) , Lu(3+) ) within the chelate, the resonance frequencies of exchangeable protons bound to the PARACEST agent are shifted far away from the bulk water frequency. This large chemical shift, combined with an extreme sensitivity to the chemical exchange rate, make PARACEST agents ideally suited for the reporting of significant biological metrics, such as temperature, pH and the presence of metabolites. In addition, the ability to turn PARACEST agents 'off' and 'on' using a frequency-selective saturation pulse gives them a distinct advantage over Gd(3+) -based contrast agents. A current challenge for PARACEST research is the translation of the promising in vitro results into in vivo systems. This short review article first describes the basic theory behind PARACEST contrast agents, their benefits over other contrast agents and their applications to MRI. It then describes some of the recent PARACEST research results: specifically, pH measurements using water molecule exchange rate modulation, T2 exchange contrast caused by water molecule exchange, the use of ultrashort TEs (TE < 10 µs) to overcome T2 exchange line broadening and the potential application of T2 exchange as a new contrast mechanism for MRI. Copyright © 2012 John Wiley & Sons, Ltd.

Simplified correction of B1 inhomogeneity for chemical exchange saturation transfer (CEST) MRI measurement with surface transceiver coil

NASA Astrophysics Data System (ADS)

Sun, Phillip Z.; Zhou, Iris Y.; Igarashi, Takahiro; Guo, Yingkun; Xiao, Gang; Wu, Renhua

2015-03-01

Chemical exchange saturation transfer (CEST) MRI is sensitive to dilute exchangeable protons and local properties such as pH and temperate, yet its susceptibility to field inhomogeneity limits its in vivo applications. Particularly, CEST measurement varies with RF irradiation power, the dependence of which is complex due to concomitant direct RF saturation (RF spillover) effect. Because the volume transmitters provide relatively homogeneous RF field, they have been conventionally used for CEST imaging despite of their elevated specific absorption rate (SAR) and relatively low sensitivity than surface coils. To address this limitation, we developed an efficient B1 inhomogeneity correction algorithm that enables CEST MRI using surface transceiver coils. This is built on recent work that showed the inverse CEST asymmetry analysis (CESTRind) is not susceptible to confounding RF spillover effect. We here postulated that the linear relationship between RF power level and CESTRind can be extended for correcting B1 inhomogeneity induced CEST MRI artifacts. Briefly, we prepared a tissue-like Creatine gel pH phantom and collected multiparametric MRI including relaxation, field map and CEST MRI under multiple RF power levels, using a conventional surface transceiver coil. The raw CEST images showed substantial heterogeneity due to B1 inhomogeneity, with pH contrast to noise ratio (CNR) being 8.8. In comparison, pH MRI CNR of the fieldinhomogeneity corrected CEST MRI was found to be 17.2, substantially higher than that without correction. To summarize, our study validated an efficient field inhomogeneity correction that enables sensitive CEST MRI with surface transceiver, promising for in vivo translation.

Double agents and secret agents: the emerging fields of exogenous chemical exchange saturation transfer and T2-exchange magnetic resonance imaging contrast agents for molecular imaging.

PubMed

Daryaei, Iman; Pagel, Mark D

2015-01-01

Two relatively new types of exogenous magnetic resonance imaging contrast agents may provide greater impact for molecular imaging by providing greater specificity for detecting molecular imaging biomarkers. Exogenous chemical exchange saturation transfer (CEST) agents rely on the selective saturation of the magnetization of a proton on an agent, followed by chemical exchange of a proton from the agent to water. The selective detection of a biomarker-responsive CEST signal and an unresponsive CEST signal, followed by the ratiometric comparison of these signals, can improve biomarker specificity. We refer to this improvement as a "double-agent" approach to molecular imaging. Exogenous T 2 -exchange agents also rely on chemical exchange of protons between the agent and water, especially with an intermediate rate that lies between the slow exchange rates of CEST agents and the fast exchange rates of traditional T 1 and T 2 agents. Because of this intermediate exchange rate, these agents have been relatively unknown and have acted as "secret agents" in the contrast agent research field. This review exposes these secret agents and describes the merits of double agents through examples of exogenous agents that detect enzyme activity, nucleic acids and gene expression, metabolites, ions, redox state, temperature, and pH. Future directions are also provided for improving both types of contrast agents for improved molecular imaging and clinical translation. Therefore, this review provides an overview of two new types of exogenous contrast agents that are becoming useful tools within the armamentarium of molecular imaging.

Double agents and secret agents: the emerging fields of exogenous chemical exchange saturation transfer and T2-exchange magnetic resonance imaging contrast agents for molecular imaging

PubMed Central

Daryaei, Iman; Pagel, Mark D

2016-01-01

Two relatively new types of exogenous magnetic resonance imaging contrast agents may provide greater impact for molecular imaging by providing greater specificity for detecting molecular imaging biomarkers. Exogenous chemical exchange saturation transfer (CEST) agents rely on the selective saturation of the magnetization of a proton on an agent, followed by chemical exchange of a proton from the agent to water. The selective detection of a biomarker-responsive CEST signal and an unresponsive CEST signal, followed by the ratiometric comparison of these signals, can improve biomarker specificity. We refer to this improvement as a “double-agent” approach to molecular imaging. Exogenous T2-exchange agents also rely on chemical exchange of protons between the agent and water, especially with an intermediate rate that lies between the slow exchange rates of CEST agents and the fast exchange rates of traditional T1 and T2 agents. Because of this intermediate exchange rate, these agents have been relatively unknown and have acted as “secret agents” in the contrast agent research field. This review exposes these secret agents and describes the merits of double agents through examples of exogenous agents that detect enzyme activity, nucleic acids and gene expression, metabolites, ions, redox state, temperature, and pH. Future directions are also provided for improving both types of contrast agents for improved molecular imaging and clinical translation. Therefore, this review provides an overview of two new types of exogenous contrast agents that are becoming useful tools within the armamentarium of molecular imaging. PMID:27747191

The criterion of subscale sufficiency and its application to the relationship between static capillary pressure, saturation and interfacial areas

PubMed Central

2016-01-01

Modern imaging techniques, increased simulation capabilities and extended theoretical frameworks, naturally drive the development of multiscale modelling by the question: which new information should be considered? Given the need for concise constitutive relationships and efficient data evaluation; however, one important question is often neglected: which information is sufficient? For this reason, this work introduces the formalized criterion of subscale sufficiency. This criterion states whether a chosen constitutive relationship transfers all necessary information from micro to macroscale within a multiscale framework. It further provides a scheme to improve constitutive relationships. Direct application to static capillary pressure demonstrates usefulness and conditions for subscale sufficiency of saturation and interfacial areas. PMID:27279769

Ocean Acidification-Induced Food Quality Deterioration Constrains Trophic Transfer

PubMed Central

Hauss, Helena; Schulz, Kai G.; Riebesell, Ulf; Sommer, Ulrich; Winder, Monika

2012-01-01

Our present understanding of ocean acidification (OA) impacts on marine organisms caused by rapidly rising atmospheric carbon dioxide (CO2) concentration is almost entirely limited to single species responses. OA consequences for food web interactions are, however, still unknown. Indirect OA effects can be expected for consumers by changing the nutritional quality of their prey. We used a laboratory experiment to test potential OA effects on algal fatty acid (FA) composition and resulting copepod growth. We show that elevated CO2 significantly changed the FA concentration and composition of the diatom Thalassiosira pseudonana, which constrained growth and reproduction of the copepod Acartia tonsa. A significant decline in both total FAs (28.1 to 17.4 fg cell−1) and the ratio of long-chain polyunsaturated to saturated fatty acids (PUFA:SFA) of food algae cultured under elevated (750 µatm) compared to present day (380 µatm) pCO2 was directly translated to copepods. The proportion of total essential FAs declined almost tenfold in copepods and the contribution of saturated fatty acids (SFAs) tripled at high CO2. This rapid and reversible CO2-dependent shift in FA concentration and composition caused a decrease in both copepod somatic growth and egg production from 34 to 5 eggs female−1 day−1. Because the diatom-copepod link supports some of the most productive ecosystems in the world, our study demonstrates that OA can have far-reaching consequences for ocean food webs by changing the nutritional quality of essential macromolecules in primary producers that cascade up the food web. PMID:22509351

Ocean acidification-induced food quality deterioration constrains trophic transfer.

PubMed

Rossoll, Dennis; Bermúdez, Rafael; Hauss, Helena; Schulz, Kai G; Riebesell, Ulf; Sommer, Ulrich; Winder, Monika

2012-01-01

Our present understanding of ocean acidification (OA) impacts on marine organisms caused by rapidly rising atmospheric carbon dioxide (CO(2)) concentration is almost entirely limited to single species responses. OA consequences for food web interactions are, however, still unknown. Indirect OA effects can be expected for consumers by changing the nutritional quality of their prey. We used a laboratory experiment to test potential OA effects on algal fatty acid (FA) composition and resulting copepod growth. We show that elevated CO(2) significantly changed the FA concentration and composition of the diatom Thalassiosira pseudonana, which constrained growth and reproduction of the copepod Acartia tonsa. A significant decline in both total FAs (28.1 to 17.4 fg cell(-1)) and the ratio of long-chain polyunsaturated to saturated fatty acids (PUFA:SFA) of food algae cultured under elevated (750 µatm) compared to present day (380 µatm) pCO(2) was directly translated to copepods. The proportion of total essential FAs declined almost tenfold in copepods and the contribution of saturated fatty acids (SFAs) tripled at high CO(2). This rapid and reversible CO(2)-dependent shift in FA concentration and composition caused a decrease in both copepod somatic growth and egg production from 34 to 5 eggs female(-1) day(-1). Because the diatom-copepod link supports some of the most productive ecosystems in the world, our study demonstrates that OA can have far-reaching consequences for ocean food webs by changing the nutritional quality of essential macromolecules in primary producers that cascade up the food web.

Evidence of quasi-partonic higher-twist effects in deep inelastic scattering at HERA at moderate Q^2

NASA Astrophysics Data System (ADS)

Motyka, Leszek; Sadzikowski, Mariusz; Słomiński, Wojciech; Wichmann, Katarzyna

2018-01-01

The combined HERA data for the inclusive deep inelastic scattering (DIS) cross sections for the momentum transfer Q^2 > 1 GeV^2 are fitted within the Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) framework at next-to-leading order (NLO) and next-to-next-to-leading order (NNLO) accuracy, complemented by a QCD-inspired parameterisation of twist 4 corrections. A modified form of the input parton density functions is also included, motivated by parton saturation mechanism at small Bjorken x and at a low scale. These modifications lead to a significant improvement of the data description in the region of low Q^2. For the whole data sample, the new benchmark NNLO DGLAP fit yields χ ^2/d.o.f. ˜eq 1.19 to be compared to 1.46 resulting from the standard NNLO DGLAP fit. We discuss the results in the context of the parton saturation picture and describe the impact of the higher-twist corrections on the derived parton density functions. The resulting description of the longitudinal proton structure function FL is consistent with the HERA data. Our estimates of higher-twist contributions to the proton structure functions are comparable to the leading-twist contributions at low Q^2 ˜eq 2 GeV^2 and x ˜eq 10^{-5}. The x-dependence of the twist 4 corrections obtained from the best fit is consistent with the leading twist 4 quasi-partonic operators, corresponding to an exchange of four interacting gluons in the t-channel.

Line active hybrid lipids determine domain size in phase separation of saturated and unsaturated lipids.

PubMed

Brewster, Robert; Safran, Samuel A

2010-03-17

A simple model of the line activity of a hybrid lipid (e.g., POPC) with one fully saturated chain and one partially unsaturated chain demonstrates that these lipids preferentially pack at curved interfaces between phase-separated saturated and unsaturated domains. We predict that the domain sizes typically range from tens to hundreds of nm, depending on molecular interactions and parameters such as molecular volume and area per headgroup in the bulk fluid phase. The role of cholesterol is taken into account by an effective change in the headgroup areas and the domain sizes are predicted to increase with cholesterol concentration. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Interactive effects of dietary palm oil concentration and water temperature on lipid digestibility in rainbow trout, Oncorhynchus mykiss.

PubMed

Ng, Wing-Keong; Campbell, Patrick J; Dick, James R; Bell, J Gordon

2003-10-01

An experiment was conducted to evaluate the interactive effects of dietary crude palm oil (CPO) concentration and water temperature on lipid and FA digestibility in rainbow trout. Four isolipidic diets with 0, 5, 10, or 20% (w/w) CPO, at the expense of fish oil, were formulated and fed to groups of trout maintained at water temperatures of 7, 10, or 15 degrees C. The apparent digestibility (AD) of the FA, measured using yttrium oxide as an inert marker, decreased with increasing chain length and increased with increasing unsaturation within each temperature regimen irrespective of CPO level fed to the fish. PUFA of the n-3 series were preferentially absorbed compared to n-6 PUFA in all diet and temperature treatments. Except for a few minor FA, a significant (P < 0.05) interaction between diet and temperature effects on FA digestibility was found. Increasing dietary levels of CPO lead to significant reductions in the AD of saturates and, to a lesser extent, also of the other FA. Lowering water temperature reduced total saturated FA digestibility in trout regardless of CPO level. Based on the lipid class composition of trout feces, this reduction in AD of saturates was due in part to the increasing resistance of dietary TAG to digestion. Increasing CPO level and decreasing water temperature significantly increased TAG content in trout fecal lipids, with saturates constituting more than 60% of the FA composition. Total monoene and PUFA digestibilities were not significantly affected by water temperature in fish fed up to 10% CPO in their diet. The potential impact of reduced lipid and FA digestibility in cold-water fish fed diets supplemented with high levels of CPO on fish growth performance requires further research.

Reciprocal Trust Mediates Deep Transfer of Learning between Games of Strategic Interaction

ERIC Educational Resources Information Center

Juvina, Ion; Saleem, Muniba; Martin, Jolie M.; Gonzalez, Cleotilde; Lebiere, Christian

2013-01-01

We studied transfer of learning across two games of strategic interaction. We found that the interpersonal relation between two players during and across two games influence development of reciprocal trust and transfer of learning from one game to another. We show that two types of similarities between the games affect transfer: (1) deep…

Origin of attraction in p-benzoquinone complexes with benzene and p-hydroquinone.

PubMed

Tsuzuki, Seiji; Uchimaru, Tadafumi; Ono, Taizo

2017-08-30

The origin of the attraction in charge-transfer complexes (a p-hydroquinone-p-benzoquinone complex and benzene complexes with benzoquinone, tetracyanoethylene and Br 2 ) was analyzed using distributed multipole analysis and symmetry-adapted perturbation theory. Both methods show that the dispersion interactions are the primary source of the attraction in these charge-transfer complexes followed by the electrostatic interactions. The natures of the intermolecular interactions in these complexes are close to the π/π interactions of neutral aromatic molecules. The electrostatic interactions play important roles in determining the magnitude of the attraction. The contribution of charge-transfer interactions to the attraction is not large compared with the dispersion interactions in these complexes.

Different stabilities of liposomes containing saturated and unsaturated lipids toward the addition of cyclodextrins.

PubMed

Ikeda, Atsushi; Funada, Rikushi; Sugikawa, Kouta

2016-06-14

Liposomes composed of unsaturated lipids were more stable than those containing saturated lipids toward DMe-β-CDx, DMe-α-CDx and DMe-β-CDx. The Hill coefficient values (n) indicated that the saturated lipid·DMe-CDx complexes had stoichiometric ratios in the range of 1 : 3-1 : 4, while the unsaturated lipid·DMe-CDx complexes had ratios in the range of 1 : 1.5-1 : 3. That is, a cis alkene group in the unsaturated lipids prevented complexation with a second DMe-CDx in the direction toward each acyl chain. Furthermore, the liposomes composed of the unsaturated lipids were much slower to form precipitates upon the addition of α-CDx than those of the saturated lipids. To the best of our knowledge, this is the first example showing that CDxs interact with unsaturated lipids.

Saturation of energetic-particle-driven geodesic acoustic modes due to wave-particle nonlinearity

NASA Astrophysics Data System (ADS)

Biancalani, A.; Chavdarovski, I.; Qiu, Z.; Bottino, A.; Del Sarto, D.; Ghizzo, A.; Gürcan, Ö.; Morel, P.; Novikau, I.

2017-12-01

The nonlinear dynamics of energetic-particle (EP) driven geodesic acoustic modes (EGAM) is investigated here. A numerical analysis with the global gyrokinetic particle-in-cell code ORB5 is performed, and the results are interpreted with the analytical theory, in close comparison with the theory of the beam-plasma instability. Only axisymmetric modes are considered, with a nonlinear dynamics determined by wave-particle interaction. Quadratic scalings of the saturated electric field with respect to the linear growth rate are found for the case of interest. As a main result, the formula for the saturation level is provided. Near the saturation, we observe a transition from adiabatic to non-adiabatic dynamics, i.e. the frequency chirping rate becomes comparable to the resonant EP bounce frequency. The numerical analysis is performed here with electrostatic simulations with circular flux surfaces, and kinetic effects of the electrons are neglected.

Noninvasive amide proton transfer magnetic resonance imaging in evaluating the grading and cellularity of gliomas.

PubMed

Bai, Yan; Lin, Yusong; Zhang, Wei; Kong, Lingfei; Wang, Lifu; Zuo, Panli; Vallines, Ignacio; Schmitt, Benjamin; Tian, Jie; Song, Xiaolei; Zhou, Jinyuan; Wang, Meiyun

2017-01-24

Using noninvasive magnetic resonance imaging techniques to accurately evaluate the grading and cellularity of gliomas is beneficial for improving the patient outcomes. Amide proton transfer imaging is a noninvasive molecular magnetic resonance imaging technique based on chemical exchange saturation transfer mechanism that detects endogenous mobile proteins and peptides in biological tissues. Between August 2012 and November 2015, a total number of 44 patients with pathologically proven gliomas were included in this study. We compared the capability of amide proton transfer magnetic resonance imaging with that of noninvasive diffusion-weighted imaging and noninvasive 3-dimensional pseudo-continuous arterial spin imaging in evaluating the grading and cellularity of gliomas. Our results reveal that amide proton transfer magnetic resonance imaging is a superior imaging technique to diffusion-weighted imaging and 3-dimensional pseudo-continuous arterial spin imaging in the grading of gliomas. In addition, our results showed that the Ki-67 index correlated better with the amide proton transfer-weighted signal intensity than with the apparent diffusion coefficient value or the cerebral blood flow value in the gliomas. Amide proton transfer magnetic resonance imaging is a promising method for predicting the grading and cellularity of gliomas.

