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Sample records for effective pair potentials

Applicability of effective pair potentials for active Brownian particles.

PubMed

Rein, Markus; Speck, Thomas

2016-09-01

We have performed a case study investigating a recently proposed scheme to obtain an effective pair potential for active Brownian particles (Farage et al., Phys. Rev. E 91, 042310 (2015)). Applying this scheme to the Lennard-Jones potential, numerical simulations of active Brownian particles are compared to simulations of passive Brownian particles interacting by the effective pair potential. Analyzing the static pair correlations, our results indicate a limited range of activity parameters (speed and orientational correlation time) for which we obtain quantitative, or even qualitative, agreement. Moreover, we find a qualitatively different behavior for the virial pressure even for small propulsion speeds. Combining these findings we conclude that beyond linear response active particles exhibit genuine non-equilibrium properties that cannot be captured by effective pair interaction alone.
Perturbation theory of structure in classical liquid mixtures: Application to metallic systems near phase separation. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Henderson, R. L.

1974-01-01

The partial structure factors of classical simple liquid mixtures near phase separation are dicussed. The theory is developed for particles interacting through pair potentials, and is thus appropriate both to insulating fluids, and also to metallic systems if these may be described by an effective ion-ion pair interaction. The motivation arose from consideration of metallic liquid mixtures, in which resistive anomalies have been observed near phase separation. A mean field theory correction appropriate to 3 pair potential for the effects of correlated motions in the reference fluid is studied. The work is cast in terms of functions which are closely related to the direct correlation functions of Ornstein and Zernike. The results are qualitatively in accord with physical expectations. Quantitative agreement with experiment seems to turn on the selection of the hard core reference potential in terms of the metallic effective pair potential. It is suggested that the present effective pair potentials are perhaps not properly used to calculate the metallic structure factors at long wavelength.
Study of Proximity Effect at D-Wave Superconductors in Quasiclassical Methods

NASA Astrophysics Data System (ADS)

Tanuma, Y.; Tanaka, Y.; Kashiwaya, S.

2005-08-01

Tunneling spectra via Andreev bound states between a normal metal (N) / dx2-y2-wave superconductor (S) (in the presence of a subdominant s-wave pair potential) junction are investigated. In the present work, in order to study the role of proximity effect, we employ quasiclassical Green's function methods. This merit is that we can determine the spatial variation of the pair potentials self-consistently, where the leaking of pair potentials into the N side is involved. In the N/S junction with orientational angle θ = π/4, we can regard as the isolated d-wave superconductor, where attractive interaction in the N side is negligible. On the other hand, in the case of a high transparent contact to the d-wave superconductor (θ = 0), the pair potential penetrates into the inside of the N due to the proximity effect, where the is-wave is not indued at all. Then, the tunneling spectra has a very sharp zero-energy peak (ZEP). This ZEP originates from the fact that quasiparticles feel different sign of the pair potentials between normal metals and d-wave superconductors through Andreev reflections. We show that the spatial dependence of pair potentials is significantly sensitive to the transparency of the junction.
Vibrational stark effects to identify ion pairing and determine reduction potentials in electrolyte-free environments

DOE PAGES

Mani, Tomoyasu; Grills, David C.; Miller, John R.

2015-01-02

A recently-developed instrument for time-resolved infrared detection following pulse radiolysis has been used to measure the ν(C≡N) IR band of the radical anion of a CN-substituted fluorene in tetrahydrofuran. Specific vibrational frequencies can exhibit distinct frequency shifts due to ion-pairing, which can be explained in the framework of the vibrational Stark effect. Measurements of the ratio of free ions and ion-pairs in different electrolyte concentrations allowed us to obtain an association constant and free energy change for ion-pairing. As a result, this new method has the potential to probe the geometry of ion-pairing and allows the reduction potentials of moleculesmore » to be determined in the absence of electrolyte in an environment of low dielectric constant.« less
Hyper-Binding across Time: Age Differences in the Effect of Temporal Proximity on Paired-Associate Learning

ERIC Educational Resources Information Center

Campbell, Karen L.; Trelle, Alexandra; Hasher, Lynn

2014-01-01

Older adults show hyper- (or excessive) binding effects for simultaneously and sequentially presented distraction. Here, we addressed the potential role of hyper-binding in paired-associate learning. Older and younger adults learned a list of word pairs and then received an associative recognition task in which rearranged pairs were formed from…
Effects of experimental light at night on extra-pair paternity in a songbird.

PubMed

de Jong, Maaike; Lamers, Koosje P; Eugster, Mark; Ouyang, Jenny Q; Da Silva, Arnaud; Mateman, A Christa; van Grunsven, Roy H A; Visser, Marcel E; Spoelstra, Kamiel

2018-06-27

Light pollution is increasing worldwide and significantly affects animal behavior. In birds, these effects include advancement of morning activity and onset of dawn song, which may affect extra-pair paternity. Advanced dawn song of males may stimulate females to engage in extra-pair copulations, and the earlier activity onset may affect the males' mate guarding behavior. Earlier work showed an effect of light at night on extra-pair behavior, but this was in an area with other anthropogenic disturbances. Here, we present a two-year experimental study on effects of light at night on extra-pair paternity of great tits (Parus major). Previously dark natural areas were illuminated with white, red, and green LED lamps and compared to a dark control. In 2014, the proportion of extra-pair young in broods increased with distance to the red and white lamps (i.e., at lower light intensities), but decreased with distance to the poles in the dark control. In 2013, we found no effects on the proportion of extra-pair young. The total number of offspring sired by a male was unaffected by artificial light at night in both years, suggesting that potential changes in female fidelity in pairs breeding close to white and red light did not translate into fitness benefits for the males of these pairs. Artificial light at night might disrupt the natural patterns of extra-pair paternity, possibly negates potential benefits of extra-pair copulations and thus could alter sexual selection processes in wild birds. © 2018 Wiley Periodicals, Inc.
Zero-range effective field theory for resonant wino dark matter. Part III. Annihilation effects

NASA Astrophysics Data System (ADS)