Inertial Wave Turbulence Driven by Elliptical Instability.

PubMed

Le Reun, Thomas; Favier, Benjamin; Barker, Adrian J; Le Bars, Michael

2017-07-21

The combination of elliptical deformation of streamlines and vorticity can lead to the destabilization of any rotating flow via the elliptical instability. Such a mechanism has been invoked as a possible source of turbulence in planetary cores subject to tidal deformations. The saturation of the elliptical instability has been shown to generate turbulence composed of nonlinearly interacting waves and strong columnar vortices with varying respective amplitudes, depending on the control parameters and geometry. In this Letter, we present a suite of numerical simulations to investigate the saturation and the transition from vortex-dominated to wave-dominated regimes. This is achieved by simulating the growth and saturation of the elliptical instability in an idealized triply periodic domain, adding a frictional damping to the geostrophic component only, to mimic its interaction with boundaries. We reproduce several experimental observations within one idealized local model and complement them by reaching more extreme flow parameters. In particular, a wave-dominated regime that exhibits many signatures of inertial wave turbulence is characterized for the first time. This regime is expected in planetary interiors.

Inertial Wave Turbulence Driven by Elliptical Instability

NASA Astrophysics Data System (ADS)

Le Reun, Thomas; Favier, Benjamin; Barker, Adrian J.; Le Bars, Michael

2017-07-01

The combination of elliptical deformation of streamlines and vorticity can lead to the destabilization of any rotating flow via the elliptical instability. Such a mechanism has been invoked as a possible source of turbulence in planetary cores subject to tidal deformations. The saturation of the elliptical instability has been shown to generate turbulence composed of nonlinearly interacting waves and strong columnar vortices with varying respective amplitudes, depending on the control parameters and geometry. In this Letter, we present a suite of numerical simulations to investigate the saturation and the transition from vortex-dominated to wave-dominated regimes. This is achieved by simulating the growth and saturation of the elliptical instability in an idealized triply periodic domain, adding a frictional damping to the geostrophic component only, to mimic its interaction with boundaries. We reproduce several experimental observations within one idealized local model and complement them by reaching more extreme flow parameters. In particular, a wave-dominated regime that exhibits many signatures of inertial wave turbulence is characterized for the first time. This regime is expected in planetary interiors.

Simple-MSSM: a simple and efficient method for simultaneous multi-site saturation mutagenesis.

PubMed

Cheng, Feng; Xu, Jian-Miao; Xiang, Chao; Liu, Zhi-Qiang; Zhao, Li-Qing; Zheng, Yu-Guo

2017-04-01

To develop a practically simple and robust multi-site saturation mutagenesis (MSSM) method that enables simultaneously recombination of amino acid positions for focused mutant library generation. A general restriction enzyme-free and ligase-free MSSM method (Simple-MSSM) based on prolonged overlap extension PCR (POE-PCR) and Simple Cloning techniques. As a proof of principle of Simple-MSSM, the gene of eGFP (enhanced green fluorescent protein) was used as a template gene for simultaneous mutagenesis of five codons. Forty-eight randomly selected clones were sequenced. Sequencing revealed that all the 48 clones showed at least one mutant codon (mutation efficiency = 100%), and 46 out of the 48 clones had mutations at all the five codons. The obtained diversities at these five codons are 27, 24, 26, 26 and 22, respectively, which correspond to 84, 75, 81, 81, 69% of the theoretical diversity offered by NNK-degeneration (32 codons; NNK, K = T or G). The enzyme-free Simple-MSSM method can simultaneously and efficiently saturate five codons within one day, and therefore avoid missing interactions between residues in interacting amino acid networks.

Aircraft Oxygen Generation

DTIC Science & Technology

2012-02-01

a slight increase in oxygen consumption during exercise, without a decrement in capillary hemoglobin oxygen saturation compared to exercise on 85...must be provided.  HSI education and training for program managers and acquisition professionals are required.  Meaningful, quantifiable...positions were transferred to the 711th HPW at WPAFB. Only two of the analysts moved to WPAFB, creating a major shortfall in HSI education , training, and

Optimization of Nanowire-Resistance Load Logic Inverter.

PubMed

Hashim, Yasir; Sidek, Othman

2015-09-01

This study is the first to demonstrate characteristics optimization of nanowire resistance load inverter. Noise margins and inflection voltage of transfer characteristics are used as limiting factors in this optimization. Results indicate that optimization depends on resistance value. Increasing of load resistor tends to increasing in noise margins until saturation point, increasing load resistor after this point will not improve noise margins significantly.

Dynamic aspects of antibody:oligosaccharide complexes characterized by molecular dynamics simulations and saturation transfer difference nuclear magnetic resonance.

PubMed

Theillet, François-Xavier; Frank, Martin; Vulliez-Le Normand, Brigitte; Simenel, Catherine; Hoos, Sylviane; Chaffotte, Alain; Bélot, Frédéric; Guerreiro, Catherine; Nato, Farida; Phalipon, Armelle; Mulard, Laurence A; Delepierre, Muriel

2011-12-01

Carbohydrates are likely to maintain significant conformational flexibility in antibody (Ab):carbohydrate complexes. As demonstrated herein for the protective monoclonal Ab (mAb) F22-4 recognizing the Shigella flexneri 2a O-antigen (O-Ag) and numerous synthetic oligosaccharide fragments thereof, the combination of molecular dynamics simulations and nuclear magnetic resonance saturation transfer difference experiments, supported by physicochemical analysis, allows us to determine the binding epitope and its various contributions to affinity without using any modified oligosaccharides. Moreover, the methods used provide insights into ligand flexibility in the complex, thus enabling a better understanding of the Ab affinities observed for a representative set of synthetic O-Ag fragments. Additionally, these complementary pieces of information give evidence to the ability of the studied mAb to recognize internal as well as terminal epitopes of its cognate polysaccharide antigen. Hence, we show that an appropriate combination of computational and experimental methods provides a basis to explore carbohydrate functional mimicry and receptor binding. The strategy may facilitate the design of either ligands or carbohydrate recognition domains, according to needed improvements of the natural carbohydrate:receptor properties. © The Author 2011. Published by Oxford University Press. All rights reserved.

Pulsed magnetization transfer contrast MRI by a sequence with water selective excitation

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

Schick, F.

1996-01-01

A water selective SE imaging sequence was developed providing suitable properties for the assessment of magnetization transfer (MT) effects in tissues with considerable amounts of fat. The sequence with water selective excitation and slice selective refocusing combines the following features: The RIF exposure on the macromolecular protons is relatively low for single slice imaging without MT prepulses, since no additional pulses for fat saturation are necessary. Water selection by frequency selective excitation diminishes faults in the subtraction of images recorded with and without MT prepulses (which might arise from movements). High differences in the signal amplitudes from hyaline cartilage andmore » muscle tissue were obtained comparing images recorded with irradiation of the series of prepulses for MT and those lacking MT prepulses. Utilizations of the described water selective approach for the assessment of MT effects in lesions of cartilage and bone are demonstrated. MT saturation was also examined in muscles with fatty degeneration of patients suffering from progressive muscular dystrophy. The described technique allows determination of MT effects with good precision in a single slice, especially in regions with dominating fat signals. 22 refs., 5 figs.« less

Natural convection in square cavity filled with ferrofluid saturated porous medium in the presence of uniform magnetic field

NASA Astrophysics Data System (ADS)

Javed, Tariq; Mehmood, Z.; Abbas, Z.

2017-02-01

This article contains numerical results for free convection through square enclosure enclosing ferrofluid saturated porous medium when uniform magnetic field is applied upon the flow along x-axis. Heat is provided through bottom wall and a square blockage placed near left or right bottom corner of enclosure as a heat source. Left and right vertical boundaries of the cavity are considered insulated while upper wall is taken cold. The problem is modelled in terms of system of nonlinear partial differential equations. Finite element method has been adopted to compute numerical simulations of mathematical problem for wide range of pertinent flow parameters including Rayleigh number, Hartman number, Darcy number and Prandtl number. Analysis of results reveals that the strength of streamline circulation is an increasing function of Darcy and Prandtl number where convection heat transfer is dominant for large values of these parameters whereas increase in Hartman number has opposite effects on isotherms and streamline circulations. Thermal conductivity and hence local heat transfer rate of fluid gets increased when ferroparticles are introduced in the fluid. Average Nusselt number increases with increase in Darcy and Rayleigh numbers while it is decreases when Hartman number is increased.

Numerical simulation of cryogenic cavitating flow by an extended transport-based cavitation model with thermal effects

NASA Astrophysics Data System (ADS)

Zhang, Shaofeng; Li, Xiaojun; Zhu, Zuchao

2018-06-01

Thermodynamic effects on cryogenic cavitating flow is important to the accuracy of numerical simulations mainly because cryogenic fluids are thermo-sensitive, and the vapour saturation pressure is strongly dependent on the local temperature. The present study analyses the thermal cavitating flows in liquid nitrogen around a 2D hydrofoil. Thermal effects were considered using the RNG k-ε turbulence model with a modified turbulent eddy viscosity and the mass transfer homogenous cavitation model coupled with energy equation. In the cavitation model process, the saturated vapour pressure is modified based on the Clausius-Clapron equation. The convection heat transfer approach is also considered to extend the Zwart-Gerber-Belamri model. The predicted pressure and temperature inside the cavity under cryogenic conditions show that the modified Zwart-Gerber-Belamri model is in agreement with the experimental data of Hord et al. in NASA, especially in the thermal field. The thermal effect significantly affects the cavitation dynamics during phase-change process, which could delay or suppress the occurrence and development of cavitation behaviour. Based on the modified Zwart-Gerber-Belamri model proposed in this paper, better prediction of the cryogenic cavitation is attainable.

Remediation of saturated soil contaminated with petroleum products using air sparging with thermal enhancement.

PubMed

Mohamed, A M I; El-menshawy, Nabil; Saif, Amany M

2007-05-01

Pollutants in the form of non-aqueous phase liquids (NAPLs), such as petroleum products, pose a serious threat to the soil and groundwater. A mathematical model was derived to study the unsteady pollutant concentrations through water saturated contaminated soil under air sparging conditions for different NAPLs and soil properties. The comparison between the numerical model results and the published experimental results showed acceptable agreement. Furthermore, an experimental study was conducted to remove NAPLs from the contaminated soil using the sparging air technique, considering the sparging air velocity, air temperature, soil grain size and different contaminant properties. This study showed that sparging air at ambient temperature through the contaminated soil can remove NAPLs, however, employing hot air sparging can provide higher contaminant removal efficiency, by about 9%. An empirical correlation for the volatilization mass transfer coefficient was developed from the experimental results. The dimensionless numbers used were Sherwood number (Sh), Peclet number (Pe), Schmidt number (Sc) and several physical-chemical properties of VOCs and porous media. Finally, the estimated volatilization mass transfer coefficient was used for calculation of the influence of heated sparging air on the spreading of the NAPL plume through the contaminated soil.

Investigation of Chemical Exchange at Intermediate Exchange Rates using a Combination of Chemical Exchange Saturation Transfer (CEST) and Spin-Locking methods (CESTrho)

PubMed Central

Kogan, Feliks; Singh, Anup; Cai, Keija; Haris, Mohammad; Hariharan, Hari; Reddy, Ravinder

2011-01-01

Proton exchange imaging is important as it allows for visualization and quantification of the distribution of specific metabolites with conventional MRI. Current exchange mediated MRI methods suffer from poor contrast as well as confounding factors that influence exchange rates. In this study we developed a new method to measure proton exchange which combines chemical exchange saturation transfer (CEST) and T1ρ magnetization preparation methods (CESTrho). We demonstrated that this new CESTrho sequence can detect proton exchange in the slow to intermediate exchange regimes. It has a linear dependence on proton concentration which allows it to be used to quantitatively measure changes in metabolite concentration. Additionally, the magnetization scheme of this new method can be customized to make it insensitive to changes in exchange rate while retaining its dependency on solute concentration. Finally, we showed the feasibility of using CESTrho in vivo. This sequence is able to detect proton exchange at intermediate exchange rates and is unaffected by the confounding factors that influence proton exchange rates thus making it ideal for the measurement of metabolites with exchangeable protons in this exchange regime. PMID:22009759

Transient boiling heat transfer in saturated liquid nitrogen and F113 at standard and zero gravity

NASA Technical Reports Server (NTRS)

Oker, E.; Merte, H., Jr.

1973-01-01

Transient and steady state nucleate boiling in saturated LN2 and F113 at standard and near zero gravity conditions were investigated for the horizontal up, vertical and horizontal down orientations of the heating surface. Two distinct regimes of heat transfer mechanisms were observed during the interval from the step increase of power input to the onset of nucleate boiling: the conduction and convection dominated regimes. The time duration in each regime was considerably shorter with LN2 than with F113, and decreased as heat flux increased, as gravity was reduced, and as the orientation was changed from horizontal up to horizontal down. In transient boiling, boiling initiates at a single point following the step increase in power, and then spreads over the surface. The delay time for the inception of boiling at the first site, and the velocity of spread of boiling varies depending upon the heat flux, orientation, body force, surface roughness and liquid properties, and are a consequence of changes in boundary layer temperature levels associated with changes in natural convection. Following the step increase in power input, surface temperature overshoot and undershoot occur before the steady state boiling temperature level is established.

Investigation of chemical exchange at intermediate exchange rates using a combination of chemical exchange saturation transfer (CEST) and spin-locking methods (CESTrho).

PubMed

Kogan, Feliks; Singh, Anup; Cai, Keija; Haris, Mohammad; Hariharan, Hari; Reddy, Ravinder

2012-07-01

Proton exchange imaging is important as it allows for visualization and quantification of the distribution of specific metabolites with conventional MRI. Current exchange mediated MRI methods suffer from poor contrast as well as confounding factors that influence exchange rates. In this study we developed a new method to measure proton exchange which combines chemical exchange saturation transfer and T(1)(ρ) magnetization preparation methods (CESTrho). We demonstrated that this new CESTrho sequence can detect proton exchange in the slow to intermediate exchange regimes. It has a linear dependence on proton concentration which allows it to be used to quantitatively measure changes in metabolite concentration. Additionally, the magnetization scheme of this new method can be customized to make it insensitive to changes in exchange rate while retaining its dependency on solute concentration. Finally, we showed the feasibility of using CESTrho in vivo. This sequence is able to detect proton exchange at intermediate exchange rates and is unaffected by the confounding factors that influence proton exchange rates thus making it ideal for the measurement of metabolites with exchangeable protons in this exchange regime. Copyright © 2011 Wiley Periodicals, Inc.

Mechanisms for the activation of Toll-like receptor 2/4 by saturated fatty acids and inhibition by docosahexaenoic acid.

PubMed

Hwang, Daniel H; Kim, Jeong-A; Lee, Joo Young

2016-08-15

Saturated fatty acids can activate Toll-like receptor 2 (TLR2) and TLR4 but polyunsaturated fatty acids, particularly docosahexaenoic acid (DHA) inhibit the activation. Lipopolysaccharides (LPS) and lipopetides, ligands for TLR4 and TLR2, respectively, are acylated by saturated fatty acids. Removal of these fatty acids results in loss of their ligand activity suggesting that the saturated fatty acyl moieties are required for the receptor activation. X-ray crystallographic studies revealed that these saturated fatty acyl groups of the ligands directly occupy hydrophobic lipid binding domains of the receptors (or co-receptor) and induce the dimerization which is prerequisite for the receptor activation. Saturated fatty acids also induce the dimerization and translocation of TLR4 and TLR2 into lipid rafts in plasma membrane and this process is inhibited by DHA. Whether saturated fatty acids induce the dimerization of the receptors by interacting with these lipid binding domains is not known. Many experimental results suggest that saturated fatty acids promote the formation of lipid rafts and recruitment of TLRs into lipid rafts leading to ligand independent dimerization of the receptors. Such a mode of ligand independent receptor activation defies the conventional concept of ligand induced receptor activation; however, this may enable diverse non-microbial molecules with endogenous and dietary origins to modulate TLR-mediated immune responses. Emerging experimental evidence reveals that TLRs play a key role in bridging diet-induced endocrine and metabolic changes to immune responses. Published by Elsevier B.V.

Quasi-four-body treatment of charge transfer in the collision of protons with atomic helium: I. Thomas related mechanisms

NASA Astrophysics Data System (ADS)

Safarzade, Zohre; Fathi, Reza; Shojaei Akbarabadi, Farideh; Bolorizadeh, Mohammad A.

2018-04-01

The scattering of a completely bare ion by atoms larger than hydrogen is at least a four-body interaction, and the charge transfer channel involves a two-step process. Amongst the two-step interactions of the high-velocity single charge transfer in an anion-atom collision, there is one whose amplitude demonstrates a peak in the angular distribution of the cross sections. This peak, the so-called Thomas peak, was predicted by Thomas in a two-step interaction, classically, which could also be described through three-body quantum mechanical models. This work discusses a four-body quantum treatment of the charge transfer in ion-atom collisions, where two-step interactions illustrating a Thomas peak are emphasized. In addition, the Pauli exclusion principle is taken into account for the initial and final states as well as the operators. It will be demonstrated that there is a momentum condition for each two-step interaction to occur in a single charge transfer channel, where new classical interactions lead to the Thomas mechanism.

A Nuanced Look at Women in STEM Fields at Two-Year Colleges: Factors That Shape Female Students' Transfer Intent.