Braaten, Eric; Johnson, Evan; Zhang, Hong

2018-05-01

Near a critical value of the wino mass where there is a zero-energy S-wave resonance at the neutral-wino-pair threshold, low-energy winos can be described by a zero-range effective field theory (ZREFT) in which the winos interact nonperturbatively through a contact interaction and through Coulomb interactions. The effects of wino-pair annihilation into electroweak gauge bosons are taken into account through the analytic continuation of the real parameters for the contact interaction to complex values. The parameters of ZREFT can be determined by matching wino-wino scattering amplitudes calculated by solving the Schrödinger equation for winos interacting through a real potential due to the exchange of electroweak gauge bosons and an imaginary potential due to wino-pair annihilation into electroweak gauge bosons. ZREFT at leading order gives an accurate analytic description of low-energy wino-wino scattering, inclusive wino-pair annihilation, and a wino-pair bound state. ZREFT can also be applied to partial annihilation rates, such as the Sommerfeld enhancement of the annihilation rate of wino pairs into monochromatic photons.
Thermal motion in proteins: Large effects on the time-averaged interaction energies

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

Goethe, Martin, E-mail: martingoethe@ub.edu; Rubi, J. Miguel; Fita, Ignacio

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothingmore » effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.« less
Thermal motion in proteins: Large effects on the time-averaged interaction energies

NASA Astrophysics Data System (ADS)

Goethe, Martin; Fita, Ignacio; Rubi, J. Miguel

2016-03-01

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothing effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.
Apomorphine conditioning and sensitization: the paired/unpaired treatment order as a new major determinant of drug conditioned and sensitization effects.

PubMed

de Matos, Liana Wermelinger; Carey, Robert J; Carrera, Marinete Pinheiro

2010-09-01

Repeated treatments with psychostimulant drugs generate behavioral sensitization. In the present study we employed a paired/unpaired protocol to assess the effects of repeated apomorphine (2.0 mg/kg) treatments upon locomotion behavior. In the first experiment we assessed the effects of conditioning upon apomorphine sensitization. Neither the extinction of the conditioned response nor a counter-conditioning procedure in which we paired an inhibitory treatment (apomorphine 0.05 mg/kg) with the previously established conditioned stimulus modified the sensitization response. In the second experiment, we administered the paired/unpaired protocol in two phases. In the second phase, we reversed the paired/unpaired protocol. Following the first phase, the paired group alone exhibited conditioned locomotion in the vehicle test and a sensitization response. In the second phase, the initial unpaired group which received 5 paired apomorphine trials during the reversal phase did not develop a conditioned response but developed a potentiated sensitization response. This disassociation of the conditioned response from the sensitization response is attributed to an apomorphine anti-habituation effect that can generate a false positive Pavlovian conditioned response effect. The potentiated sensitization response induced by the treatment reversal protocol points to an important role for the sequential experience of the paired/unpaired protocol in behavioral sensitization. 2010 Elsevier Inc. All rights reserved.
Effects of electrolytes on redox potentials through ion pairing

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

Bird, Matthew J.; Iyoda, Tomokazu; Bonura, Nicholas

Here, reduction potentials have been determined for two molecules, benzophenone (BzPh) and perylene (Per), effectively in the complete absence of electrolyte as well as in the presence of three different supporting electrolytes in the moderately polar solvent THF. A description of how this can be so, and qualifications, are described in the discussion section. The primary tool in this work, pulse radiolysis, measures electron transfer (ET) equilibria in solution to obtain differences in redox potentials. Voltammetry measures redox potentials by establishing ET equilibria at electrodes, but electrolytes are needed for current flow. Results here show that without electrolyte the redoxmore » potentials were 100–451 mV more negative than those with 100 mM electrolyte. These changes depended both on the molecule and the electrolyte. In THF the dominant contributor to stabilization of radical anions by electrolyte was ion pairing. An equation was derived to give changes in redox potentials when electrolyte is added in terms of ion pair dissociation constants and activity coefficients. Definite values were determined for energetics, ΔG d°, of ion pairing. Values of ΔG d° for pairs with TBA + give some doubt that it is a “weakly-coordinating cation.” Computations with DFT methods were moderately successful at describing the ion paring energies.« less
Effects of electrolytes on redox potentials through ion pairing

DOE PAGES

Bird, Matthew J.; Iyoda, Tomokazu; Bonura, Nicholas; ...

2017-09-21

Here, reduction potentials have been determined for two molecules, benzophenone (BzPh) and perylene (Per), effectively in the complete absence of electrolyte as well as in the presence of three different supporting electrolytes in the moderately polar solvent THF. A description of how this can be so, and qualifications, are described in the discussion section. The primary tool in this work, pulse radiolysis, measures electron transfer (ET) equilibria in solution to obtain differences in redox potentials. Voltammetry measures redox potentials by establishing ET equilibria at electrodes, but electrolytes are needed for current flow. Results here show that without electrolyte the redoxmore » potentials were 100–451 mV more negative than those with 100 mM electrolyte. These changes depended both on the molecule and the electrolyte. In THF the dominant contributor to stabilization of radical anions by electrolyte was ion pairing. An equation was derived to give changes in redox potentials when electrolyte is added in terms of ion pair dissociation constants and activity coefficients. Definite values were determined for energetics, ΔG d°, of ion pairing. Values of ΔG d° for pairs with TBA + give some doubt that it is a “weakly-coordinating cation.” Computations with DFT methods were moderately successful at describing the ion paring energies.« less
Effects of oxytocin on background anxiety in rats with high or low baseline startle

PubMed Central

Ayers, Luke; Agostini, Andrew; Schulkin, Jay; Rosen, Jeffrey B.

2016-01-01

Rationale Oxytocin has antianxiety properties in humans and rodents. However, the antianxiety effects have been variable. Objectives To reduce variability and strengthen to the antianxiety effect of oxytocin in fear-potentiated startle, two experiments were performed. First, different amounts of light-shock pairings were given to determine the optimal levels of cue-specific fear conditioning and non-predictable startle (background anxiety). Second, the antianxiety effects of oxytocin were examined in rats with high and low pre-fear conditioning baseline startle to determine if oxytocin differentially affects high and low trait anxiety rats. Methods Baseline pre-fear conditioning startle responses were first measured. Rats then received 1, 5 or 10 light-shock pairings. Fear-potentiated startle was then tested with two trial types: light-cued startle and non-cued startle trials. In the second experiment, rats fear conditioned with 10 light-shock pairings were administered either saline or oxytocin before a fear-potentiated startle test. Rats were categorized as low or high startlers by their pre-fear conditioning startle amplitude. Results Ten shock-pairings produced the largest non-cued startle responses (background anxiety), without increasing cue-specific fear-potentiated startle compared to 1 and 5 light-shock pairings. Cue-specific fear-potentiated startle was unaffected by oxytocin. Oxytocin reduced background anxiety only in rats with low pre-fear startle responses. Conclusions Oxytocin has population selective antianxiety effects on non-cued unpredictable threat, but only in rats with low pre-fear baseline startle responses. The low startle responses are reminiscent of humans with low startle responses and high trait anxiety. PMID:27004789
Bond order potential module for LAMMPS

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

2012-09-11

pair_bop is a module for performing energy calculations using the Bond Order Potential (BOP) for use in the parallel molecular dynamics code LAMMPS. The bop pair style computes BOP based upon quantum mechanical incorporating both sigma and pi bondings. By analytically deriving the BOP pair bop from quantum mechanical theory its transferability to different phases can approach that of quantum mechanical methods. This potential is extremely effective at modeling 111-V and II-VI compounds such as GaAs and CdTe. This potential is similar to the original BOP developed by Pettifor and later updated by Murdock et al. and Ward et al.
Magnon-induced superconductivity in a topological insulator coupled to ferromagnetic and antiferromagnetic insulators

NASA Astrophysics Data System (ADS)

Hugdal, Henning G.; Rex, Stefan; Nogueira, Flavio S.; Sudbø, Asle

2018-05-01

We study the effective interactions between Dirac fermions on the surface of a three-dimensional topological insulator due to the proximity coupling to the magnetic fluctuations in a ferromagnetic or antiferromagnetic insulator. Our results show that the magnetic fluctuations can mediate attractive interactions between Dirac fermions of both Amperean and BCS types. In the ferromagnetic case, we find pairing between fermions with parallel momenta, so-called Amperean pairing, whenever the effective Lagrangian for the magnetic fluctuations does not contain a quadratic term. The pairing interaction also increases with increasing Fermi momentum and is in agreement with previous studies in the limit of high chemical potential. If a quadratic term is present, the pairing is instead of BCS type above a certain chemical potential. In the antiferromagnetic case, BCS pairing occurs when the ferromagnetic coupling between magnons on the same sublattice exceeds the antiferromagnetic coupling between magnons on different sublattices. Outside this region in parameter space, we again find that Amperean pairing is realized.
Antimatter Production at a Potential Boundary

NASA Technical Reports Server (NTRS)

LaPointe, Michael R.; Reddy, Dhanireddy (Technical Monitor)

2001-01-01

Current antiproton production techniques rely on high-energy collisions between beam particles and target nuclei to produce particle and antiparticle pairs, but inherently low production and capture efficiencies render these techniques impractical for the cost-effective production of antimatter for space propulsion and other commercial applications. Based on Dirac's theory of the vacuum field, a new antimatter production concept is proposed in which particle-antiparticle pairs are created at the boundary of a steep potential step formed by the suppression of the local vacuum fields. Current antimatter production techniques are reviewed, followed by a description of Dirac's relativistic quantum theory of the vacuum state and corresponding solutions for particle tunneling and reflection from a potential barrier. The use of the Casimir effect to suppress local vacuum fields is presented as a possible technique for generating the sharp potential gradients required for particle-antiparticle pair creation.
Shear Viscosity Coefficient of 5d Liquid Transition Metals

NASA Astrophysics Data System (ADS)

Thakor, P. B.; Sonvane, Y. A.; Gajjar, P. N.; Jani, A. R.

2011-07-01

In the present paper we have calculated shear viscosity coefficient (η) of 5 d liquid transition metals. To calculate effective pair potential ν(r) and pair distribution function g(r) we have used our own newly constructed model potential and Percus- Yevick hard sphere (PYHS) structure factor S(q) respectively. We have also investigated the effect of different correction function like Hartree (H), Taylor (T) and Sarkar et al. (S) on shear viscosity coefficient (η). Our newly constructed model potential successfully explains the shear viscosity coefficient (η) of 5 d liquid transition metals.
Auditory cortical plasticity induced by intracortical microstimulation under pharmacological blockage of inhibitory synapses.

PubMed

Yokota, R; Takahashi, H; Funamizu, A; Uchihara, M; Suzurikawa, J; Kanzaki, R

2006-01-01

Electrical stimulation that can reorganize our neural system has a potential for promising neurorehabilitation. We previously demonstrated that temporally controlled intracortical microstimulation (ICMS) could induce the spike time-dependant plasticity and modify tuning properties of cortical neurons as desired. A 'pairing' ICMS following tone-induced excitatory post-synaptic potentials (EPSPs) produced potentiation in response to the paired tones, while an 'anti-pairing' ICMS preceding the tone-induced EPSPs resulted in depression. However, the conventional ICMS affected both excitatory and inhibitory synapses, and thereby could not quantify net excitatory synaptic effects. In the present work, we evaluated the ICMS effects under a pharmacological blockage of inhibitory inputs. The pharmacological blockage enhanced the ICMS effects, suggesting that inhibitory inputs determine a plastic degree of the neural system. Alternatively, the conventional ICMS had an inadequate timing to control excitatory synaptic inputs, because inhibitory synapse determined the latency of total neural inputs.
Potentiation in young infants: The origin of the prior knowledge effect?

PubMed Central

Barr, Rachel; Rovee-Collier, Carolyn; Learmonth, Amy

2011-01-01

In two experiments with 6-month-old infants, we found that prior learning of an operant task (remembered for 2 weeks) mediated new learning of a modeling event (remembered for only 1 day) and increased its recall. Infants first learned to associate lever pressing with moving a toy train housed in a large box. One or 2 weeks later, three target actions were modeled on a hand puppet while the train box (a retrieval cue) was in view. Merely retrieving the train memory strengthened it, and simultaneously pairing its retrieved memory with the modeled actions potentiated their learning and recall. When paired 1 week later, deferred imitation increased from 1 day to 4 weeks; when paired 2 weeks later, it increased from 1 day to 6 weeks. The striking parallels between potentiated learning in infants and the prior knowledge effect in adults suggests that the prior knowledge effect originates in early infancy. PMID:21264602
Demographic mechanisms of inbreeding adjustment through extra-pair reproduction.