PubMed

Wang, Xueli; Chan, Hsun-Yu; Soffa, Sara Jimenez; Nachman, Brett Ranon

2017-01-01

In this study, we explored the relationship between the intent to transfer upward and a set of motivational, contextual, and socio-demographic background factors among 696 female students beginning in science, technology, engineering, and mathematics (STEM) programs or courses at two-year colleges in a Midwestern state. Drawing upon survey data and administrative records, our multinomial logistic regression analysis revealed that students' math and science self-efficacy beliefs, as well as transfer-oriented interaction, were significant and positive predictors for their intent to transfer into STEM fields as opposed to having no intent to transfer. In addition, the association between transfer intent and these key motivational and contextual factors was moderated by students' racial/ethnic backgrounds, marital status, and childcare obligations. For example, despite the positive relationship between transfer-oriented interaction and the intention to transfer into STEM fields, Black women were less likely to have intent to transfer into STEM fields than White students until Black students reported a moderate level of transfer-oriented interaction. Conversely, Hispanic students were more likely to report intent to transfer into STEM fields than their White peers, even when Hispanic students reported a relatively low level of engagement in transfer-oriented interaction. These and other reported findings bear important and nuanced implications as policymakers, educators, and researchers continue to discover ways to better support women's educational pathways and success in STEM fields at and through two-year colleges.

A Nuanced Look at Women in STEM Fields at Two-Year Colleges: Factors That Shape Female Students' Transfer Intent

PubMed Central

Wang, Xueli; Chan, Hsun-yu; Soffa, Sara Jimenez; Nachman, Brett Ranon

2017-01-01

In this study, we explored the relationship between the intent to transfer upward and a set of motivational, contextual, and socio-demographic background factors among 696 female students beginning in science, technology, engineering, and mathematics (STEM) programs or courses at two-year colleges in a Midwestern state. Drawing upon survey data and administrative records, our multinomial logistic regression analysis revealed that students' math and science self-efficacy beliefs, as well as transfer-oriented interaction, were significant and positive predictors for their intent to transfer into STEM fields as opposed to having no intent to transfer. In addition, the association between transfer intent and these key motivational and contextual factors was moderated by students' racial/ethnic backgrounds, marital status, and childcare obligations. For example, despite the positive relationship between transfer-oriented interaction and the intention to transfer into STEM fields, Black women were less likely to have intent to transfer into STEM fields than White students until Black students reported a moderate level of transfer-oriented interaction. Conversely, Hispanic students were more likely to report intent to transfer into STEM fields than their White peers, even when Hispanic students reported a relatively low level of engagement in transfer-oriented interaction. These and other reported findings bear important and nuanced implications as policymakers, educators, and researchers continue to discover ways to better support women's educational pathways and success in STEM fields at and through two-year colleges. PMID:28220102

Nuclear spin-lattice relaxation in nitroxide spin-label EPR.

PubMed

Marsh, Derek

2016-11-01

Nuclear relaxation is a sensitive monitor of rotational dynamics in spin-label EPR. It also contributes competing saturation transfer pathways in T 1 -exchange spectroscopy, and the determination of paramagnetic relaxation enhancement in site-directed spin labelling. A survey shows that the definition of nitrogen nuclear relaxation rate W n commonly used in the CW-EPR literature for 14 N-nitroxyl spin labels is inconsistent with that currently adopted in time-resolved EPR measurements of saturation recovery. Redefinition of the normalised 14 N spin-lattice relaxation rate, b=W n /(2W e ), preserves the expressions used for CW-EPR, whilst rendering them consistent with expressions for saturation recovery rates in pulsed EPR. Furthermore, values routinely quoted for nuclear relaxation times that are deduced from EPR spectral diffusion rates in 14 N-nitroxyl spin labels do not accord with conventional analysis of spin-lattice relaxation in this three-level system. Expressions for CW-saturation EPR with the revised definitions are summarised. Data on nitrogen nuclear spin-lattice relaxation times are compiled according to the three-level scheme for 14 N-relaxation: T 1 n =1/W n . Results are compared and contrasted with those for the two-level 15 N-nitroxide system. Copyright © 2016 Elsevier Inc. All rights reserved.

Trans-kingdom small RNA transfer during host-pathogen interactions: The case of P. falciparum and erythrocytes.

PubMed

Walzer, Katelyn A; Chi, Jen-Tsan

2017-04-03

This review focuses on the role of trans-kingdom movement of small RNA (sRNA) molecules between parasites, particularly Plasmodium falciparum, and their respective host cells. While the intercellular transfer of sRNAs within organisms is well recognized, recent studies illustrate many examples of trans-kingdom sRNA exchange within the context of host-parasite interactions. These interactions are predominantly found in the transfer of host sRNAs between erythrocytes and the invading P. falciparum, as well as other host cell types. In addition, parasite-encoded sRNAs can also be transferred to host cells to evade the immune system. The transport of these parasite sRNAs in the body fluids of the host may also offer means to detect and monitor the parasite infection. These isolated examples may only represent the tip of the iceberg in which the transfer of sRNA between host and parasites is a critical aspect of host-pathogen interactions. In addition, the levels of these sRNAs and their speed of transfer may vary dramatically under different contexts to push the biologic equilibrium toward the benefit of hosts vs. parasites. Therefore, these sRNA transfers may offer potential strategies to detect, prevent or treat parasite infections. Here, we review a brief history of the discovery of host erythrocyte sRNAs, their transfers and interactions in the context of P. falciparum infection. We also provide examples and discuss the functional significance of the reciprocal transfer of parasite-encoded sRNAs into hosts. These understandings of sRNA exchanges are put in the context of their implications for parasite pathogenesis, host defenses and the evolution of host polymorphisms driven by host interactions with these parasites.

Intramolecular H-transfer reactions in Si 2H n (for n=3-5)

NASA Astrophysics Data System (ADS)

Ernst, M. C.; Sax, A. F.; Kalcher, J.

1993-12-01

Intramolecular rearrangement reactions for doublet Si 2H 5 and Si 2H 3, quartet Si 2H 3, and singlet Si 2H 4 have been studied. aim of the study was to characterize a series of intramolecular H-transfer reactions in silicon hydrides with vrying degrees of saturation. The transition states belonging to the reactions presented in this work possess a monobridged Si 2H moiety. Structural features of the transition states and relative barrier heights have been examined; the geometry optimizations were performed with the use of CAS-SCF wavefunctions and the barrier height estimates were obtained with single-point CI calculations.

Human Augmenter of Liver Regeneration; probing the catalytic mechanism of a flavin-dependent sulfhydryl oxidase†

PubMed Central

Schaefer-Ramadan, Stephanie; Gannon, Shawn A.; Thorpe, Colin

2013-01-01

Augmenter of liver regeneration is a member of the ERV family of small flavin-dependent sulfhydryl oxidases that contain a redox-active CxxC disulfide bond in redox communication with the isoalloxazine ring of bound FAD. These enzymes catalyze the oxidation of thiol substrates with the reduction of molecular oxygen to hydrogen peroxide. This work studies the catalytic mechanism of the short, cytokine, form of augmenter of liver regeneration (sfALR) using model thiol substrates of the enzyme. The redox potential of the proximal disulfide in sfALR was found to be approximately 57 mV more reducing than the flavin chromophore, in agreement with titration experiments. Rapid reaction studies show that dithiothreitol (DTT) generates a transient mixed disulfide intermediate with sfALR signaled by a weak charge-transfer interaction between the thiolate of C145 and the oxidized flavin. The subsequent transfer of reducing equivalents to the flavin ring is relatively slow, with a limiting apparent rate constant of 12.4 s−1. However, reoxidation of the reduced flavin by molecular oxygen is even slower (2.3 s−1 at air saturation), and thus largely limits turnover at 5 mM DTT. The nature of the charge-transfer complexes observed with DTT was explored using a range of simple monothiols to mimic the initial nucleophilic attack on the proximal disulfide. While β–mercaptoethanol is a very poor substrate of sfALR (~ 0.3 min−1 at 100 mM thiol), it rapidly generates a mixed disulfide intermediate allowing the thiolate of C145 to form a strong charge-transfer complex with the flavin. Unlike the other monothiols tested, glutathione is unable to form charge-transfer complexes and is an undetectable substrate of the oxidase. These data are rationalized on the basis of the stringent steric requirements for thiol-disulfide exchange reactions. The inability of the relatively bulky glutathione to attain the in-line geometry required for efficient disulfide exchange in sfALR may be physiologically important in preventing the oxidase from catalyzing the potentially harmful oxidation of intracellular glutathione. PMID:24147449

Robust sensorimotor representation to physical interaction changes in humanoid motion learning.

PubMed

Shimizu, Toshihiko; Saegusa, Ryo; Ikemoto, Shuhei; Ishiguro, Hiroshi; Metta, Giorgio

2015-05-01

This paper proposes a learning from demonstration system based on a motion feature, called phase transfer sequence. The system aims to synthesize the knowledge on humanoid whole body motions learned during teacher-supported interactions, and apply this knowledge during different physical interactions between a robot and its surroundings. The phase transfer sequence represents the temporal order of the changing points in multiple time sequences. It encodes the dynamical aspects of the sequences so as to absorb the gaps in timing and amplitude derived from interaction changes. The phase transfer sequence was evaluated in reinforcement learning of sitting-up and walking motions conducted by a real humanoid robot and compatible simulator. In both tasks, the robotic motions were less dependent on physical interactions when learned by the proposed feature than by conventional similarity measurements. Phase transfer sequence also enhanced the convergence speed of motion learning. Our proposed feature is original primarily because it absorbs the gaps caused by changes of the originally acquired physical interactions, thereby enhancing the learning speed in subsequent interactions.

Role of air-water interfaces on retention of viruses under unsaturated conditions

NASA Astrophysics Data System (ADS)

Torkzaban, S.; Hassanizadeh, S. M.; Schijven, J. F.; van den Berg, H. H. J. L.

2006-12-01

We investigated transport of viruses through saturated and unsaturated sand columns. Unsaturated experiments were conducted under conditions of uniform saturation and steady state water flow. The water saturation ranged from 1 to 0.5. Bacteriophages MS2 and ϕX174 were used as surrogates for pathogenic viruses in these studies. Phosphate-buffered solutions with different pH values (7.5, 6.2, 5.5, and 5) were utilized. Virus transport was modeled assuming first-order kinetic adsorption for interactions to the solid-water interface (SWI) and the air-water interface (AWI). Under saturated conditions, virus retention increased as pH decreased, and a one-site kinetic model produced a good fit to the breakthrough curves. Under unsaturated conditions a two-site kinetic model was needed to fit the breakthrough curves satisfactorily. The second site was attributed to the adsorption of phages to the AWI. According to our results, ϕX174 exhibits a high affinity to the AWI at pH values below 6.6 (the isoelectric point of ϕX174). Although it is believed that MS2 is more hydrophobic than ϕX174, MS2 had a lower affinity to the AWI than ϕX174, presumably because of the lower isoelectric point of MS2, which is equal to 3.9. Under unsaturated conditions, viruses captured within the column could be recovered in the column outflow by resaturating and immediately draining the column. Draining columns under saturated conditions, however, did not result in any recovery of viruses. Therefore the recovery can be attributed to the release of viruses adsorbed to the AWI. Our results suggest that electrostatic interactions of viruses with the AWI are much more important than hydrophobicity.

Lysines in the RNA Polymerase II C-Terminal Domain Contribute to TAF15 Fibril Recruitment.

PubMed

Janke, Abigail M; Seo, Da Hee; Rahmanian, Vahid; Conicella, Alexander E; Mathews, Kaylee L; Burke, Kathleen A; Mittal, Jeetain; Fawzi, Nicolas L

2018-05-01

Many cancer-causing chromosomal translocations result in transactivating protein products encoding FET family (FUS, EWSR1, TAF15) low-complexity (LC) domains fused to a DNA binding domain from one of several transcription factors. Recent work demonstrates that higher-order assemblies of FET LC domains bind the carboxy-terminal domain of the large subunit of RNA polymerase II (RNA pol II CTD), suggesting FET oncoproteins may mediate aberrant transcriptional activation by recruiting RNA polymerase II to promoters of target genes. Here we use nuclear magnetic resonance (NMR) spectroscopy and hydrogel fluorescence microscopy localization and fluorescence recovery after photobleaching to visualize atomic details of a model of this process, interactions of RNA pol II CTD with high-molecular weight TAF15 LC assemblies. We report NMR resonance assignments of the intact degenerate repeat half of human RNA pol II CTD alone and verify its predominant intrinsic disorder by molecular simulation. By measuring NMR spin relaxation and dark-state exchange saturation transfer, we characterize the interaction of RNA pol II CTD with amyloid-like hydrogel fibrils of TAF15 and hnRNP A2 LC domains and observe that heptads far from the acidic C-terminal tail of RNA pol II CTD bind TAF15 fibrils most avidly. Mutation of CTD lysines in heptad position 7 to consensus serines reduced the overall level of TAF15 fibril binding, suggesting that electrostatic interactions contribute to complex formation. Conversely, mutations of position 7 asparagine residues and truncation of the acidic tail had little effect. Thus, weak, multivalent interactions between TAF15 fibrils and heptads throughout RNA pol II CTD collectively mediate complex formation.

Supramolecular networks with electron transfer in two dimensions

DOEpatents

Stupp, Samuel I.; Stoddart, J. Fraser; Shveyd, Alexander K.; Tayi, Alok S.; Sue, Chi-Hau; Narayanan, Ashwin

2016-09-13

Organic charge-transfer (CT) co-crystals in a crossed stack system are disclosed. The co-crystals exhibit bidirectional charge transfer interactions where one donor molecule shares electrons with two different acceptors, one acceptor face-to-face and the other edge-to-face. The assembly and charge transfer interaction results in a pleochroic material whereby the optical absorption continuously changes depending on the polarization angle of incident light.

The role of organo-mineral interactions on the capacity of soils to store carbon

NASA Astrophysics Data System (ADS)

Georgiou, K.; Abramoff, R. Z.; Riley, W. J.; Torn, M. S.

2017-12-01

Observed patterns of soil organic carbon (SOC) content across geochemical regimes are signatures of process and provide opportunities to understand the underlying decomposition and stabilization mechanisms that can guide their representation in models. The type of sorption equation used in soil decomposition models has large implications for both SOC stock and its temperature sensitivity. Here we compared different model formulations of SOC sorption to mineral surfaces, motivated by the myriad of chemical associations between organic and mineral surfaces, and used laboratory and field incubations to inform model parameters. We explored linear, Langmuir, and Freundlich adsorption models, where the latter emerges from heterogeneous compositions of substrate and surface components. We show the effect of model representations on predicted trends of SOC as a function of mineralogy and discuss the role of soil C saturation on emergent patterns. Specifically, our results highlight that the response of mineral-associated (`protected') SOC to changes in plant C inputs depends greatly on the C saturation deficit of the soil and thus, the representation of organo-mineral interactions in models can lead to nonlinear steady-state responses in protected SOC. We also find that, consistent with field experiments, the trend in protected SOC and mineral C saturation capacity is linear, but, interestingly, the slope depends on the degree of C saturation. We contend that this latter finding is an important consideration for field studies that did not find a universal slope and interpreted this as an inability of mineralogy to explain observed patterns. Our results also suggest that warming affects this slope, with higher temperatures causing a decrease in the amount of protected C for a given saturation capacity and C input rate. This means that more C inputs will be needed to keep the same amount of protected C at higher temperatures. Organo-mineral interactions play a key role in governing soil C stabilization and long-term storage, and thus, improving their representation for inclusion in Earth system models is crucial for understanding and predicting feedbacks under global change.

Derivation of Pitzer Interaction Parameters for an Aqueous Species Pair of Sodium and Iron(II)-Citrate Complex

NASA Astrophysics Data System (ADS)

Jang, J. H.; Nemer, M.

2015-12-01

The U.S. DOE Waste Isolation Pilot Plant (WIPP) is a deep underground repository for the permanent disposal of transuranic (TRU) radioactive waste. The WIPP is located in the Permian Delaware Basin near Carlsbad, New Mexico, U.S.A. The TRU waste includes, but is not limited to, iron-based alloys and the complexing agent, citric acid. Iron is also present from the steel used in the waste containers. The objective of this analysis is to derive the Pitzer activity coefficients for the pair of Na+ and FeCit- complex to expand current WIPP thermodynamic database. An aqueous model for the dissolution of Fe(OH)2(s) in a Na3Cit solution was fitted to the experimentally measured solubility data. The aqueous model consists of several chemical reactions and related Pitzer interaction parameters. Specifically, Pitzer interaction parameters for the Na+ and FeCit- pair (β(0), β(1), and Cφ) plus the stability constant for species of FeCit- were fitted to the experimental data. Anoxic gloveboxes were used to keep the oxygen level low (<1 ppm) throughout the experiments due to redox sensitivity. EQ3NR, a computer program for geochemical aqueous speciation-solubility calculations, packaged in EQ3/6 v.8.0a, calculates the aqueous speciation and saturation index using an aqueous model addressed in EQ3/6's database. The saturation index indicates how far the system is from equilibrium with respect to the solid of interest. Thus, the smaller the sum of squared saturation indices that the aqueous model calculates for the given number of experiments, the more closely the model attributes equilibrium to each individual experiment with respect to the solid of interest. The calculation of aqueous speciation and saturation indices was repeated by adjusting stability constant of FeCit-, β(0), β(1), and Cφ in the database until the values are found that make the sum of squared saturation indices the smallest for the given number of experiments. Results will be presented at the time of conference.

A THC Simulator for Modeling Fluid-Rock Interactions

NASA Astrophysics Data System (ADS)

Hamidi, Sahar; Galvan, Boris; Heinze, Thomas; Miller, Stephen

2014-05-01

Fluid-rock interactions play an essential role in many earth processes, from a likely influence on earthquake nucleation and aftershocks, to enhanced geothermal system, carbon capture and storage (CCS), and underground nuclear waste repositories. In THC models, two-way interactions between different processes (thermal, hydraulic and chemical) are present. Fluid flow influences the permeability of the rock especially if chemical reactions are taken into account. On one hand solute concentration influences fluid properties while, on the other hand, heat can affect further chemical reactions. Estimating heat production from a naturally fractured geothermal systems remains a complex problem. Previous works are typically based on a local thermal equilibrium assumption and rarely consider the salinity. The dissolved salt in fluid affects the hydro- and thermodynamical behavior of the system by changing the hydraulic properties of the circulating fluid. Coupled thermal-hydraulic-chemical models (THC) are important for investigating these processes, but what is needed is a coupling to mechanics to result in THMC models. Although similar models currently exist (e.g. PFLOTRAN), our objective here is to develop algorithms for implementation using the Graphics Processing Unit (GPU) computer architecture to be run on GPU clusters. To that aim, we present a two-dimensional numerical simulation of a fully coupled non-isothermal non-reactive solute flow. The thermal part of the simulation models heat transfer processes for either local thermal equilibrium or nonequilibrium cases, and coupled to a non-reactive mass transfer described by a non-linear diffusion/dispersion model. The flow process of the model includes a non-linear Darcian flow for either saturated or unsaturated scenarios. For the unsaturated case, we use the Richards' approximation for a mixture of liquid and gas phases. Relative permeability and capillary pressure are determined by the van Genuchten relations. Permeability of rock is controlled by porosity, which is itself related to effective stress. The theoretical model is solved using explicit finite differences, and runs in parallel mode with OpenMP. The code is fully modular so that any combination of current THC processes, one- and two-phase, can be chosen. Future developments will include dissolution and precipitation of chemical components in addition to chemical erosion.

Two-phase heat transfer and pressure drop of LNG during saturated flow boiling in a horizontal tube

NASA Astrophysics Data System (ADS)

Chen, Dongsheng; Shi, Yumei

2013-12-01

Two-phase heat transfer and pressure drop of LNG (liquefied natural gas) have been measured in a horizontal smooth tube with an inner diameter of 8 mm. The experiments were conducted at inlet pressures from 0.3 to 0.7 MPa with a heat flux of 8-36 kW m-2, and mass flux of 49.2-201.8 kg m-2 s-1. The effect of vapor quality, inlet pressure, heat flux and mass flux on the heat transfer characteristic are discussed. The comparisons of the experimental data with the predicted value by existing correlations are analyzed. Zou et al. (2010) correlation shows the best accuracy with 24.1% RMS deviation among them. Moreover four frictional pressure drop methods are also chosen to compare with the experimental database.

Effects of molecular structure on microscopic heat transport in chain polymer liquids

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

Matsubara, Hiroki, E-mail: matsubara@microheat.ifs.tohoku.ac.jp; Kikugawa, Gota; Ohara, Taku

2015-04-28

In this paper, we discuss the molecular mechanism of the heat conduction in a liquid, based on nonequilibrium molecular dynamics simulations of a systematic series of linear- and branched alkane liquids, as a continuation of our previous study on linear alkane [T. Ohara et al., J. Chem. Phys. 135, 034507 (2011)]. The thermal conductivities for these alkanes in a saturated liquid state at the same reduced temperature (0.7T{sub c}) obtained from the simulations are compared in relation to the structural difference of the liquids. In order to connect the thermal energy transport characteristics with molecular structures, we introduce the newmore » concept of the interatomic path of heat transfer (atomistic heat path, AHP), which is defined for each type of inter- and intramolecular interaction. It is found that the efficiency of intermolecular AHP is sensitive to the structure of the first neighbor shell, whereas that of intramolecular AHP is similar for different alkane species. The dependence of thermal conductivity on different lengths of the main and side chain can be understood from the natures of these inter- and intramolecular AHPs.« less

Differential Epitope Mapping by STD NMR Spectroscopy To Reveal the Nature of Protein-Ligand Contacts.

PubMed

Monaco, Serena; Tailford, Louise E; Juge, Nathalie; Angulo, Jesus

2017-11-27

Saturation transfer difference (STD) NMR spectroscopy is extensively used to obtain epitope maps of ligands binding to protein receptors, thereby revealing structural details of the interaction, which is key to direct lead optimization efforts in drug discovery. However, it does not give information about the nature of the amino acids surrounding the ligand in the binding pocket. Herein, we report the development of the novel method differential epitope mapping by STD NMR (DEEP-STD NMR) for identifying the type of protein residues contacting the ligand. The method produces differential epitope maps through 1) differential frequency STD NMR and/or 2) differential solvent (D 2 O/H 2 O) STD NMR experiments. The two approaches provide different complementary information on the binding pocket. We demonstrate that DEEP-STD NMR can be used to readily obtain pharmacophore information on the protein. Furthermore, if the 3D structure of the protein is known, this information also helps in orienting the ligand in the binding pocket. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Binding modes of environmental endocrine disruptors to human serum albumin: insights from STD-NMR, ITC, spectroscopic and molecular docking studies.

PubMed

Yang, Hongqin; Huang, Yanmei; Liu, Jiuyang; Tang, Peixiao; Sun, Qiaomei; Xiong, Xinnuo; Tang, Bin; He, Jiawei; Li, Hui

2017-09-11

Given that bisphenols have an endocrine-disrupting effect on human bodies, thoroughly exposing their potential effects at the molecular level is important. Saturation transfer difference (STD) NMR-based binding studies were performed to investigate the binding potential of two bisphenol representatives, namely, bisphenol B (BPB) and bisphenol E (BPE), toward human serum albumin (HSA). The relative STD (%) suggested that BPB and BPE show similar binding modes and orientations, in which the phenolic rings were spatially close to HSA binding site. ITC analysis results showed that BPB and BPE were bound to HSA with moderately strong binding affinity through electrostatic interactions and hydrogen bonds. The order of binding affinity of HSA for two test bisphenols is as follows: BPE > BPB. The results of fluorescence competitive experiments using 5-dimethylaminonaphthalene-1-sulfonamide and dansylsarcosine as competitors, combined with molecular docking indicated that both bisphenols are prone to attach to the binding site II in HSA. Spectroscopic results (FT-IR, CD, synchronous and 3D fluorescence spectra) showed that BPB/BPE induces different degrees of microenvironmental and conformational changes to HSA.

Spectroscopic investigations using density functional theory on 2-methoxy- 4(phenyliminomethyl)phenol: A non linear optical material

NASA Astrophysics Data System (ADS)

Hijas, K. M.; Madan Kumar, S.; Byrappa, K.; Geethakrishnan, T.; Jeyaram, S.; Nagalakshmi, R.

2018-03-01

Single crystals of 2-methoxy-4(phenyliminomethyl)phenol were grown from ethanol by slow evaporation solution growth technique. Single crystal X-ray diffraction experiment reveals the crystallization in orthorhombic system having non-centrosymmetric space group C2221. Geometrical optimization by density functional theory method was carried out using Gaussian program and compared with experimental results. Detailed experimental and theoretical vibrational analyses were carried out and the results were correlated to find close agreement. Thermal analyses show the material is thermally stable with a melting point of 159 °C. Natural bond orbital analysis was carried out to explain charge transfer interactions through hydrogen bonding. Relatively smaller HOMO-LUMO band gap favors the non linear optical activity of the molecule. Natural population analysis and molecular electrostatic potential calculations visualize the charge distribution in an isolated molecule. Calculated first-order molecular hyperpolarizability and preliminary second harmonic generation test carried out using Kurtz-Perry technique establish 2-methoxy-4(phenyliminomethyl)phenol crystal as a good non linear optical material. Z-scan proposes the material for reverse saturable absorption.

Effects of molecular structure on microscopic heat transport in chain polymer liquids.

PubMed

Matsubara, Hiroki; Kikugawa, Gota; Bessho, Takeshi; Yamashita, Seiji; Ohara, Taku

2015-04-28

In this paper, we discuss the molecular mechanism of the heat conduction in a liquid, based on nonequilibrium molecular dynamics simulations of a systematic series of linear- and branched alkane liquids, as a continuation of our previous study on linear alkane [T. Ohara et al., J. Chem. Phys. 135, 034507 (2011)]. The thermal conductivities for these alkanes in a saturated liquid state at the same reduced temperature (0.7Tc) obtained from the simulations are compared in relation to the structural difference of the liquids. In order to connect the thermal energy transport characteristics with molecular structures, we introduce the new concept of the interatomic path of heat transfer (atomistic heat path, AHP), which is defined for each type of inter- and intramolecular interaction. It is found that the efficiency of intermolecular AHP is sensitive to the structure of the first neighbor shell, whereas that of intramolecular AHP is similar for different alkane species. The dependence of thermal conductivity on different lengths of the main and side chain can be understood from the natures of these inter- and intramolecular AHPs.

Oscillatory instability of a self-rewetting film driven by thermal modulation

NASA Astrophysics Data System (ADS)

Batson, William; Agnon, Yehuda; Oron, Alex

2016-11-01

Here we consider the self-rewetting fluids (SRWFs) that exhibit a well-defined minimum surface tension with respect to temperature, in contrast to those where surface tension decreases linearly. Utilization of SRWFs has grown significantly in the past decade, due to observations that heat transfer is enhanced in applications such as film boiling and pulsating heat pipes. With similar applications in mind, we investigate the dynamics of a thin SRWF film which is subjected to a temperature modulation in the bounding gas. A model is developed within the framework of the long-wave approximation, and a time-averaged thermocapillary driving force for destabilization is uncovered for SRWFs that results from the nonlinear surface tension. Linear analysis of the nonlinear PDE for the film thickness is used to determine the critical conditions at which this driving force destabilizes the film, and, numerical integration of this evolution equation reveals that linearly unstable perturbations saturate to regular periodic solutions (when the modulational frequency is set properly). Properties of these flows such as bifurcation and long-domain flows, where multiple unstable linear modes interact, will also be discussed.

Effect of film thickness on soft magnetic behavior of Fe2CoSi Heusler alloy for spin transfer torque device applications

NASA Astrophysics Data System (ADS)

Asvini, V.; Saravanan, G.; Kalaiezhily, R. K.; Raja, M. Manivel; Ravichandran, K.

2018-04-01

Fe2CoSi based Heusler alloy thin films were deposited on Si (111) wafer (substrate) of varying thickness using ultra high vacuum DC magnetron sputtering. The structural behavior was observed and found to be hold the L21 structure. The deposited thin films were characterized magnetic properties using vibrating sample magnetometer; the result shows a very high saturated magnetization (Ms), lowest coercivity (Hc), high curie transition temperature (Tc) and low hysteresis loss. Thin film thickness of 75 nm Fe2CoSi sample maintained at substrate temperature 450°C shows the lowest coercivity (Hc=7 Oe). In general, Fe2CoSi Heusler alloys curie transition temperature is very high, due to strong exchange interaction between the Fe and Co atoms. The substrate temperature was kept constant at 450°C for varying thickness (e.g. 5, 20, 50, 75 and 100 nm) of thin film sample. The 75 nm thickness thin film sample shows well crystallanity and good magnetic properties, further squareness ratio in B-H loop increases with the increase in film thickness.

Fluorescence Spectroscopy in Thermodynamic and Kinetic Analysis of pH-Dependent Membrane Protein Insertion

PubMed Central

Ladokhin, Alexey S.

2016-01-01

Experimental determination of the free energy stabilizing the structure of membrane proteins in their native lipid environment is undermined by a lack of appropriate methods and suitable model systems. Here, we demonstrate how fluorescence correlation spectroscopy can be used to characterize thermodynamics of pH-triggered bilayer insertion of nonconstitutive membrane proteins (e.g., bacterial toxins, colicins). The experimental design is guided by the appropriate thermodynamic scheme which considers two independent processes: pH-dependent formation of a membrane-competent form and its insertion into the lipid bilayer. Measurements of a model protein annexin B12 under conditions of lipid saturation demonstrate that protonation leading to the formation of the membrane-competent state occurs near membrane interface. Lipid titration experiments demonstrate that the free energy of transfer to the intermediate interfacial state is especially favorable, while the free energy of final insertion is modulated by interplay of hydrophobic and electrostatic interactions on the bilayer interface. The general principles of kinetic measurements along the insertion pathway containing interfacial intermediate are discussed and practical examples emphasizing appropriate fitting and normalization procedures are presented. PMID:21609856

Capillary electrophoresis, a method for the determination of nucleic acid ligands covalently attached to quantum dots representing a donor of Förster resonance energy transfer.

PubMed

Datinská, Vladimíra; Klepárník, Karel; Belšánová, Barbora; Minárik, Marek; Foret, František

2018-05-09

The synthesis and determination of the structure of a Förster resonance energy transfer probe intended for the detection of specific nucleic acid sequences are described here. The probe is based on the hybridization of oligonucleotide modified quantum dots with a fluorescently labeled nucleic acid sample resulting in changes of the fluorescence emission due to the energy transfer effect. The stoichiometry distribution of oligonucleotides conjugated to quantum dots was determined by capillary electrophoresis separation. The results indicate that one to four molecules of oligonucleotide are conjugated to the surface of a single nanoparticle. This conclusion is confirmed by the course of the dependence of Förster resonance energy transfer efficiency on the concentration of fluorescently labeled complementary single-stranded nucleic acid, showing saturation. While the energy transfer efficiency of the probe hybridized with complementary nucleic acid strands was 30%, negligible efficiency was observed with a non-complementary strands. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

The heat transfer coefficient determination with the use of the Beck-Trefftz method in flow boiling in a minichannel

NASA Astrophysics Data System (ADS)

Strąk, Kinga; Maciejewska, Beata; Piasecka, Magdalena

2018-06-01

In this paper, the solution of the two-dimensional inverse heat transfer problem with the use of the Beck method coupled with the Trefftz method is proposed. This method was applied for solving an inverse heat conduction problem. The aim of the calculation was to determine the boiling heat transfer coefficient on the basis of temperature measurements taken by infrared thermography. The experimental data of flow boiling heat transfer in a single vertical minichannel of 1.7 mm depth, heated asymmetrically, were used in calculations. The heating element for two refrigerants (FC-72 and HFE-7100, 3M) flowing in the minichannel was the plate enhanced on the side contacting with the fluid. The analysis of the results was performed on the basis of experimental series obtained for the same heat flux and two different mass flow velocities. The results were presented as infrared thermographs, heated wall temperature and heat transfer coefficient as a function of the distance from the minichannel inlet. The results was discussed for the subcooled and saturated boiling regions separately.

Iterative optimization method for design of quantitative magnetization transfer imaging experiments.

PubMed

Levesque, Ives R; Sled, John G; Pike, G Bruce

2011-09-01

Quantitative magnetization transfer imaging (QMTI) using spoiled gradient echo sequences with pulsed off-resonance saturation can be a time-consuming technique. A method is presented for selection of an optimum experimental design for quantitative magnetization transfer imaging based on the iterative reduction of a discrete sampling of the Z-spectrum. The applicability of the technique is demonstrated for human brain white matter imaging at 1.5 T and 3 T, and optimal designs are produced to target specific model parameters. The optimal number of measurements and the signal-to-noise ratio required for stable parameter estimation are also investigated. In vivo imaging results demonstrate that this optimal design approach substantially improves parameter map quality. The iterative method presented here provides an advantage over free form optimal design methods, in that pragmatic design constraints are readily incorporated. In particular, the presented method avoids clustering and repeated measures in the final experimental design, an attractive feature for the purpose of magnetization transfer model validation. The iterative optimal design technique is general and can be applied to any method of quantitative magnetization transfer imaging. Copyright © 2011 Wiley-Liss, Inc.

Assessing geotechnical centrifuge modelling in addressing variably saturated flow in soil and fractured rock.

PubMed

Jones, Brendon R; Brouwers, Luke B; Van Tonder, Warren D; Dippenaar, Matthys A

2017-05-01

The vadose zone typically comprises soil underlain by fractured rock. Often, surface water and groundwater parameters are readily available, but variably saturated flow through soil and rock are oversimplified or estimated as input for hydrological models. In this paper, a series of geotechnical centrifuge experiments are conducted to contribute to the knowledge gaps in: (i) variably saturated flow and dispersion in soil and (ii) variably saturated flow in discrete vertical and horizontal fractures. Findings from the research show that the hydraulic gradient, and not the hydraulic conductivity, is scaled for seepage flow in the geotechnical centrifuge. Furthermore, geotechnical centrifuge modelling has been proven as a viable experimental tool for the modelling of hydrodynamic dispersion as well as the replication of similar flow mechanisms for unsaturated fracture flow, as previously observed in literature. Despite the imminent challenges of modelling variable saturation in the vadose zone, the geotechnical centrifuge offers a powerful experimental tool to physically model and observe variably saturated flow. This can be used to give valuable insight into mechanisms associated with solid-fluid interaction problems under these conditions. Findings from future research can be used to validate current numerical modelling techniques and address the subsequent influence on aquifer recharge and vulnerability, contaminant transport, waste disposal, dam construction, slope stability and seepage into subsurface excavations.

Temperature dependence of DC transport characteristics for a two-dimensional electron gas in an undoped Si/SiGe heterostructure

NASA Astrophysics Data System (ADS)

Chou, Kuan-Yu; Hsu, Nai-Wen; Su, Yi-Hsin; Chou, Chung-Tao; Chiu, Po-Yuan; Chuang, Yen; Li, Jiun-Yun

2018-02-01

We investigate DC characteristics of a two-dimensional electron gas (2DEG) in an undoped Si/SiGe heterostructure and its temperature dependence. An insulated-gate field-effect transistor was fabricated, and transfer characteristics were measured at 4 K-300 K. At low temperatures (T < 45 K), source electrons are injected into the buried 2DEG channel first and drain current increases with the gate voltage. By increasing the gate voltage further, the current saturates followed by a negative transconductance observed, which can be attributed to electron tunneling from the buried channel to the surface channel. Finally, the drain current is saturated again at large gate biases due to parallel conduction of buried and surface channels. By increasing the temperature, an abrupt increase in threshold voltage is observed at T ˜ 45 K and it is speculated that negatively charged impurities at the Al2O3/Si interface are responsible for the threshold voltage shift. At T > 45 K, the current saturation and negative transconductance disappear and the device acts as a normal transistor.

Toward multiscale modelings of grain-fluid systems

NASA Astrophysics Data System (ADS)

Chareyre, Bruno; Yuan, Chao; Montella, Eduard P.; Salager, Simon

2017-06-01

Computationally efficient methods have been developed for simulating partially saturated granular materials in the pendular regime. In contrast, one hardly avoid expensive direct resolutions of 2-phase fluid dynamics problem for mixed pendular-funicular situations or even saturated regimes. Following previous developments for single-phase flow, a pore-network approach of the coupling problems is described. The geometry and movements of phases and interfaces are described on the basis of a tetrahedrization of the pore space, introducing elementary objects such as bridge, meniscus, pore body and pore throat, together with local rules of evolution. As firmly established local rules are still missing on some aspects (entry capillary pressure and pore-scale pressure-saturation relations, forces on the grains, or kinetics of transfers in mixed situations) a multi-scale numerical framework is introduced, enhancing the pore-network approach with the help of direct simulations. Small subsets of a granular system are extracted, in which multiphase scenario are solved using the Lattice-Boltzman method (LBM). In turns, a global problem is assembled and solved at the network scale, as illustrated by a simulated primary drainage.