PubMed

Reid, Jane M; Duthie, A Bradley; Wolak, Matthew E; Arcese, Peter

2015-07-01

One hypothesis explaining extra-pair reproduction is that socially monogamous females mate with extra-pair males to adjust the coefficient of inbreeding (f) of extra-pair offspring (EPO) relative to that of within-pair offspring (WPO) they would produce with their socially paired male. Such adjustment of offspring f requires non-random extra-pair reproduction with respect to relatedness, which is in turn often assumed to require some mechanism of explicit pre-copulatory or post-copulatory kin discrimination. We propose three demographic processes that could potentially cause mean f to differ between individual females' EPO and WPO given random extra-pair reproduction with available males without necessarily requiring explicit kin discrimination. Specifically, such a difference could arise if social pairings formed non-randomly with respect to relatedness or persisted non-randomly with respect to relatedness, or if the distribution of relatedness between females and their sets of potential mates changed during the period through which social pairings persisted. We used comprehensive pedigree and pairing data from free-living song sparrows (Melospiza melodia) to quantify these three processes and hence investigate how individual females could adjust mean offspring f through instantaneously random extra-pair reproduction. Female song sparrows tended to form social pairings with unrelated or distantly related males slightly less frequently than expected given random pairing within the defined set of available males. Furthermore, social pairings between more closely related mates tended to be more likely to persist across years than social pairings between less closely related mates. However, these effects were small and the mean relatedness between females and their sets of potential extra-pair males did not change substantially across the years through which social pairings persisted. Our framework and analyses illustrate how demographic and social structuring within populations might allow females to adjust mean f of offspring through random extra-pair reproduction without necessarily requiring explicit kin discrimination, implying that adjustment of offspring f might be an inevitable consequence of extra-pair reproduction. New theoretical and empirical studies are required to explore the general magnitude of such effects and quantify the degree to which they could facilitate or constrain long-term evolution of extra-pair reproduction. © 2015 The Authors. Journal of Animal Ecology published by John Wiley & Sons Ltd on behalf of British Ecological Society.

Angle-resolved effective potentials for disk-shaped molecules

NASA Astrophysics Data System (ADS)

Heinemann, Thomas; Palczynski, Karol; Dzubiella, Joachim; Klapp, Sabine H. L.

2014-12-01

We present an approach for calculating coarse-grained angle-resolved effective pair potentials for uniaxial molecules. For integrating out the intramolecular degrees of freedom we apply umbrella sampling and steered dynamics techniques in atomistically-resolved molecular dynamics (MD) computer simulations. Throughout this study we focus on disk-like molecules such as coronene. To develop the methods we focus on integrating out the van der Waals and intramolecular interactions, while electrostatic charge contributions are neglected. The resulting coarse-grained pair potential reveals a strong temperature and angle dependence. In the next step we fit the numerical data with various Gay-Berne-like potentials to be used in more efficient simulations on larger scales. The quality of the resulting coarse-grained results is evaluated by comparing their pair and many-body structure as well as some thermodynamic quantities self-consistently to the outcome of atomistic MD simulations of many-particle systems. We find that angle-resolved potentials are essential not only to accurately describe crystal structures but also for fluid systems where simple isotropic potentials start to fail already for low to moderate packing fractions. Further, in describing these states it is crucial to take into account the pronounced temperature dependence arising in selected pair configurations due to bending fluctuations.
A potential mate influences reproductive development in female, but not male, pine siskins.

PubMed

Watts, Heather E; Edley, Bruce; Hahn, Thomas P

2016-04-01

The role of photoperiod in avian reproductive timing has been well studied, and we are increasingly recognizing the roles of other environmental cues such as social cues. However, few studies have evaluated the extent to which males and females of the same species respond similarly to the same type of cue. Moreover, previous studies have rarely examined how variation in the quality or nature of a given social cue might modulate its effect. Here, we examine the sensitivity of male and female pine siskins (Spinus pinus) to a potential mate as a stimulatory cue for gonadal recrudescence, and we investigate whether variation in the relationship between a bird and its potential mate modulates the effect of that potential mate. Birds were initially housed without opposite sex birds on a 12L:12D photoperiod with ad libitum food. After gonadal recrudescence had begun males and females were randomly paired with an opposite sex bird or housed alone. An additional group of males was paired with estradiol-implanted females. In males, these social treatments had no effect on testis length, cloacal protuberance length, luteinizing hormone (LH) levels, or testosterone levels. In females, presence of a potential mate had a significant and positive effect on ovary score, defeathering of the brood patch, and LH levels. Among paired birds, the degree of affiliation within a pair corresponded to the extent of reproductive development in females, but not males. Thus, reproductive timing in females appears to be sensitive to both the presence of a potential mate and her relationship with him. Copyright © 2016 Elsevier Inc. All rights reserved.
A potential mate influences reproductive development in female, but not male, pine siskins

PubMed Central

Watts, Heather E.; Edley, Bruce; Hahn, Thomas P.

2016-01-01

The role of photoperiod in avian reproductive timing has been well studied, and we are increasingly recognizing the roles of other environmental cues such as social cues. However, few studies have evaluated the extent to which males and females of the same species respond similarly to the same type of cue. Moreover, previous studies have rarely examined how variation in the quality or nature of a given social cue might modulate its effect. Here, we examine the sensitivity of male and female pine siskins (Spinus pinus) to a potential mate as a stimulatory cue for gonadal recrudescence, and we investigate whether variation in the relationship between a bird and its potential mate modulates the effect of that potential mate. Birds were initially housed without opposite sex birds on a 12L:12D photoperiod with ad libitum food. After gonadal recrudescence had begun males and females were randomly paired with an opposite sex bird or housed alone. An additional group of males was paired with estradiol-implanted females. In males, these social treatments had no effect on testis length, cloacal protuberance length, luteinizing hormone (LH) levels, or testosterone levels. In females, presence of a potential mate had a significant and positive effect on ovary score, defeathering of the brood patch, and LH levels. Among paired birds, the degree of affiliation within a pair corresponded to the extent of reproductive development in females, but not males. Thus, reproductive timing in females appears to be sensitive to both the presence of a potential mate and her relationship with him. PMID:26836771
Semantic relatedness between words in each individual brain: an event-related potential study.