A Line Impedance Conditioner for Saturation Mitigation of Zigzag Transformer in Hybrid AC/DC Transmission System Considering Line Unbalances

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

Liu, Bo; Shi, Xiaojie M.; Li, Yalong

Hybrid ac/dc transmission extends the power transfer capacity of existing long ac lines closer to their thermal limit, by superposing the dc current onto three-phase ac lines through a zigzag transformer. However, this transformer could suffer saturation under unbalanced line impedance conditions. This paper introduces the concept of hybrid line impedance conditioner (HLIC) as a cost-effective approach to compensate for the line unbalance and therefore avoid saturation. The topology and operation principle are presented. The two-level control strategy is described, which enables autonomous adaptive regulation without the need of system-level control. Design and implementation are also analyzed, including dc-link capacitancemore » as one of the key line conditioner components, HLIC installation, and protection under fault conditions. The cost study on this HLIC-based hybrid system is also performed to reveal the benefits of the solution. In conclusion, simulation results and experimental results based on a down-scaled prototype are provided to verify the feasibility of the proposed approach.« less

Tm-doped fiber laser mode-locking with MoS2-polyvinyl alcohol saturable absorber

NASA Astrophysics Data System (ADS)

Cao, Liming; Li, Xing; Zhang, Rui; Wu, Duanduan; Dai, Shixun; Peng, Jian; Weng, Jian; Nie, Qiuhua

2018-03-01

We have designed an all-fiber passive mode-locking thulium-doped fiber laser that uses molybdenum disulfide (MoS2) as a saturable absorber (SA) material. A free-standing few-layer MoS2-polyvinyl alcohol (PVA) film is fabricated by liquid phase exfoliation (LPE) and is then transferred onto the end face of a fiber connector. The excellent saturable absorption of the fabricated MoS2-based SA allows the laser to output soliton pulses at a pump power of 500 mW. Fundamental frequency mode-locking is realized at a repetition frequency of 13.9 MHz. The central wavelength is 1926 nm, the 3 dB spectral bandwidth is 2.86 nm and the pulse duration is 1.51 ps. Additionally, third-order harmonic mode-locking of the laser is also achieved. The pulse duration is 1.33 ps, which is slightly narrower than the fundamental frequency mode-locking bandwidth. The experimental results demonstrate that the few-layer MoS2-PVA SA is promising for use in 2 μm laser systems.

A Line Impedance Conditioner for Saturation Mitigation of Zigzag Transformer in Hybrid AC/DC Transmission System Considering Line Unbalances

DOE PAGES

Liu, Bo; Shi, Xiaojie M.; Li, Yalong; ...

2016-09-13

Hybrid ac/dc transmission extends the power transfer capacity of existing long ac lines closer to their thermal limit, by superposing the dc current onto three-phase ac lines through a zigzag transformer. However, this transformer could suffer saturation under unbalanced line impedance conditions. This paper introduces the concept of hybrid line impedance conditioner (HLIC) as a cost-effective approach to compensate for the line unbalance and therefore avoid saturation. The topology and operation principle are presented. The two-level control strategy is described, which enables autonomous adaptive regulation without the need of system-level control. Design and implementation are also analyzed, including dc-link capacitancemore » as one of the key line conditioner components, HLIC installation, and protection under fault conditions. The cost study on this HLIC-based hybrid system is also performed to reveal the benefits of the solution. In conclusion, simulation results and experimental results based on a down-scaled prototype are provided to verify the feasibility of the proposed approach.« less

Optical Limiting Using the Two-Photon Absorption Electrical Modulation Effect in HgCdTe Photodiode

PubMed Central

Cui, Haoyang; Yang, Junjie; Zeng, Jundong; Tang, Zhong

2013-01-01

The electrical modulation properties of the output intensity of two-photon absorption (TPA) pumping were analyzed in this paper. The frequency dispersion dependence of TPA and the electric field dependence of TPA were calculated using Wherrett theory model and Garcia theory model, respectively. Both predicted a dramatic variation of TPA coefficient which was attributed into the increasing of the transition rate. The output intensity of the laser pulse propagation in the pn junction device was calculated by using function-transfer method. It shows that the output intensity increases nonlinearly with increasing intensity of incident light and eventually reaches saturation. The output saturation intensity depends on the electric field strength; the greater the electric field, the smaller the output intensity. Consequently, the clamped saturation intensity can be controlled by the electric field. The prior advantage of electrical modulation is that the TPA can be varied extremely continuously, thus adjusting the output intensity in a wide range. This large change provides a manipulate method to control steady output intensity of TPA by adjusting electric field. PMID:24198721

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

Stubos, A.K.; Caseiras, C.P.; Buchlin, J.M.

The transient two-phase flow and phase change heat transfer processes in porous media are investigated. Based on an enthalpic approach, a one-domain formulation of the problem is developed, avoiding explicit internal boundary tracking between single- and two-phase regions. An efficient numerical scheme is applied to obtain the solution on a fixed two-dimensional grid. The transient response of a liquid-saturated, self-heated porous bed is examined in detail. A physical interpretation of a liquid-saturated, self-heated porous bed is examined in detail. A physical interpretation of the computed response to fast power transients is attempted. Comparisons with experimental data are made regarding themore » average void fraction and the limiting dryout heat flux. The numerical approach is extended, keeping the one-domain formulation, to include the surrounding wall structure in the calculation.« less

Heating of a fully saturated darcian half-space: Pressure generation, fluid expulsion, and phase change

USGS Publications Warehouse

Delaney, P.

1984-01-01

Analytical solutions are developed for the pressurization, expansion, and flow of one- and two-phase liquids during heating of fully saturated and hydraulically open Darcian half-spaces subjected to a step rise in temperature at its surface. For silicate materials, advective transfer is commonly unimportant in the liquid region; this is not always the case in the vapor region. Volume change is commonly more important than heat of vaporization in determining the position of the liquid-vapor interface, assuring that the temperatures cannot be determined independently of pressures. Pressure increases reach a maximum near the leading edge of the thermal front and penetrate well into the isothermal region of the body. Mass flux is insensitive to the hydraulic properties of the half-space. ?? 1984.

Superradiant Instability and Backreaction of Massive Vector Fields around Kerr Black Holes.

PubMed

East, William E; Pretorius, Frans

2017-07-28

We study the growth and saturation of the superradiant instability of a complex, massive vector (Proca) field as it extracts energy and angular momentum from a spinning black hole, using numerical solutions of the full Einstein-Proca equations. We concentrate on a rapidly spinning black hole (a=0.99) and the dominant m=1 azimuthal mode of the Proca field, with real and imaginary components of the field chosen to yield an axisymmetric stress-energy tensor and, hence, spacetime. We find that in excess of 9% of the black hole's mass can be transferred into the field. In all cases studied, the superradiant instability smoothly saturates when the black hole's horizon frequency decreases to match the frequency of the Proca cloud that spontaneously forms around the black hole.

Saturation of recognition elements blocks evolution of new tRNA identities

PubMed Central

Saint-Léger, Adélaïde; Bello, Carla; Dans, Pablo D.; Torres, Adrian Gabriel; Novoa, Eva Maria; Camacho, Noelia; Orozco, Modesto; Kondrashov, Fyodor A.; Ribas de Pouplana, Lluís

2016-01-01

Understanding the principles that led to the current complexity of the genetic code is a central question in evolution. Expansion of the genetic code required the selection of new transfer RNAs (tRNAs) with specific recognition signals that allowed them to be matured, modified, aminoacylated, and processed by the ribosome without compromising the fidelity or efficiency of protein synthesis. We show that saturation of recognition signals blocks the emergence of new tRNA identities and that the rate of nucleotide substitutions in tRNAs is higher in species with fewer tRNA genes. We propose that the growth of the genetic code stalled because a limit was reached in the number of identity elements that can be effectively used in the tRNA structure. PMID:27386510

Nonlinear dynamics and anisotropic structure of rotating sheared turbulence.

PubMed

Salhi, A; Jacobitz, F G; Schneider, K; Cambon, C

2014-01-01

Homogeneous turbulence in rotating shear flows is studied by means of pseudospectral direct numerical simulation and analytical spectral linear theory (SLT). The ratio of the Coriolis parameter to shear rate is varied over a wide range by changing the rotation strength, while a constant moderate shear rate is used to enable significant contributions to the nonlinear interscale energy transfer and to the nonlinear intercomponental redistribution terms. In the destabilized and neutral cases, in the sense of kinetic energy evolution, nonlinearity cannot saturate the growth of the largest scales. It permits the smallest scale to stabilize by a scale-by-scale quasibalance between the nonlinear energy transfer and the dissipation spectrum. In the stabilized cases, the role of rotation is mainly nonlinear, and interacting inertial waves can affect almost all scales as in purely rotating flows. In order to isolate the nonlinear effect of rotation, the two-dimensional manifold with vanishing spanwise wave number is revisited and both two-component spectra and single-point two-dimensional energy components exhibit an important effect of rotation, whereas the SLT as well as the purely two-dimensional nonlinear analysis are unaffected by rotation as stated by the Proudman theorem. The other two-dimensional manifold with vanishing streamwise wave number is analyzed with similar tools because it is essential for any shear flow. Finally, the spectral approach is used to disentangle, in an analytical way, the linear and nonlinear terms in the dynamical equations.

Donor/acceptor coupling in mixed-valent dinuclear iron polypyridyl complexes: experimental and theoretical considerations

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

Elliott, C.M.; Derr, D.L.; Ferrere, S.

1996-06-05

Coupling between donor and acceptor orbitals for optically-induced intervalence electron transfer processes has been considered for a series of rigid mixed-valent dinuclear tris(2,2`-bipyridine)iron complexes. Each of the four complexes considered ontains three saturated bridges which link the two tris(2,2`-bipyridine)iron moieties. The bridging linkages are -CH{sub 2}CH{sub 2}-, -CH{sub 2}CH{sub 2}CH{sub 2}-, -CH{sub 2}OCH{sub 2}-. Despite differences in the composition of the bridges X-ray diffraction and/or molecular dynamics calculations show that the metal-metal separation and relative bipyridine orientations among all four complexes are nearly identical. Consequently, the only factor which differs significantly among these complexes and which might affect the donor-acceptormore » coupling in the mixed-valent forms is their connectivity. Theses complexes thus provide a unique opportunity to focus on potential superexchange coupling in the absence of ambiguities introduced by other structural and energetic considerations. Theories developed by Mulliken and Hush have been applied to intervalence charge-transfer transitions in order to obtain values of the coupling matrix elements, H{sub 12}. Configuration interaction calculations were also carried out for each of the [Fe{sub 2}(L){sub 3}]{sub 5+} complexes to provide theoretical values of H{sub 12} and the effective donor/acceptor separation distances (r{sub DA}). Experimental and theoretical results for H{sub 12} are in excellent agreement. 31 refs., 3 figs., 4 tabs.« less

Unconstrained Respiration Measurement and Respiratory Arrest Detection Method by Dynamic Threshold in Transferring Patients by Stretchers

NASA Astrophysics Data System (ADS)

Kurihara, Yosuke; Watanabe, Kajiro; Kobayashi, Kazuyuki; Tanaka, Hiroshi

General anesthesia used for surgical operations may cause unstable conditions of the patients after the operations, which could lead to respiratory arrests. Under such circumstances, nurses could fail in finding the change of the conditions, and other malpractices could also occur. It is highly possible that such malpractices may occur while transferring a patient from ICU to the room using a stretcher. Monitoring the change in the blood oxygen saturation concentration and other vital signs to detect a respiratory arrest is not easy when transferring a patient on a stretcher. Here we present several noise reduction system and algorithm to detect respiratory arrests in transferring a patient, based on the unconstrained air pressure method that the authors presented previously. As the result, when the acceleration level of the stretcher noise was 0.5G, the respiratory arrest detection ratio using this novel method was 65%, while that with the conventional method was 0%.

Non-Linearity in Wide Dynamic Range CMOS Image Sensors Utilizing a Partial Charge Transfer Technique.

PubMed

Shafie, Suhaidi; Kawahito, Shoji; Halin, Izhal Abdul; Hasan, Wan Zuha Wan

2009-01-01

The partial charge transfer technique can expand the dynamic range of a CMOS image sensor by synthesizing two types of signal, namely the long and short accumulation time signals. However the short accumulation time signal obtained from partial transfer operation suffers of non-linearity with respect to the incident light. In this paper, an analysis of the non-linearity in partial charge transfer technique has been carried, and the relationship between dynamic range and the non-linearity is studied. The results show that the non-linearity is caused by two factors, namely the current diffusion, which has an exponential relation with the potential barrier, and the initial condition of photodiodes in which it shows that the error in the high illumination region increases as the ratio of the long to the short accumulation time raises. Moreover, the increment of the saturation level of photodiodes also increases the error in the high illumination region.

High-frequency self-aligned graphene transistors with transferred gate stacks

PubMed Central

Cheng, Rui; Bai, Jingwei; Liao, Lei; Zhou, Hailong; Chen, Yu; Liu, Lixin; Lin, Yung-Chen; Jiang, Shan; Huang, Yu; Duan, Xiangfeng

2012-01-01

Graphene has attracted enormous attention for radio-frequency transistor applications because of its exceptional high carrier mobility, high carrier saturation velocity, and large critical current density. Herein we report a new approach for the scalable fabrication of high-performance graphene transistors with transferred gate stacks. Specifically, arrays of gate stacks are first patterned on a sacrificial substrate, and then transferred onto arbitrary substrates with graphene on top. A self-aligned process, enabled by the unique structure of the transferred gate stacks, is then used to position precisely the source and drain electrodes with minimized access resistance or parasitic capacitance. This process has therefore enabled scalable fabrication of self-aligned graphene transistors with unprecedented performance including a record-high cutoff frequency up to 427 GHz. Our study defines a unique pathway to large-scale fabrication of high-performance graphene transistors, and holds significant potential for future application of graphene-based devices in ultra–high-frequency circuits. PMID:22753503

Saturating effects of species diversity on life-history evolution in bacteria.

PubMed

Fiegna, Francesca; Scheuerl, Thomas; Moreno-Letelier, Alejandra; Bell, Thomas; Barraclough, Timothy G

2015-09-22

Species interactions can play a major role in shaping evolution in new environments. In theory, species interactions can either stimulate evolution by promoting coevolution or inhibit evolution by constraining ecological opportunity. The relative strength of these effects should vary as species richness increases, and yet there has been little evidence for evolution of component species in communities. We evolved bacterial microcosms containing between 1 and 12 species in three different environments. Growth rates and yields of isolates that evolved in communities were lower than those that evolved in monocultures, consistent with recent theory that competition constrains species to specialize on narrower sets of resources. This effect saturated or reversed at higher levels of richness, consistent with theory that directional effects of species interactions should weaken in more diverse communities. Species varied considerably, however, in their responses to both environment and richness levels. Mechanistic models and experiments are now needed to understand and predict joint evolutionary dynamics of species in diverse communities. © 2015 The Authors.

Saturated fat consumption and the Theory of Planned Behaviour: exploring additive and interactive effects of habit strength.

PubMed

de Bruijn, Gert-Jan; Kroeze, Willemieke; Oenema, Anke; Brug, Johannes

2008-09-01

The additive and interactive effects of habit strength in the explanation of saturated fat intake were explored within the framework of the Theory of Planned Behaviour (TPB). Cross-sectional data were gathered in a Dutch adult sample (n=764) using self-administered questionnaires and analyzed using hierarchical regression analyses and simple slope analyses. Results showed that habit strength was a significant correlate of fat intake (beta=-0.11) and significantly increased the amount of explained variance in fat intake (R(2-change)=0.01). Furthermore, based on a significant interaction effect (beta=0.11), simple slope analyses revealed that intention was a significant correlate of fat intake for low levels (beta=-0.29) and medium levels (beta=-0.19) of habit strength, but a weaker and non-significant correlate for high levels (beta=-0.07) of habit strength. Higher habit strength may thus make limiting fat intake a non-intentional behaviour. Implications for information and motivation-based interventions are discussed.

Studies on the lithium transport across the red cell membrane. II. Characterization of ouabain-sensitive and ouabain-insensitive Li+ transport. Effects of bicarbonate and dipyridamole.

PubMed

Duhm, J; Becker, B F

1977-01-17

In studies on Li+ net-transport across the human red cell membrane following results were obtained: 1. In K+- and Na+-free choline chloride media, Li+ is transported into the erythrocytes against an electrochemical gradient. This Li+ uphill transport as well as Li+ downhill transport into the cells is inhibited by ouabain, ATP-depletion, and by external K+ and Na+. The effects of K+ and Na+ are relieved at high Li+ concentrations. 2. Ouabain-sensitive Li+ uptake, determined at 10 mM external Na+, does not obey simple Michaelis-Menten kinetics and exhibits a maximum at about pH 7. 3. Ouabain-resistant Li+ downhill transport into erythrocytes increases with rising pH. It is comprised of a saturating component and a component linearly dependent on external Li+. The linear component is partly inhibited by dipyridamole and accelerated by bicarbonate. The bicarbonate effect can be completely blocked by dipyridamole, phlorizin and phenylbutazone. 4. Li+ release is not inhibited by ouabain, ATP-depletion and external K+. It increases with external Na+ concentration, tending to saturate at 150 mM Na+. Na+-independent Li+ release is stimulated by bicarbonate. It is concluded that ouabain-sensitive Li+ uptake is mediated at the K+-site(s) of the Na+-K+ pump. Li+, K+ and Na+ appear to compete for a common site (or sites). The stimulation of Li+ transfer by bicarbonate and the inhibition by dipyridamole suggest a participation of anionic species in ouabain-resistant Li+ transfer. The Na+-dependent Li+ release and the "saturating component" of Li+ uptake are ascribed to the Na+-dependent Li+ countertransport system.

Pulse excitation method for measurement of high frequency magnetic properties of large cores (abstract)

NASA Astrophysics Data System (ADS)

Hikosaka, Tomoyuki; Miyamoto, Masahiro; Yamada, Mamoru; Morita, Tadashi

1993-05-01

It is very important to obtain saturated magnetic properties from reverse saturation (full B-H curve) of ferromagnetic cores to design magnetic switches which are used in high power pulse generators. The magnetic switch is excited in the high frequency range (˜MHz). But, it is extremely difficult to measure full B-H curve of large toroidal cores of which diameter is some hundreds of mm, using the conventional ac excitation method at high frequency. The main reason is poor output ability of power source for core excitation. Therefore we have developed pulse excitation method to get high frequency magnetic properties. The measurement circuit has two sections. One is excitation part composed by charge transfer circuit. The others is reset part for adjustment initial point on direct B-H curve. The sample core is excited by sinusoidal voltage pulse expressed as 1-cos(2π ft). Excitation frequency f is decided by the constants of the elements of the charge transfer circuit. The change of magnetic flux density ΔB and magnetic field H are calculated, respectively, by measuring the induced voltage of search coil and magnetizing current. ΔB-H characteristics from reverse saturation of four different kinds of large cores were measured in frequency range from 50 kHz to 1 MHz. Core loss increases in proportion to Nth powers of the frequency, where the index N depends on each of cores. N is about 0.5 in case of winding ribbon cores, such as Fe-based amorphous, Co-based amorphous, and Finemet, but N is about 0.2 in case of the Ni-Zn ferrite.

Ferroportin disease: pathogenesis, diagnosis and treatment

PubMed Central

Pietrangelo, Antonello

2017-01-01

Ferroportin Disease (FD) is an autosomal dominant hereditary iron loading disorder associated with heterozygote mutations of the ferroportin-1 (FPN) gene. It represents one of the commonest causes of genetic hyperferritinemia, regardless of ethnicity. FPN1 transfers iron from the intestine, macrophages and placenta into the bloodstream. In FD, loss-of-function mutations of FPN1 limit but do not impair iron export in enterocytes, but they do severely affect iron transfer in macrophages. This leads to progressive and preferential iron trapping in tissue macrophages, reduced iron release to serum transferrin (i.e. inappropriately low transferrin saturation) and a tendency towards anemia at menarche or after intense bloodletting. The hallmark of FD is marked iron accumulation in hepatic Kupffer cells. Numerous FD-associated mutations have been reported worldwide, with a few occurring in different populations and some more commonly reported (e.g. Val192del, A77D, and G80S). FPN1 polymorphisms also represent the gene variants most commonly responsible for hyperferritinemia in Africans. Differential diagnosis includes mainly hereditary hemochromatosis, the syndrome commonly due to either HFE or TfR2, HJV, HAMP, and, in rare instances, FPN1 itself. Here, unlike FD, hyperferritinemia associates with high transferrin saturation, iron-spared macrophages, and progressive parenchymal cell iron load. Abdominal magnetic resonance imaging (MRI), the key non-invasive diagnostic tool for the diagnosis of FD, shows the characteristic iron loading SSL triad (spleen, spine and liver). A non-aggressive phlebotomy regimen is recommended, with careful monitoring of transferrin saturation and hemoglobin due to the risk of anemia. Family screening is mandatory since siblings and offspring have a 50% chance of carrying the pathogenic mutation. PMID:29101207

Interactions of information transfer along separable causal paths

NASA Astrophysics Data System (ADS)

Jiang, Peishi; Kumar, Praveen

2018-04-01

Complex systems arise as a result of interdependences between multiple variables, whose causal interactions can be visualized in a time-series graph. Transfer entropy and information partitioning approaches have been used to characterize such dependences. However, these approaches capture net information transfer occurring through a multitude of pathways involved in the interaction and as a result mask our ability to discern the causal interaction within a subgraph of interest through specific pathways. We build on recent developments of momentary information transfer along causal paths proposed by Runge [Phys. Rev. E 92, 062829 (2015), 10.1103/PhysRevE.92.062829] to develop a framework for quantifying information partitioning along separable causal paths. Momentary information transfer along causal paths captures the amount of information transfer between any two variables lagged at two specific points in time. Our approach expands this concept to characterize the causal interaction in terms of synergistic, unique, and redundant information transfer through separable causal paths. Through a graphical model, we analyze the impact of the separable and nonseparable causal paths and the causality structure embedded in the graph as well as the noise effect on information partitioning by using synthetic data generated from two coupled logistic equation models. Our approach can provide a valuable reference for an autonomous information partitioning along separable causal paths which form a causal subgraph influencing a target.

Transition-density-fragment interaction combined with transfer integral approach for excitation-energy transfer via charge-transfer states

NASA Astrophysics Data System (ADS)

Fujimoto, Kazuhiro J.

2012-07-01

A transition-density-fragment interaction (TDFI) combined with a transfer integral (TI) method is proposed. The TDFI method was previously developed for describing electronic Coulomb interaction, which was applied to excitation-energy transfer (EET) [K. J. Fujimoto and S. Hayashi, J. Am. Chem. Soc. 131, 14152 (2009)] and exciton-coupled circular dichroism spectra [K. J. Fujimoto, J. Chem. Phys. 133, 124101 (2010)]. In the present study, the TDFI method is extended to the exchange interaction, and hence it is combined with the TI method for applying to the EET via charge-transfer (CT) states. In this scheme, the overlap correction is also taken into account. To check the TDFI-TI accuracy, several test calculations are performed to an ethylene dimer. As a result, the TDFI-TI method gives a much improved description of the electronic coupling, compared with the previous TDFI method. Based on the successful description of the electronic coupling, the decomposition analysis is also performed with the TDFI-TI method. The present analysis clearly shows a large contribution from the Coulomb interaction in most of the cases, and a significant influence of the CT states at the small separation. In addition, the exchange interaction is found to be small in this system. The present approach is useful for analyzing and understanding the mechanism of EET.

Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions.

PubMed

Kang, Yu; Gohlke, Ulrich; Engström, Olof; Hamark, Christoffer; Scheidt, Tom; Kunstmann, Sonja; Heinemann, Udo; Widmalm, Göran; Santer, Mark; Barbirz, Stefanie

2016-07-27

Understanding interactions of bacterial surface polysaccharides with receptor protein scaffolds is important for the development of antibiotic therapies. The corresponding protein recognition domains frequently form low-affinity complexes with polysaccharides that are difficult to address with experimental techniques due to the conformational flexibility of the polysaccharide. In this work, we studied the tailspike protein (TSP) of the bacteriophage Sf6. Sf6TSP binds and hydrolyzes the high-rhamnose, serotype Y O-antigen polysaccharide of the Gram-negative bacterium Shigella flexneri (S. flexneri) as a first step of bacteriophage infection. Spectroscopic analyses and enzymatic cleavage assays confirmed that Sf6TSP binds long stretches of this polysaccharide. Crystal structure analysis and saturation transfer difference (STD) NMR spectroscopy using an enhanced method to interpret the data permitted the detailed description of affinity contributions and flexibility in an Sf6TSP-octasaccharide complex. Dodecasaccharide fragments corresponding to three repeating units of the O-antigen in complex with Sf6TSP were studied computationally by molecular dynamics simulations. They showed that distortion away from the low-energy solution conformation found in the octasaccharide complex is necessary for ligand binding. This is in agreement with a weak-affinity functional polysaccharide-protein contact that facilitates correct placement and thus hydrolysis of the polysaccharide close to the catalytic residues. Our simulations stress that the flexibility of glycan epitopes together with a small number of specific protein contacts provide the driving force for Sf6TSP-polysaccharide complex formation in an overall weak-affinity interaction system.

Making Projects, Making Friends: Online Community as Catalyst for Interactive Media Creation

ERIC Educational Resources Information Center

Brennan, Karen; Monroy-Hernandez, Andres; Resnick, Mitchel

2010-01-01

To become full and active participants in today's technologically saturated society, young people need to become creators (and not just consumers) of interactive media. Developing the requisite abilities and capacities is not a wholly individual process; it is important for young people to have access to communities where they can collaborate and…

Transitioning Transfer Students: Interactive Factors that Influence First-Year Retention

ERIC Educational Resources Information Center

Luo, Mingchu; Williams, James E.; Vieweg, Bruce

2007-01-01

This study examined the diverse patterns of interactive factors that influence transfer students' first-year retention at a midsize four-year university. The population for this study consisted of five cohorts totaling 1,713 full-time, degree-seeking transfer students. Sequential sets of logistic regression analyses on blocks of variables were…

Soil Texture and Cultivar Effects on Rice (Oryza sativa, L.) Grain Yield, Yield Components and Water Productivity in Three Water Regimes.

PubMed

Dou, Fugen; Soriano, Junel; Tabien, Rodante E; Chen, Kun

2016-01-01

The objective of this study was to determine the effects of water regime/soil condition (continuous flooding, saturated, and aerobic), cultivar ('Cocodrie' and 'Rondo'), and soil texture (clay and sandy loam) on rice grain yield, yield components and water productivity using a greenhouse trial. Rice grain yield was significantly affected by soil texture and the interaction between water regime and cultivar. Significantly higher yield was obtained in continuous flooding than in aerobic and saturated soil conditions but the latter treatments were comparable to each other. For Rondo, its grain yield has decreased with soil water regimes in the order of continuous flooding, saturated and aerobic treatments. The rice grain yield in clay soil was 46% higher than in sandy loam soil averaged across cultivar and water regime. Compared to aerobic condition, saturated and continuous flooding treatments had greater panicle numbers. In addition, panicle number in clay soil was 25% higher than in sandy loam soil. The spikelet number of Cocodrie was 29% greater than that of Rondo, indicating that rice cultivar had greater effect on spikelet number than soil type and water management. Water productivity was significantly affected by the interaction of water regime and cultivar. Compared to sandy loam soil, clay soil was 25% higher in water productivity. Our results indicated that cultivar selection and soil texture are important factors in deciding what water management option to practice.

Paradoxes of thermodynamics of swelling equilibria of polymers in liquids and vapors.

PubMed

Davankov, Vadim A; Pastukhov, Alexander V

2011-12-29

An automatic registration of the changing size of a single spherical microbead of a cross-linked polymer was applied for studying the swelling process of the bead by the sorption of vapors and/or liquids. Many representatives of all three basic types of polymeric networks, gel-type, hypercrosslinked, and macroporous, were examined. Only the first two display large volume changes and prove suitable for following the kinetics and extent of swelling by the above dilatometric technique. The results unambiguously prove that swelling of all polymeric networks in liquids is always higher than in corresponding saturated vapors (Schroeder's paradox). The general nature of this phenomenon implies that the absolute activity of any sorbate in its liquid form is always larger than in the form of its saturated vapor. Surprisingly, gels with any solvent contents, which fall into the broad range between the vapor-equilibrated and liquid-equilibrated extreme contents, retain their volumes constant in the saturated vapor atmosphere. This paradox of a wide range of gels swollen to a different extent and, nevertheless, standing in equilibrium with saturated vapor is explained by the specificity of the network polymers, namely, that the energy of the solvent-polymer interactions is easily compensated by the energy of remaining between-chain interactions at any solvent content in the above range. Therefore, the strain-free swollen gels do not generate enhanced vapor pressure, but neither display the ability to take up more sorbate from its vapor. © 2011 American Chemical Society

Allosteric control of internal electron transfer in cytochrome cd1 nitrite reductase

PubMed Central

Farver, Ole; Kroneck, Peter M. H.; Zumft, Walter G.; Pecht, Israel

2003-01-01

Cytochrome cd1 nitrite reductase is a bifunctional multiheme enzyme catalyzing the one-electron reduction of nitrite to nitric oxide and the four-electron reduction of dioxygen to water. Kinetics and thermodynamics of the internal electron transfer process in the Pseudomonas stutzeri enzyme have been studied and found to be dominated by pronounced interactions between the c and the d1 hemes. The interactions are expressed both in dramatic changes in the internal electron-transfer rates between these sites and in marked cooperativity in their electron affinity. The results constitute a prime example of intraprotein control of the electron-transfer rates by allosteric interactions. PMID:12802018

Influence of the membrane environment on cholesterol transfer.

PubMed

Breidigan, Jeffrey Michael; Krzyzanowski, Natalie; Liu, Yangmingyue; Porcar, Lionel; Perez-Salas, Ursula

2017-12-01

Cholesterol, an essential component in biological membranes, is highly unevenly distributed within the cell, with most localized in the plasma membrane while only a small fraction is found in the endoplasmic reticulum, where it is synthesized. Cellular membranes differ in lipid composition and protein content, and these differences can exist across their leaflets too. This thermodynamic landscape that cellular membranes impose on cholesterol is expected to modulate its transport. To uncover the role the membrane environment has on cholesterol inter- and intra-membrane movement, we used time-resolved small angle neutron scattering to study the passive movement of cholesterol between and within membranes with varying degrees of saturation content. We found that cholesterol moves systematically slower as the degree of saturation in the membranes increases, from a palmitoyl oleyl phosphotidylcholine membrane, which is unsaturated, to a dipalmitoylphosphatidylcholine (DPPC) membrane, which is fully saturated. Additionally, we found that the energetic barrier to move cholesterol in these phosphatidylcholine membranes is independent of their relative lipid composition and remains constant for both flip-flop and exchange at ∼100 kJ/mol. Further, by replacing DPPC with the saturated lipid palmitoylsphingomyelin, an abundant saturated lipid of the outer leaflet of the plasma membrane, we found the rates decreased by a factor of two. This finding is in stark contrast with recent molecular dynamic simulations that predict a dramatic slow-down of seven orders of magnitude for cholesterol flipping in membranes with a similar phosphocholine and SM lipid composition. Copyright © 2017 by the American Society for Biochemistry and Molecular Biology, Inc.

The effect of nail polish and acrylic nails on pulse oximetry reading using the Lifebox oximeter in Nigeria.

PubMed

Desalu, I; Diakparomre, O I; Salami, A O; Abiola, A O

2013-12-01

AIMS AND OBJECTIVES - Pulse oximetry is mandatory during anaesthesia, sedation and transfer of critically ill patients. The effect of nail polish and acrylic nails on the accuracy of saturation reading is inconsistent. The Lifebox pulse oximeter is reliable and recommended for low and middle income countries. We investigated its accuracy in the presence of 4 nail colours and acrylic nails SUBJECTS AND METHODS Fifty non-smoking volunteers had their fingers numbered from right to left (little finger of right hand =1 and little finger of left hand =10). Alternate fingers were nails painted with clear, red, brown and black nail polish and the 5th finger had acrylic nail applied. The corresponding finger on the other hand acted as control. The oxygen saturation was determined using the Lifebox pulse oximeter. Results All fingers (100%) with clear nail polish, red nail polish and acrylic nails recorded a saturation value. Each of the mean saturation value for clear nail polish, red nail polish and acrylic nails was not significantly different from the control mean (p= 0.378, 0.427 and 0.921). Only 12% and 64% of nails polished black and brown respectively recorded a saturation value. The mean SpO- for black and brown polish were significantly different from their control mean (p<0.001). CONCLUSION Black and brown polish resulted in a significant decrease in SpO with the Lifebox oximeter. Dark coloured nail polish should be removed prior to SpO2 determination to ensure that accurate readings can be obtained.

Nanosecond nonlinear optical and optical limiting properties of hollow gold nanocages

NASA Astrophysics Data System (ADS)

Zheng, Chan; Huang, Jiaxin; Lei, Li; Chen, Wenzhe; Wang, Haiyan; Li, Wei

2018-01-01

Gold nanocages (NCs) were prepared using the galvanic replacement reaction. Transmission electron microscopy images confirmed the porous morphology and completely hollow interior of the gold NCs. The nanosecond nonlinear optical and optical limiting (OL) properties of the NCs were characterized using the open-aperture Z-scan technique with 8-ns laser pulses at 532 nm. The gold NCs exhibited intensity-dependent transformation from saturable absorption to reverse-saturable absorption. The nonlinear absorption coefficient and saturable energy of the NCs were 5 × 10- 12 m/W and 2.5 × 1010 W/m2, respectively. Meanwhile, the gold NCs were found to display strong OL properties towards nanosecond laser pulses. The OL threshold of the gold NCs was lower than that of solid gold nanoparticles and comparable with that of a carbon nanotube suspension. Input fluence and angle-dependent scattering measurements indicated that nonlinear scattering plays an important role in the OL behavior of the gold nanostructures at high laser excitation. The improved OL response in gold NCs was discussed from the viewpoint of structural characteristic. The ultrathin and highly porous walls of the gold NCs can effectively transfer the photon-induced heat to the surrounding solvent, resulting in enhanced OL properties compared with those of solid gold nanoparticles. The intensity-dependent transformation from saturable absorption to reverse-saturable absorption and excellent OL response indicate that the smart gold NCs with ultrathin and highly porous walls can be considered as potential candidate in pulse shaping, passive mode locking, and eye protection against powerful lasers.

Explicit use of the Biot coefficient in predicting shear-wave velocity of water-saturated sediments

USGS Publications Warehouse

Lee, M.W.

2006-01-01

Predicting the shear-wave (S-wave) velocity is important in seismic modelling, amplitude analysis with offset, and other exploration and engineering applications. Under the low-frequency approximation, the classical Biot-Gassmann theory relates the Biot coefficient to the bulk modulus of water-saturated sediments. If the Biot coefficient under in situ conditions can be estimated, the shear modulus or the S-wave velocity can be calculated. The Biot coefficient derived from the compressional-wave (P-wave) velocity of water-saturated sediments often differs from and is less than that estimated from the S-wave velocity, owing to the interactions between the pore fluid and the grain contacts. By correcting the Biot coefficients derived from P-wave velocities of water-saturated sediments measured at various differential pressures, an accurate method of predicting S-wave velocities is proposed. Numerical results indicate that the predicted S-wave velocities for consolidated and unconsolidated sediments agreewell with measured velocities. ?? 2006 European Association of Geoscientists & Engineers.