PubMed

Hata, Masahiro; Homae, Fumitaka; Hagiwara, Hiroko

2011-08-26

The relationship between 2 words is judged by the meanings of words. Here, we examined how the semantic relatedness of words is structured in each individual brain. During measurements of event-related potentials (ERPs), participants performed semantic-relatedness judgments of word pairs. For each participant, we divided word pairs into 2 groups--related and unrelated pairs--and compared their ERPs. All of the participants showed a significant N400 effect. However, when we applied an identical grouping of pairs, this effect was observed only in half the number of the participants. These results show that our single-subject analysis of N400 extracted semantic relatedness of words in the individual brain. Future studies using this analysis will clarify the organization of the mental lexicon. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.
Electrostatics Explains the Position-Dependent Effect of G⋅U Wobble Base Pairs on the Affinity of RNA Kissing Complexes.

PubMed

Abi-Ghanem, Josephine; Rabin, Clémence; Porrini, Massimiliano; Dausse, Eric; Toulmé, Jean-Jacques; Gabelica, Valérie

2017-10-06

In the RNA realm, non-Watson-Crick base pairs are abundant and can affect both the RNA 3D structure and its function. Here, we investigated the formation of RNA kissing complexes in which the loop-loop interaction is modulated by non-Watson-Crick pairs. Mass spectrometry, surface plasmon resonance, and UV-melting experiments show that the G⋅U wobble base pair favors kissing complex formation only when placed at specific positions. We tried to rationalize this effect by molecular modeling, including molecular mechanics Poisson-Boltzmann surface area (MMPBSA) thermodynamics calculations and PBSA calculations of the electrostatic potential surfaces. Modeling reveals that the G⋅U stabilization is due to a specific electrostatic environment defined by the base pairs of the entire loop-loop region. The loop is not symmetric, and therefore the identity and position of each base pair matters. Predicting and visualizing the electrostatic environment created by a given sequence can help to design specific kissing complexes with high affinity, for potential therapeutic, nanotechnology or analytical applications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Paired motor cortex and cervical epidural electrical stimulation timed to converge in the spinal cord promotes lasting increases in motor responses

PubMed Central

Mishra, Asht M.; Pal, Ajay; Gupta, Disha

2017-01-01

Key points Pairing motor cortex stimulation and spinal cord epidural stimulation produced large augmentation in motor cortex evoked potentials if they were timed to converge in the spinal cord.The modulation of cortical evoked potentials by spinal cord stimulation was largest when the spinal electrodes were placed over the dorsal root entry zone.Repeated pairing of motor cortex and spinal cord stimulation caused lasting increases in evoked potentials from both sites, but only if the time between the stimuli was optimal.Both immediate and lasting effects of paired stimulation are likely mediated by convergence of descending motor circuits and large diameter afferents onto common interneurons in the cervical spinal cord. Abstract Convergent activity in neural circuits can generate changes at their intersection. The rules of paired electrical stimulation are best understood for protocols that stimulate input circuits and their targets. We took a different approach by targeting the interaction of descending motor pathways and large diameter afferents in the spinal cord. We hypothesized that pairing stimulation of motor cortex and cervical spinal cord would strengthen motor responses through their convergence. We placed epidural electrodes over motor cortex and the dorsal cervical spinal cord in rats; motor evoked potentials (MEPs) were measured from biceps. MEPs evoked from motor cortex were robustly augmented with spinal epidural stimulation delivered at an intensity below the threshold for provoking an MEP. Augmentation was critically dependent on the timing and position of spinal stimulation. When the spinal stimulation was timed to coincide with the descending volley from motor cortex stimulation, MEPs were more than doubled. We then tested the effect of repeated pairing of motor cortex and spinal stimulation. Repetitive pairing caused strong augmentation of cortical MEPs and spinal excitability that lasted up to an hour after just 5 min of pairing. Additional physiology experiments support the hypothesis that paired stimulation is mediated by convergence of descending motor circuits and large diameter afferents in the spinal cord. The large effect size of this protocol and the conservation of the circuits being manipulated between rats and humans makes it worth pursuing for recovery of sensorimotor function after injury to the central nervous system. PMID:28752624
Paired motor cortex and cervical epidural electrical stimulation timed to converge in the spinal cord promotes lasting increases in motor responses.

PubMed

Mishra, Asht M; Pal, Ajay; Gupta, Disha; Carmel, Jason B

2017-11-15

Pairing motor cortex stimulation and spinal cord epidural stimulation produced large augmentation in motor cortex evoked potentials if they were timed to converge in the spinal cord. The modulation of cortical evoked potentials by spinal cord stimulation was largest when the spinal electrodes were placed over the dorsal root entry zone. Repeated pairing of motor cortex and spinal cord stimulation caused lasting increases in evoked potentials from both sites, but only if the time between the stimuli was optimal. Both immediate and lasting effects of paired stimulation are likely mediated by convergence of descending motor circuits and large diameter afferents onto common interneurons in the cervical spinal cord. Convergent activity in neural circuits can generate changes at their intersection. The rules of paired electrical stimulation are best understood for protocols that stimulate input circuits and their targets. We took a different approach by targeting the interaction of descending motor pathways and large diameter afferents in the spinal cord. We hypothesized that pairing stimulation of motor cortex and cervical spinal cord would strengthen motor responses through their convergence. We placed epidural electrodes over motor cortex and the dorsal cervical spinal cord in rats; motor evoked potentials (MEPs) were measured from biceps. MEPs evoked from motor cortex were robustly augmented with spinal epidural stimulation delivered at an intensity below the threshold for provoking an MEP. Augmentation was critically dependent on the timing and position of spinal stimulation. When the spinal stimulation was timed to coincide with the descending volley from motor cortex stimulation, MEPs were more than doubled. We then tested the effect of repeated pairing of motor cortex and spinal stimulation. Repetitive pairing caused strong augmentation of cortical MEPs and spinal excitability that lasted up to an hour after just 5 min of pairing. Additional physiology experiments support the hypothesis that paired stimulation is mediated by convergence of descending motor circuits and large diameter afferents in the spinal cord. The large effect size of this protocol and the conservation of the circuits being manipulated between rats and humans makes it worth pursuing for recovery of sensorimotor function after injury to the central nervous system. © 2017 The Authors. The Journal of Physiology published by John Wiley & Sons Ltd on behalf of The Physiological Society.
Thermodynamics and kinetics of Na+/K+-formate ion pairs association in polarizable water: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Nguyen, Phuong T. M.; Nguyen, Van T.; Annapureddy, Harsha V. R.; Dang, Liem X.; Do, D. D.