Integrated analysis of energy transfers in elastic-wave turbulence.

PubMed

Yokoyama, Naoto; Takaoka, Masanori

2017-08-01

In elastic-wave turbulence, strong turbulence appears in small wave numbers while weak turbulence does in large wave numbers. Energy transfers in the coexistence of these turbulent states are numerically investigated in both the Fourier space and the real space. An analytical expression of a detailed energy balance reveals from which mode to which mode energy is transferred in the triad interaction. Stretching energy excited by external force is transferred nonlocally and intermittently to large wave numbers as the kinetic energy in the strong turbulence. In the weak turbulence, the resonant interactions according to the weak turbulence theory produce cascading net energy transfer to large wave numbers. Because the system's nonlinearity shows strong temporal intermittency, the energy transfers are investigated at active and moderate phases separately. The nonlocal interactions in the Fourier space are characterized by the intermittent bundles of fibrous structures in the real space.

Three-dimensional tertiary structure of yeast phenylalanine transfer RNA

NASA Technical Reports Server (NTRS)

Kim, S. H.; Sussman, J. L.; Suddath, F. L.; Quigley, G. J.; Mcpherson, A.; Wang, A. H. J.; Seeman, N. C.; Rich, A.

1974-01-01

Results of an analysis and interpretation of a 3-A electron density map of yeast phenylalanine transfer RNA. Some earlier detailed assignments of nucleotide residues to electron density peaks are found to be in error, even though the overall tracing of the backbone conformation of yeast phenylalanine transfer RNA was generally correct. A new, more comprehensive interpretation is made which makes it possible to define the tertiary interactions in the molecule. The new interpretation makes it possible to visualize a number of tertiary interactions which not only explain the structural role of most of the bases which are constant in transfer RNAs, but also makes it possible to understand in a direct and simple fashion the chemical modification data on transfer RNA. In addition, this pattern of tertiary interactions provides a basis for understanding the general three-dimensional folding of all transfer RNA molecules.

Viscosity induced emission of red-emitting NLOphoric coumarin morpholine-thiazole hybrid styryl dyes as FMRs: Consolidated experimental and theoretical approach

NASA Astrophysics Data System (ADS)

Avhad, Kiran C.; Patil, Dinesh S.; Chitrambalam, S.; Sreenath, M. C.; Joe, I. Hubert; Sekar, Nagaiyan

2018-05-01

Four new coumarin hybrid styryl dyes are synthesized by condensing 4-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-morpholinothiazole-5-carbaldehyde with dicyanovinylene containing active methylene intermediates and their linear and non-linear optical properties are studied. The dye having dicyanovinylene-isophorone acceptor displayed a large Stokes shift of 3702-4795 cm-1 in non-polar to polar solvent respectively. The dyes exhibit a good charge transfer characteristics and positive emission solvatochromism (∼50 nm-72 nm) in non-polar to a polar solvent which is well supported by multi-linear regression analysis. Viscosity induced enhancement study in ethanol/polyethylene glycol-400 system shows 2.71-6.78 fold increase in emission intensity. The intra and twisted-intramolecular charge transfer (ICT-TICT) characteristics were established using emission solvatochromism, polarity plots, generalised Mullikan-Hush (GMH) analysis and optimized geometry. A dye having the highest charge transfer dipole moment relatively possess the maximum two-photon absorption cross-section area (KK-1 = 165-207 GM) which was established using theoretical two-level model. The NLO properties have been investigated employing solvatochromic and computational methods and were found to be directly proportional to the polarity of the solvent. Z-scan results reveal that the dyes KK-1 and KK-2 possesses reverse saturable kind of behaviour whereas KK-3 and KK-4 show saturable kind of behaviour. From the experimental and theoretical data, these coumarin thiazole hybrid dyes can be considered as promising candidates for FMR and NLOphores.

Evolution via recombination: Cell-to-cell contact facilitates larger recombination events in Streptococcus pneumoniae.

PubMed

Cowley, Lauren A; Petersen, Fernanda C; Junges, Roger; Jimson D Jimenez, Med; Morrison, Donald A; Hanage, William P

2018-06-01

Homologous recombination in the genetic transformation model organism Streptococcus pneumoniae is thought to be important in the adaptation and evolution of this pathogen. While competent pneumococci are able to scavenge DNA added to laboratory cultures, large-scale transfers of multiple kb are rare under these conditions. We used whole genome sequencing (WGS) to map transfers in recombinants arising from contact of competent cells with non-competent 'target' cells, using strains with known genomes, distinguished by a total of ~16,000 SNPs. Experiments designed to explore the effect of environment on large scale recombination events used saturating purified donor DNA, short-term cell assemblages on Millipore filters, and mature biofilm mixed cultures. WGS of 22 recombinants for each environment mapped all SNPs that were identical between the recombinant and the donor but not the recipient. The mean recombination event size was found to be significantly larger in cell-to-cell contact cultures (4051 bp in filter assemblage and 3938 bp in biofilm co-culture versus 1815 bp with saturating DNA). Up to 5.8% of the genome was transferred, through 20 recombination events, to a single recipient, with the largest single event incorporating 29,971 bp. We also found that some recombination events are clustered, that these clusters are more likely to occur in cell-to-cell contact environments, and that they cause significantly increased linkage of genes as far apart as 60,000 bp. We conclude that pneumococcal evolution through homologous recombination is more likely to occur on a larger scale in environments that permit cell-to-cell contact.

Using new luminescence methods to date the Palaeolithic: the example of Kalambo Falls

NASA Astrophysics Data System (ADS)

Duller, Geoff; Tooth, Stephen; Barham, Larry

2013-04-01

The Palaeolithic site of Kalambo Falls in the north of Zambia was the subject of detailed study by J.D. Clark in the 1950s with 4 excavations being located within 1 km of each other in a basin upstream of the falls. A rich palaeolithic tool record was recovered, but the value of this record was limited by the lack of chronological information available. In 2006, one of the excavation sites was re-investigated (Barham et al., 2009), including examination of the stratigraphic context and collection of samples for luminescence dating. Many of the sediments in the Kalambo basin were deposited by fluvial activity. Dose distributions in the single grain quartz optically stimulated luminescence (OSL) measurements of the youngest sediments are consistent with incomplete bleaching. However, the residual doses obtained are typically less than 10 Gy, and so for older sediments the impact of incomplete bleaching becomes insignificant. The oldest samples are affected by a different problem, namely saturation of the OSL signal, and many grains are saturated. However in all cases some grains give finite equivalent dose values, making it feasible to calculate single grain quartz OSL ages, but it is difficult to assess whether these ages are reliable or not. Thermally transferred OSL (TT-OSL) from quartz is able to date much older samples due to the high saturation dose of this signal (Duller and Wintle, 2012). Comparison of the TT-OSL and OSL demonstrates that the OSL signal yields age underestimates as samples near saturation. Only by using the two luminescence methods is it possible to create an absolute chronology for this key site stretching back over half a million years. This study demonstrates the potential of using these two luminescence signals together for dating Palaeolithic sites throughout Africa and beyond. Barham, L., Duller, G. A. T., Plater, A. J., Tooth, S. and Turner, S. (2009). Recent excavations at Kalambo Falls, Zambia. Antiquity 83(322). Duller, G. A. T. and Wintle, A. G. (2012). The potential of the thermally transferred optically stimulated luminescence signal from quartz for dating sediments. Quaternary Geochronology 7: 6-20.

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).

Causal transfer function analysis to describe closed loop interactions between cardiovascular and cardiorespiratory variability signals.

PubMed

Faes, L; Porta, A; Cucino, R; Cerutti, S; Antolini, R; Nollo, G

2004-06-01

Although the concept of transfer function is intrinsically related to an input-output relationship, the traditional and widely used estimation method merges both feedback and feedforward interactions between the two analyzed signals. This limitation may endanger the reliability of transfer function analysis in biological systems characterized by closed loop interactions. In this study, a method for estimating the transfer function between closed loop interacting signals was proposed and validated in the field of cardiovascular and cardiorespiratory variability. The two analyzed signals x and y were described by a bivariate autoregressive model, and the causal transfer function from x to y was estimated after imposing causality by setting to zero the model coefficients representative of the reverse effects from y to x. The method was tested in simulations reproducing linear open and closed loop interactions, showing a better adherence of the causal transfer function to the theoretical curves with respect to the traditional approach in presence of non-negligible reverse effects. It was then applied in ten healthy young subjects to characterize the transfer functions from respiration to heart period (RR interval) and to systolic arterial pressure (SAP), and from SAP to RR interval. In the first two cases, the causal and non-causal transfer function estimates were comparable, indicating that respiration, acting as exogenous signal, sets an open loop relationship upon SAP and RR interval. On the contrary, causal and traditional transfer functions from SAP to RR were significantly different, suggesting the presence of a considerable influence on the opposite causal direction. Thus, the proposed causal approach seems to be appropriate for the estimation of parameters, like the gain and the phase lag from SAP to RR interval, which have a large clinical and physiological relevance.

Nitrate Utilization by the Diatom Skeletonema costatum

PubMed Central

Serra, Juan L.; Llama, Maria J.; Cadenas, Eduardo

1978-01-01

Nitrate uptake has been studied in nitrogen-deficient cells of the marine diatom Skeletonema costatum. When these cells are incubated in the presence of nitrate, this ion is quickly taken up from the medium, and nitrite is excreted by the cells. Nitrite is excreted following classical saturation kinetics, its rate being independent of nitrate concentration in the incubation medium for nitrate concentration values higher than 3 micromolar. Nitrate uptake shows mixed-transfer kinetics, which can be attributed to the simultaneous contributions of mediated and diffusion transfer. Cycloheximide and p-hydroxymercuribenzoate inhibit the carrier-mediated contribution to nitrate uptake, without affecting the diffusion component. When cells are preincubated with nitrate, the net nitrogen uptake is increased. PMID:16660652

Dynamic entanglement transfer in a double-cavity optomechanical system

NASA Astrophysics Data System (ADS)

Huan, Tiantian; Zhou, Rigui; Ian, Hou

2015-08-01

We give a theoretical study of a double-cavity system in which a mechanical resonator beam is coupled to two cavity modes on both sides through radiation pressures. The indirect coupling between the cavities via the resonator sets up a correlation in the optomechanical entanglements between the two cavities with the common resonator. This correlation initiates an entanglement transfer from the intracavity photon-phonon entanglements to an intercavity photon-photon entanglement. Using numerical solutions, we show two distinct regimes of the optomechanical system, in which the indirect entanglement either builds up and eventually saturates or undergoes a death-and-revival cycle, after a time lapse for initiating the cooperative motion of the left and right cavity modes.

2012 Gordon Research Conference, Electron donor-acceptor interactions, August 5-10 2012

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

McCusker, James

The upcoming incarnation of the Gordon Research Conference on Electron Donor Acceptor Interactions will feature sessions on classic topics including proton-coupled electron transfer, dye-sensitized solar cells, and biological electron transfer, as well as emerging areas such as quantum coherence effects in donor-acceptor interactions, spintronics, and the application of donor-acceptor interactions in chemical synthesis.

Protein-membrane interaction and fatty acid transfer from intestinal fatty acid-binding protein to membranes. Support for a multistep process.

PubMed

Falomir-Lockhart, Lisandro J; Laborde, Lisandro; Kahn, Peter C; Storch, Judith; Córsico, Betina

2006-05-19

Fatty acid transfer from intestinal fatty acid-binding protein (IFABP) to phospholipid membranes occurs during protein-membrane collisions. Electrostatic interactions involving the alpha-helical "portal" region of the protein have been shown to be of great importance. In the present study, the role of specific lysine residues in the alpha-helical region of IFABP was directly examined. A series of point mutants in rat IFABP was engineered in which the lysine positive charges in this domain were eliminated or reversed. Using a fluorescence resonance energy transfer assay, we analyzed the rates and mechanism of fatty acid transfer from wild type and mutant proteins to acceptor membranes. Most of the alpha-helical domain mutants showed slower absolute fatty acid transfer rates to zwitterionic membranes, with substitution of one of the lysines of the alpha2 helix, Lys27, resulting in a particularly dramatic decrease in the fatty acid transfer rate. Sensitivity to negatively charged phospholipid membranes was also reduced, with charge reversal mutants in the alpha2 helix the most affected. The results support the hypothesis that the portal region undergoes a conformational change during protein-membrane interaction, which leads to release of the bound fatty acid to the membrane and that the alpha2 segment is of particular importance in the establishment of charge-charge interactions between IFABP and membranes. Cross-linking experiments with a phospholipid-photoactivable reagent underscored the importance of charge-charge interactions, showing that the physical interaction between wild-type intestinal fatty acid-binding protein and phospholipid membranes is enhanced by electrostatic interactions. Protein-membrane interactions were also found to be enhanced by the presence of ligand, suggesting different collisional complex structures for holo- and apo-IFABP.

Two-dimensional silica opens new perspectives

NASA Astrophysics Data System (ADS)

Büchner, Christin; Heyde, Markus

2017-12-01

In recent years, silica films have emerged as a novel class of two-dimensional (2D) materials. Several groups succeeded in epitaxial growth of ultrathin SiO2 layers using different growth methods and various substrates. The structures consist of tetrahedral [SiO4] building blocks in two mirror symmetrical planes, connected via oxygen bridges. This arrangement is called a silica bilayer as it is the thinnest 2D arrangement with the stoichiometry SiO2 known today. With all bonds saturated within the nano-sheet, the interaction with the substrate is based on van der Waals forces. Complex ring networks are observed, including hexagonal honeycomb lattices, point defects and domain boundaries, as well as amorphous domains. The network structures are highly tuneable through variation of the substrate, deposition parameters, cooling procedure, introducing dopants or intercalating small species. The amorphous networks and structural defects were resolved with atomic resolution microscopy and modeled with density functional theory and molecular dynamics. Such data contribute to our understanding of the formation and characteristic motifs of glassy systems. Growth studies and doping with other chemical elements reveal ways to tune ring sizes and defects as well as chemical reactivities. The pristine films have been utilized as molecular sieves and for confining molecules in nanocatalysis. Post growth hydroxylation can be used to tweak the reactivity as well. The electronic properties of silica bilayers are favourable for using silica as insulators in 2D material stacks. Due to the fully saturated atomic structure, the bilayer interacts weakly with the substrate and can be described as quasi-freestanding. Recently, a mm-scale film transfer under structure retention has been demonstrated. The chemical and mechanical stability of silica bilayers is very promising for technological applications in 2D heterostacks. Due to the impact of this bilayer system for glass science, catalysis and the field of 2D materials, a large number of theoretical and experimental studies on silica bilayers have been reported in the last years. This review aims to provide an overview on the insights gained on this material and to point out opportunities for further discovery in various fields.

Magnetization hysteresis electron paramagnetic resonance. A new null phase insensitive saturation transfer EPR technique with high sensitivity to slow motion.

PubMed Central

Vistnes, A I

1983-01-01

In electron paramagnetic resonance (EPR) nonlinear phenomena with respect to magnetic-field modulation are often studied by out-of-phase spectra recordings. The existence of a nonzero out-of-phase signal implies that the EPR signal is phase shifted relative to the modulation signal. This phase shift is called a magnetization hysteresis. The hysteresis angle varies during a sweep through the resonance conditions for a free radical. By recording this variation, a magnetization hysteresis (MH) spectrum results. In practice, a MH spectrum is computer calculated from two EPR spectra detected with a 90 degree difference in phase setting. There is no need for a careful null-phase calibration like that in traditional analysis of nonlinearities. The MH spectra calculated from second harmonic EPR spectra of spin labels were highly dependent on the rotational correlation time. The technique can therefore be used to study slow molecular motion. In the present work MH spectra and Hemminga and deJager's magnitude saturation transfer EPR spectra (Hemminga, M. A., and P. A. deJager, 1981, J. Magn. Reson., 43:324-327) have been analyzed to define parameters that can describe variations in the rotational correlation time. A novel modification of the sample holder and temperature regulation equipment is described. PMID:6309263

A simple technique for continuous measurement of time-variable gas transfer in surface waters

USGS Publications Warehouse

Tobias, Craig R.; Bohlke, John Karl; Harvey, Judson W.; Busenberg, Eurybiades

2009-01-01

Mass balance models of dissolved gases in streams, lakes, and rivers serve as the basis for estimating wholeecosystem rates for various biogeochemical processes. Rates of gas exchange between water and the atmosphere are important and error-prone components of these models. Here we present a simple and efficient modification of the SF6 gas tracer approach that can be used concurrently while collecting other dissolved gas samples for dissolved gas mass balance studies in streams. It consists of continuously metering SF6-saturated water directly into the stream at a low rate of flow. This approach has advantages over pulse injection of aqueous solutions or bubbling large amounts of SF6 into the stream. By adding the SF6 as a saturated solution, we minimize the possibility that other dissolved gas measurements are affected by sparging and/or bubble injecta. Because the SF6 is added continuously we have a record of changing gas transfer velocity (GTV) that is contemporaneous with the sampling of other nonconservative ambient dissolved gases. Over a single diel period, a 30% variation in GTV was observed in a second-order stream (Sugar Creek, Indiana, USA). The changing GTV could be attributed in part to changes in temperature and windspeed that occurred on hourly to diel timescales.

Lactate Chemical Exchange Saturation Transfer (LATEST) Imaging in vivo A Biomarker for LDH Activity.

PubMed

DeBrosse, Catherine; Nanga, Ravi Prakash Reddy; Bagga, Puneet; Nath, Kavindra; Haris, Mohammad; Marincola, Francesco; Schnall, Mitchell D; Hariharan, Hari; Reddy, Ravinder

2016-01-22

Non-invasive imaging of lactate is of enormous significance in cancer and metabolic disorders where glycolysis dominates. Here, for the first time, we describe a chemical exchange saturation transfer (CEST) magnetic resonance imaging (MRI) method (LATEST), based on the exchange between lactate hydroxyl proton and bulk water protons to image lactate with high spatial resolution. We demonstrate the feasibility of imaging lactate with LATEST in lactate phantoms under physiological conditions, in a mouse model of lymphoma tumors, and in skeletal muscle of healthy human subjects pre- and post-exercise. The method is validated by measuring LATEST changes in lymphoma tumors pre- and post-infusion of pyruvate and correlating them with lactate determined from multiple quantum filtered proton magnetic resonance spectroscopy (SEL-MQC (1)H-MRS). Similarly, dynamic LATEST changes in exercising human skeletal muscle are correlated with lactate determined from SEL-MQC (1)H-MRS. The LATEST method does not involve injection of radioactive isotopes or labeled metabolites. It has over two orders of magnitude higher sensitivity compared to conventional (1)H-MRS. It is anticipated that this technique will have a wide range of applications including diagnosis and evaluation of therapeutic response of cancer, diabetes, cardiac, and musculoskeletal diseases. The advantages of LATEST over existing methods and its potential challenges are discussed.