2012-12-01

To enhance our understanding of ion specific activity in biological systems, the potential of mean force approach was utilized to study solvent effects on the interactions between two alkali cations (Na+ and K+) with a formate anion in water. A very complex free energy landscape was observed, much more so than alkali-halide ion pairs. Furthermore, a stronger binding between the Na+-formate pair was found in comparison to the K+-formate pair in water, which is in agreement with experimental and theoretical studies [1-4]. The kinetics of ion-pair inter-conversions was studied using the transition rate theory, along with a number of theoretical approaches such as the Kramers and Grote-Hynes theories. These kinetic results were used to predict solvent effects on dynamical features of ion-pair association, in which we have found that the dynamics of K+-formate pairs is faster than Na+-formate pairs.
Testing enhances both encoding and retrieval for both tested and untested items.

PubMed

Cho, Kit W; Neely, James H; Crocco, Stephanie; Vitrano, Deana

2017-07-01

In forward testing effects, taking a test enhances memory for subsequently studied material. These effects have been observed for previously studied and tested items, a potentially item-specific testing effect, and newly studied untested items, a purely generalized testing effect. We directly compared item-specific and generalized forward testing effects using procedures to separate testing benefits due to encoding versus retrieval. Participants studied two lists of Swahili-English word pairs, with the second study list containing "new" pairs intermixed with the previously studied "old" pairs. Participants completed a review phase in which they took a cued-recall test on only the "old" pairs or restudied them. In Experiments 1a, 1b, and 2, the review phase was given either before or after the second study list. Testing benefited memory to the same degree for both "new" and "old" pairs, suggesting that there were no pair-specific benefits of testing. The larger benefit from testing when review was given before rather than after the second study list suggests that the memory enhancement was due to both testing-enhanced encoding and testing-enhanced retrieval. To better equate generalized testing effects for "new" and "old" pairs, Experiment 3 intermixed them in the review phase. A statistically significant pair-specific testing effect for "old" items was now observed. Overall, these results show that forward testing effects are due to both testing-enhanced encoding and retrieval effects and that direct, pair-specific forward testing benefits are considerably smaller than indirect, generalized forward testing benefits.
Synaptic depolarization is more effective than back-propagating action potentials during induction of associative long-term potentiation in hippocampal pyramidal neurons.

PubMed

Hardie, Jason; Spruston, Nelson

2009-03-11

Long-term potentiation (LTP) requires postsynaptic depolarization that can result from EPSPs paired with action potentials or larger EPSPs that trigger dendritic spikes. We explored the relative contribution of these sources of depolarization to LTP induction during synaptically driven action potential firing in hippocampal CA1 pyramidal neurons. Pairing of a weak test input with a strong input resulted in large LTP (approximately 75% increase) when the weak and strong inputs were both located in the apical dendrites. This form of LTP did not require somatic action potentials. When the strong input was located in the basal dendrites, the resulting LTP was smaller (< or =25% increase). Pairing the test input with somatically evoked action potentials mimicked this form of LTP. Thus, back-propagating action potentials may contribute to modest LTP, but local synaptic depolarization and/or dendritic spikes mediate a stronger form of LTP that requires spatial proximity of the associated synaptic inputs.
Dirty two-band superconductivity with interband pairing order

NASA Astrophysics Data System (ADS)

Asano, Yasuhiro; Sasaki, Akihiro; Golubov, Alexander A.

2018-04-01

We study theoretically the effects of random nonmagnetic impurities on the superconducting transition temperature T c in a two-band superconductor characterized by an equal-time s-wave interband pairing order parameter. Because of the two-band degree of freedom, it is possible to define a spin-triplet s-wave pairing order parameter as well as a spin-singlet s-wave order parameter. The former belongs to odd-band-parity symmetry class, whereas the latter belongs to even-band-parity symmetry class. In a spin-singlet superconductor, T c is insensitive to the impurity concentration when we estimate the self-energy due to the random impurity potential within the Born approximation. On the other hand in a spin-triplet superconductor, T c decreases with the increase of the impurity concentration. We conclude that Cooper pairs belonging to odd-band-parity symmetry class are fragile under the random impurity potential even though they have s-wave pairing symmetry.
Effects of partner beauty on opposite-sex attractiveness judgments.

PubMed

Little, Anthony C; Caldwell, Christine A; Jones, Benedict C; DeBruine, Lisa M

2011-12-01

Many studies show mate choice copying effects on mate preferences in non-human species in which individuals follow or copy the mate choices of same-sex conspecifics. Recent studies suggest that social learning also influences mate preferences in humans. Studies on heterosexual humans have focused on rating the attractiveness of potential mates (targets) presented alongside individuals of the opposite sex to the target (models). Here, we examined several different types of pairing to examine how specific social learning is to mate preferences. In Study 1, we replicated a previous effect whereby target faces of the opposite sex to the subject were rated as more attractive when paired with attractive than unattractive partner models of the same sex as the subject. Using the same paired stimuli, Study 2 demonstrated no effect of a paired model if subjects were asked to rate targets who were the same sex as themselves. In Study 3, we used pairs of the same sex, stating the pair were friends, and subjects rated targets of the opposite sex to themselves. Attractive models decreased targets' attractiveness, opposite to the effect in Study 1. Finally, Study 4 examined if attractive versus unattractive non-face stimuli might influence attraction. Unlike in Study 1, pairing with attractive stimuli either had no effect or decreased the attractiveness of paired target face images. These data suggest that social transmission of preferences via pairing with attractive/unattractive images is relatively specific to learning about mate preferences but does not influence attractiveness judgments more generally.
Odd-frequency superconductivity induced in topological insulators with and without hexagonal warping.