Lactate Chemical Exchange Saturation Transfer (LATEST) Imaging in vivo A Biomarker for LDH Activity

PubMed Central

DeBrosse, Catherine; Nanga, Ravi Prakash Reddy; Bagga, Puneet; Nath, Kavindra; Haris, Mohammad; Marincola, Francesco; Schnall, Mitchell D.; Hariharan, Hari; Reddy, Ravinder

2016-01-01

Non-invasive imaging of lactate is of enormous significance in cancer and metabolic disorders where glycolysis dominates. Here, for the first time, we describe a chemical exchange saturation transfer (CEST) magnetic resonance imaging (MRI) method (LATEST), based on the exchange between lactate hydroxyl proton and bulk water protons to image lactate with high spatial resolution. We demonstrate the feasibility of imaging lactate with LATEST in lactate phantoms under physiological conditions, in a mouse model of lymphoma tumors, and in skeletal muscle of healthy human subjects pre- and post-exercise. The method is validated by measuring LATEST changes in lymphoma tumors pre- and post-infusion of pyruvate and correlating them with lactate determined from multiple quantum filtered proton magnetic resonance spectroscopy (SEL-MQC 1H-MRS). Similarly, dynamic LATEST changes in exercising human skeletal muscle are correlated with lactate determined from SEL-MQC 1H-MRS. The LATEST method does not involve injection of radioactive isotopes or labeled metabolites. It has over two orders of magnitude higher sensitivity compared to conventional 1H-MRS. It is anticipated that this technique will have a wide range of applications including diagnosis and evaluation of therapeutic response of cancer, diabetes, cardiac, and musculoskeletal diseases. The advantages of LATEST over existing methods and its potential challenges are discussed. PMID:26794265

Cadmium-free quantum dot light emitting devices: energy-transfer realizing pure blue emission.

PubMed

Ji, Wenyu; Jing, Pengtao; Fan, Yi; Zhao, Jialong; Wang, Yunjun; Kong, Xianggui

2013-01-01

In this study, deep blue, pure electroluminescence (EL) at 441.5 nm from a ZnSe/ZnS quantum dot light-emitting device (QD-LED) is obtained by using poly (4-butylphenyl-diphenyl-amine) (poly-TPD) as the hole-transport layer (HTL) to open up the channel for energy transfer from poly-TPD to QDs. The emission originating from HTL is observed in the QD-LED with N,N'-bis (tolyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine functionalized with two styryl groups (2-TPD) as the HTL due to inefficient energy-transfer from 2-TPD to QDs. The poly-TPD based device exhibits color-saturated blue emission with a narrow spectral bandwidth of full width at half maximum (~17.2 nm). These results explore the operating mechanism of the QD EL and signify a remarkable progress in deep blue QD-LEDs based on environmental-friendly QD materials.

Viscous dissipation effects on MHD slip flow and heat transfer in porous micro duct with LTNE assumptions using modified lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Rabhi, R.; Amami, B.; Dhahri, H.; Mhimid, A.

2017-11-01

This paper deals with heat transfer and fluid flow in a porous micro duct under local thermal non equilibrium conditions subjected to an external oriented magnetic field. The considered sample is a micro duct filled with porous media assumed to be homogenous, isotropic and saturated. The slip velocity and the temperature jump were uniformly imposed to the wall. In modeling the flow, the Brinkmann-Forchheimer extended Darcy model was incorporated into the momentum equations. In the energy equation, the local thermal non equilibrium between the two phases was adopted. A modified axisymmetric lattice Boltzmann method was used to solve the obtained governing equation system. Attention was focused on the influence of the emerging parameters such as Knudsen number, Kn, Hartmann number, Ha, Eckert number, Ec, Biot number, Bi and the magnetic field inclination γ on flow and heat transfer throughout this paper.

Optical phase conjugation by four-wave mixing in Nd:YAG laser oscillator for optical energy transfer to a remote target

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

Kawakami, K., E-mail: k.kawakami@al.t.u-tokyo.ac.jp; Komurasaki, K.; Okamura, H.

2015-02-28

A self-starting phase conjugator was designed for optical energy transfer to a remote target. Saturable-gain four-wave mixing in a laser resonator was achieved using a flash-lamp pumped Nd:YAG crystal and phase-conjugate light (PCL) generation were verified. Wavefront correction experimentation revealed that beam wander caused by air turbulence is compensated. Tracking capability was demonstrated in the range of 9 mrad with tracking accuracy of ±0.04 mrad. The maximum field of view was measured to be 4.7°. Dependence of phase-conjugate light energy on reference light energy was investigated. The maximum output of 320 mJ was obtained. The temporal behavior of PCL ismore » discussed based on the four-wave mixing mechanism. Unlike a conventional loop resonator type phase conjugator, this system is applicable for wireless energy transfer to a remote target.« less

[Design and Implementation of a Novel Networked Sleep Monitoring System].

PubMed

Tian, Yu; Yan, Zhuangzhi; Tao, Jia'an

2015-03-01

To meet the need of cost-effective multi-biosignal monitoring devices nowadays, we designed a system based on super low power MCU. It can collect, record and transfer several signals including ECG, Oxygen saturation, thoracic and abdominal wall expansion, oronasal airflow signal. The data files can be stored on a flash chip and transferred to a computer by a USB module. In addition, the sensing data can be sent wirelessly in real time. Considering that long term work of wireless module consumes much energy, we present a low-power optimization method based on delay constraint. Lower energy consumption comes at the cost of little delay. Experimental results show that it can effectively decrease the energy consumption without changing wireless module and transfer protocol. Besides, our system is powered by two dry batteries and can work at least 8 hours throughout a whole night.

Stress and temperature distributions of individual particles in a shock wave propagating through dry and wet sand mixtures

NASA Astrophysics Data System (ADS)

Schumaker, Merit G.; Kennedy, Gregory; Thadhani, Naresh; Hankin, Markos; Stewart, Sarah T.; Borg, John P.

2017-01-01

Determining stress and temperature distributions of dynamically compacted particles is of interest to the geophysical and astrological research communities. However, the researcher cannot easily observe particle interactions during a planar shock experiment. By using mesoscale simulations, we can unravel granular particle interactions. Unlike homogenous materials, the averaged Hugoniot state for heterogeneous granular materials differs from the individual stress and temperature states of particles during a shock event. From planar shock experiments for dry and water-saturated Oklahoma sand, we constructed simulations using Sandia National Laboratory code known as CTH and then compared these simulated results to the experimental results. This document compares and presents stress and temperature distributions from simulations, with a discussion on the difference between Hugoniot measurements and distribution peaks for dry and water-saturated sand.

Statistical mechanics of self-driven Carnot cycles.

PubMed

Smith, E

1999-10-01

The spontaneous generation and finite-amplitude saturation of sound, in a traveling-wave thermoacoustic engine, are derived as properties of a second-order phase transition. It has previously been argued that this dynamical phase transition, called "onset," has an equivalent equilibrium representation, but the saturation mechanism and scaling were not computed. In this work, the sound modes implementing the engine cycle are coarse-grained and statistically averaged, in a partition function derived from microscopic dynamics on criteria of scale invariance. Self-amplification performed by the engine cycle is introduced through higher-order modal interactions. Stationary points and fluctuations of the resulting phenomenological Lagrangian are analyzed and related to background dynamical currents. The scaling of the stable sound amplitude near the critical point is derived and shown to arise universally from the interaction of finite-temperature disorder, with the order induced by self-amplification.

Constraining the Symmetry Energy:. a Journey in the Isospin Physics from Coulomb Barrier to Deconfinement

NASA Astrophysics Data System (ADS)

di Toro, M.; Colonna, M.; Greco, V.; Ferini, G.; Rizzo, C.; Rizzo, J.; Baran, V.; Gaitanos, T.; Prassa, V.; Wolter, H. H.; Zielinska-Pfabe, M.

Heavy Ion Collisions (HIC) represent a unique tool to probe the in-medium nuclear interaction in regions away from saturation. In this work we present a selection of reaction observables in dissipative collisions particularly sensitive to the isovector part of the interaction, i.e.to the symmetry term of the nuclear Equation of State (EoS). At low energies the behavior of the symmetry energy around saturation influences dissipation and fragment production mechanisms. We will first discuss the recently observed Dynamical Dipole Radiation, due to a collective neutron-proton oscillation during the charge equilibration in fusion and deep-inelastic collisions. Important Iso - EOS are stressed. Reactions induced by unstable 132Sn beams appear to be very promising tools to test the sub-saturation Isovector EoS. New Isospin sensitive observables are also presented for deep-inelastic, fragmentation collisions and Isospin equilibration measurements (Imbalance Ratios). The high density symmetry term can be derived from isospin effects on heavy ion reactions at relativistic energies (few AGeV range), that can even allow a "direct" study of the covariant structure of the isovector interaction in the hadron medium. Rather sensitive observables are proposed from collective flows and from pion/kaon production. The possibility of the transition to a mixed hadron-quark phase, at high baryon and isospin density, is finally suggested. Some signatures could come from an expected "neutron trapping" effect. The importance of studying violent collisions with radioactive beams from low to relativistic energies is finally stressed.

Regional coupling of unsaturated and saturated flow and transport modeling - implementation at an alpine foothill aquifer in Austria

NASA Astrophysics Data System (ADS)

Klammler, G.; Rock, G.; Kupfersberger, H.; Fank, J.

2012-04-01

For many European countries nitrate leaching from the soil zone into the aquifer due to surplus application of mineral fertilizer and animal manure by farmers constitutes the most important threat to groundwater quality. Since this is a diffuse pollution situation measures to change agricultural production have to be investigated at the aquifer scale. In principal, the problem could be solved by the 3 dimensional equation describing variable saturated groundwater flow and solute transport. However, this is computationally prohibitive due to the temporal and spatial scope of the task, particularly in the framework of running numerous simulations to compromise between conflicting interests (i.e. good groundwater status and high agricultural yield). For the aquifer 'Westliches Leibnitzer Feld' we break down this task into 1d vertical movement of water and nitrate mass in the unsaturated zone and 2d horizontal flow of water and solutes in the saturated compartment. The aquifer is located within the Mur Valley about 20 km south of Graz and consists of early Holocene gravel with varying amounts of sand and some silt. The unsaturated flow and nitrate leaching package SIMWASER/STOTRASIM (Stenitzer, 1988; Feichtinger, 1998) is calibrated to the lysimeter data sets and further on applied to so called hydrotopes which are unique combinations of soil type and agricultural management. To account for the unknown regional distribution of crops grown and amount, timing and kind of fertilizers used a stochastic tool (Klammler et al, 2011) is developed that generates sequences of crop rotations derived from municipal statistical data. To match the observed nitrate concentrations in groundwater with a saturated nitrate transport model it is of utmost importance to apply a realistic input distribution of nitrate mass in terms of spatial and temporal characteristics. A table is generated by running SIMWASER/STOTRASIM that consists of unsaturated water and nitrate fluxes for each 10 cm interval of every hydrotope vertical profile until the lowest observed groundwater table is reached. The fluctuation range of the phreatic surface is also discretized in 10 cm intervals and used as outflow boundary condition. By this procedure, the influence of the groundwater table on the water and nitrate mass leaving the unsaturated can be considered taken into account varying soil horizons. To cover saturated flow in the WLF aquifer a 2-dimensional transient horizontal flow and solute transport model is set up. A sequential coupling between the two models is implemented, i.e. a unidirectional transfer of recharge and nitrate mass outflow from the hydrotopes to the saturated compartment. For this purpose, a one-time assignment between the spatial discretization of the hydrotopes and the finite element mesh has to be set up. The resulting groundwater table computed for a given time step with the input from SIMWASER/STOTRASIM is then used to extract the corresponding water and nitrate mass values from the look-up table to be used for the consecutive time step. This process is being repeated until the end of the simulation period. Within this approach there is no direct feedback between the unsaturated and the saturated aquifer compartment, i.e. there is no simultaneous (within the same time step) update of the pressure head - unsaturated head relationship at the soil and the phreatic surface (like is shown e.g. in Walsum and Groedendijk, 2008). For the dominating coarse sand conditions of the WLF aquifer we believe that this simplification is not of further relevance. For higher soil moisture contents (i.e. almost full saturation near the groundwater table) the curve returns to specific retention within a short vertical distance. Thus, there might only be mutual impact between soil and phreatic surface conditions for shallow groundwater tables. However, it should be mentioned here that all other processes in the two compartments (including capillary rise due to clay rich soils and groundwater withdrawn by root plants or evaporation losses) are accordingly considered given the capabilities of the used models. If we impose the computed groundwater table elevation as the outflow condition of the hydrotope for the next time step we postulate that the associated water volume of the saturated storage change will lead to the same change of the phreatic surface in the hydrotope column. This is only valid if the storage characteristics of the affected unsaturated soil layers can be adequately described by the co-located porosity of the saturated model. Moreover, the current soil moisture content of the respective soil layers is not being considered by the implemented new outflow boundary condition. Thus, from the perspective of continuity of mass it might be more correct, to transfer the same water volume that led to the saturated change (rise and fall) of the groundwater table to the unsaturated hydrotope column and compute the adjusted outflow boundary position for use in the next time step. Due to the hydrogeological conditions in our application, for almost all hydrotopes we have the same soil type (i.e. coarse sand) in the range of groundwater table fluctuations and thus, we expect no further impact of transferring the groundwater table from the saturated computation to the unsaturated domain. Summarizing, for the hydrogeologic conditions of our test site and the scope of the problem to be solved the sequential coupling between 1d unsaturated vertical and 2d saturated horizontal simulation of water movement and solute transport is regarded as an appropriate conceptual and numerical approach. Due to the extensive look-up table containing unsaturated water and nitrate fluxes for each hydrotope at a vertical resolution of 10 cm no further feedback processes between the unsaturated and saturated subsurface compartment need to be considered. Feichtinger, F. (1998). STOTRASIM - Ein Modell zur Simulation der Stickstoffdynamik in der ungesättigten Zone eines Ackerstandortes. Schriftenreihe des Bundesamtes für Wasserwirtschaft, Bd. 7, 14-41. Klammler, G., Rock, G., Fank, J. & H. Kupfersberger, H. (2011): Generating land use information to derive diffuse water and nitrate transfer as input for groundwater modelling at the aquifer scale, Proc of MODELCARE 2011 Models - Repository of Knowledge, Leipzig. Stenitzer, E. (1988). SIMWASER - Ein numerisches Modell zur Simulation des Bodenwasserhaushaltes und des Pflanzenertrages eines Standortes. Mitteilung Nr. 31, Bundesanstalt für Kulturtechnik und Bodenwasserhaushalt, A-3252 Petzenkirchen. Van Walsum, P.E.V. and P. Groedendilk (2008). Quasi steady-state simulation of the unsaturated zone in groundwater modeling of lowland regions. Vadose Zone J. 7:769-781 doi:10.2136/vzj2007.0146.

Transfer of monolayer TMD WS2 and Raman study of substrate effects

PubMed Central

Mlack, Jerome T.; Masih Das, Paul; Danda, Gopinath; Chou, Yung-Chien; Naylor, Carl H.; Lin, Zhong; López, Néstor Perea; Zhang, Tianyi; Terrones, Mauricio; Johnson, A. T. Charlie; Drndić, Marija

2017-01-01

A facile transfer process for transition metal dichalcogenide WS2 flakes is reported and the effect of the underlying substrate on the flake properties is investigated using Raman spectroscopy. The flakes are transferred from their growth substrate using polymethyl methacrylate (PMMA) and a wet etch to allow the user to transfer the flakes to a final substrate using a microscope and micromanipulator combined with semi-transparent Kapton tape. The substrates used range from insulators such as industry standard high-k dielectric HfO2 and “green polymer” parylene-C, to conducting chemical vapor deposition (CVD) grown graphene. Raman spectroscopy is used first to confirm the material quality of the transferred flakes to the substrates and subsequently to analyze and separate the effects arising from material transfer from those arising from interactions with the substrate. We observe changes in the Raman spectra associated with the interactions between the substrates in the flakes. These interactions affect both in-plane and out-of-plane modes in different ways depending on their sources, for example strain or surface charge. These changes vary with final substrate, with the strongest effects being observed for WS2 transferred onto graphene and HfO2, demonstrating the importance of understanding substrate interaction for fabrication of future devices. PMID:28220852

Interaction-component analysis of the effects of urea and its alkylated derivatives on the structure of T4-lysozyme

NASA Astrophysics Data System (ADS)

Yamamori, Yu; Matubayasi, Nobuyuki

2017-06-01

The effects of urea and its alkylated derivatives on the structure of T4-lysozyme were analyzed from the standpoint of energetics. Molecular dynamics simulations were conducted with explicit solvent, and the energy-representation method was employed to compute the free energy of transfer of the protein from pure-water solvent to the mixed solvents of water with urea, methylurea, 1,1-dimethylurea, and isopropylurea. Through the decomposition of the transfer free energy into the cosolvent and water contributions, it was observed that the former is partially cancelled by the latter and governs the total free energy of transfer. To determine the interaction component responsible for the transfer energetics, the correlations of the transfer free energy were also examined against the change in the solute-solvent interaction energy upon transfer and the corresponding changes in the electrostatic, van der Waals, and excluded-volume components. It was then found over the set of protein structures ranging from native to (partially) unfolded ones that the transfer free energy changes in parallel with the van der Waals component even when the cosolvent is alkylated. The electrostatic and excluded-volume components play minor roles in the structure modification of the protein, and the denaturing ability of alkylurea is brought by the van der Waals interaction.