PubMed

Vasenko, A S; Golubov, A A; Silkin, V M; Chulkov, E V

2017-07-26

We study the effect of the Fermi surface anisotropy on the odd-frequency spin-triplet pairing component of the induced pair potential. We consider a superconductor/ ferromagnetic insulator (S/FI) hybrid structure formed on the 3D topological insulator (TI) surface. In this case three ingredients ensure the possibility of the odd-frequency pairing: (1) the topological surface states, (2) the induced pair potential, and (3) the magnetic moment of a nearby ferromagnetic insulator. We take into account the strong anisotropy of the Dirac point in topological insulators when the chemical potential lies well above the Dirac cone and its constant energy contour has a snowflake shape. Within this model, we propose that the S/FI boundary should be properly aligned with respect to the snowflake constant energy contour to have an odd-frequency symmetry of the corresponding pairing component and to insure the Majorana bound state at the S/FI boundary. For arbitrary orientation of the boundary, the Majorana bound state is absent. This provides a selection rule to the realization of Majorana modes in S/FI hybrid structures, formed on the topological insulator surface.
Rotationally adiabatic pair interactions of para- and ortho-hydrogen with the halogen molecules F2, Cl2, and Br2.

PubMed

Berg, Matthias; Accardi, Antonio; Paulus, Beate; Schmidt, Burkhard

2014-08-21

The present work is concerned with the weak interactions between hydrogen and halogen molecules, i.e., the interactions of pairs H2-X2 with X = F, Cl, Br, which are dominated by dispersion and quadrupole-quadrupole forces. The global minimum of the four-dimensional (4D) coupled cluster with singles and doubles and perturbative triples (CCSD(T)) pair potentials is always a T shaped structure where H2 acts as the hat of the T, with well depths (De) of 1.3, 2.4, and 3.1 kJ/mol for F2, Cl2, and Br2, respectively. MP2/AVQZ results, in reasonable agreement with CCSD(T) results extrapolated to the basis set limit, are used for detailed scans of the potentials. Due to the large difference in the rotational constants of the monomers, in the adiabatic approximation, one can solve the rotational Schrödinger equation for H2 in the potential of the X2 molecule. This yields effective two-dimensional rotationally adiabatic potential energy surfaces where pH2 and oH2 are point-like particles. These potentials for the H2-X2 complexes have global and local minima for effective linear and T-shaped complexes, respectively, which are separated by 0.4-1.0 kJ/mol, where oH2 binds stronger than pH2 to X2, due to higher alignment to minima structures of the 4D-pair potential. Further, we provide fits of an analytical function to the rotationally adiabatic potentials.
Traveling-cluster approximation for uncorrelated amorphous systems

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

Sen, A.K.; Mills, R.; Kaplan, T.

1984-11-15

We have developed a formalism for including cluster effects in the one-electron Green's function for a positionally disordered (liquid or amorphous) system without any correlation among the scattering sites. This method is an extension of the technique known as the traveling-cluster approximation (TCA) originally obtained and applied to a substitutional alloy by Mills and Ratanavararaksa. We have also proved the appropriate fixed-point theorem, which guarantees, for a bounded local potential, that the self-consistent equations always converge upon iteration to a unique, Herglotz solution. To our knowledge, this is the only analytic theory for considering cluster effects. Furthermore, we have performedmore » some computer calculations in the pair TCA, for the model case of delta-function potentials on a one-dimensional random chain. These results have been compared with ''exact calculations'' (which, in principle, take into account all cluster effects) and with the coherent-potential approximation (CPA), which is the single-site TCA. The density of states for the pair TCA clearly shows some improvement over the CPA and yet, apparently, the pair approximation distorts some of the features of the exact results.« less
An ensemble of SVM classifiers based on gene pairs.

PubMed

Tong, Muchenxuan; Liu, Kun-Hong; Xu, Chungui; Ju, Wenbin

2013-07-01

In this paper, a genetic algorithm (GA) based ensemble support vector machine (SVM) classifier built on gene pairs (GA-ESP) is proposed. The SVMs (base classifiers of the ensemble system) are trained on different informative gene pairs. These gene pairs are selected by the top scoring pair (TSP) criterion. Each of these pairs projects the original microarray expression onto a 2-D space. Extensive permutation of gene pairs may reveal more useful information and potentially lead to an ensemble classifier with satisfactory accuracy and interpretability. GA is further applied to select an optimized combination of base classifiers. The effectiveness of the GA-ESP classifier is evaluated on both binary-class and multi-class datasets. Copyright © 2013 Elsevier Ltd. All rights reserved.
Pair potentials for liquid sodium near freezing from electron theory and from inversion of the measured structure factor

NASA Astrophysics Data System (ADS)

Perrot, F.; March, N. H.

An effective pair potential for liquid sodium near freezing has been calculated from electron theory using the density-functional method. The main features of the potential extracted by Reatto, Levesque, and Weis [phys. Rev. A 33, 3451 (1986)] by inverting the measured structure factor of Greenfield, Wellendorf, and Wiser [Phys. Rev. A 4, 1607 (1971)] are faithfully reflected by electron theory. To obtain precise agreement between the two methods will evidently require further progress in setting up nonlocal exchange and correlation functionals.
Shear viscosity coefficient of liquid lanthanides

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

Patel, H. P., E-mail: patel.harshal2@gmail.com; Thakor, P. B., E-mail: pbthakore@rediffmail.com; Prajapati, A. V., E-mail: anand0prajapati@gmail.com

2015-05-15

Present paper deals with the computation of shear viscosity coefficient (η) of liquid lanthanides. The effective pair potential v(r) is calculated through our newly constructed model potential. The Pair distribution function g(r) is calculated from PYHS reference system. To see the influence of local field correction function, Hartree (H), Tailor (T) and Sarkar et al (S) local field correction function are used. Present results are compared with available experimental as well as theoretical data. Lastly, we found that our newly constructed model potential successfully explains the shear viscosity coefficient (η) of liquid lanthanides.
Shear viscosity coefficient of liquid lanthanides

NASA Astrophysics Data System (ADS)

Patel, H. P.; Sonvane, Y. A.; Thakor, P. B.; Prajapati, A. V.

2015-05-01

Present paper deals with the computation of shear viscosity coefficient (η) of liquid lanthanides. The effective pair potential v(r) is calculated through our newly constructed model potential. The Pair distribution function g(r) is calculated from PYHS reference system. To see the influence of local field correction function, Hartree (H), Tailor (T) and Sarkar et al (S) local field correction function are used. Present results are compared with available experimental as well as theoretical data. Lastly, we found that our newly constructed model potential successfully explains the shear viscosity coefficient (η) of liquid lanthanides.
Potential of mean force between like-charged nanoparticles: Many-body effect

NASA Astrophysics Data System (ADS)

Zhang, Xi; Zhang, Jin-Si; Shi, Ya-Zhou; Zhu, Xiao-Long; Tan, Zhi-Jie

2016-03-01

Ion-mediated interaction is important for the properties of polyelectrolytes such as colloids and nucleic acids. The effective pair interactions between two polyelectrolytes have been investigated extensively, but the many-body effect for multiple polyelectrolytes still remains elusive. In this work, the many-body effect in potential of mean force (PMF) between like-charged nanoparticles in various salt solutions has been comprehensively examined by Monte Carlo simulation and the nonlinear Poisson-Boltzmann theory. Our calculations show that, at high 1:1 salt, the PMF is weakly repulsive and appears additive, while at low 1:1 salt, the additive assumption overestimates the repulsive many-body PMF. At low 2:2 salt, the pair PMF appears weakly repulsive while the many-body PMF can become attractive. In contrast, at high 2:2 salt, the pair PMF is apparently attractive while the many-body effect can cause a weaker attractive PMF than that from the additive assumption. Our microscopic analyses suggest that the elusive many-body effect is attributed to ion-binding which is sensitive to ion concentration, ion valence, number of nanoparticles and charges on nanoparticles.

State-of-the-art ab initio potential energy curve for the krypton atom pair and thermophysical properties of dilute krypton gas

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

Jäger, Benjamin, E-mail: benjamin.jaeger@uni-rostock.de; Hellmann, Robert, E-mail: robert.hellmann@uni-rostock.de; Bich, Eckard

2016-03-21

A new reference krypton-krypton interatomic potential energy curve was developed by means of quantum-chemical ab initio calculations for 36 interatomic separations. Highly accurate values for the interaction energies at the complete basis set limit were obtained using the coupled-cluster method with single, double, and perturbative triple excitations as well as t-aug-cc-pV5Z and t-aug-cc-pV6Z basis sets including mid-bond functions, with the 6Z basis set being newly constructed for this study. Higher orders of coupled-cluster terms were considered in a successive scheme up to full quadruple excitations. Core-core and core-valence correlation effects were included. Furthermore, relativistic effects were studied not only atmore » a scalar relativistic level using second-order direct perturbation theory, but also utilizing full four-component and Gaunt-effect computations. An analytical pair potential function was fitted to the interaction energies, which is characterized by a depth of 200.88 K with an estimated standard uncertainty of 0.51 K. Thermophysical properties of low-density krypton were calculated for temperatures up to 5000 K. Second and third virial coefficients were obtained from statistical thermodynamics. Viscosity and thermal conductivity as well as the self-diffusion coefficient were computed using the kinetic theory of gases. The theoretical results are compared with experimental data and with results for other pair potential functions from the literature, especially with those calculated from the recently developed ab initio potential of Waldrop et al. [J. Chem. Phys. 142, 204307 (2015)]. Highly accurate experimental viscosity data indicate that both the present ab initio pair potential and the one of Waldrop et al. can be regarded as reference potentials, even though the quantum-chemical methods and basis sets differ. However, the uncertainties of the present potential and of the derived properties are estimated to be considerably lower.« less
State-of-the-art ab initio potential energy curve for the krypton atom pair and thermophysical properties of dilute krypton gas.

PubMed

Jäger, Benjamin; Hellmann, Robert; Bich, Eckard; Vogel, Eckhard

2016-03-21

A new reference krypton-krypton interatomic potential energy curve was developed by means of quantum-chemical ab initio calculations for 36 interatomic separations. Highly accurate values for the interaction energies at the complete basis set limit were obtained using the coupled-cluster method with single, double, and perturbative triple excitations as well as t-aug-cc-pV5Z and t-aug-cc-pV6Z basis sets including mid-bond functions, with the 6Z basis set being newly constructed for this study. Higher orders of coupled-cluster terms were considered in a successive scheme up to full quadruple excitations. Core-core and core-valence correlation effects were included. Furthermore, relativistic effects were studied not only at a scalar relativistic level using second-order direct perturbation theory, but also utilizing full four-component and Gaunt-effect computations. An analytical pair potential function was fitted to the interaction energies, which is characterized by a depth of 200.88 K with an estimated standard uncertainty of 0.51 K. Thermophysical properties of low-density krypton were calculated for temperatures up to 5000 K. Second and third virial coefficients were obtained from statistical thermodynamics. Viscosity and thermal conductivity as well as the self-diffusion coefficient were computed using the kinetic theory of gases. The theoretical results are compared with experimental data and with results for other pair potential functions from the literature, especially with those calculated from the recently developed ab initio potential of Waldrop et al. [J. Chem. Phys. 142, 204307 (2015)]. Highly accurate experimental viscosity data indicate that both the present ab initio pair potential and the one of Waldrop et al. can be regarded as reference potentials, even though the quantum-chemical methods and basis sets differ. However, the uncertainties of the present potential and of the derived properties are estimated to be considerably lower.
Effect of hang cleans or squats paired with countermovement vertical jumps on vertical displacement.

PubMed

Andrews, Tedi R; Mackey, Theresa; Inkrott, Thomas A; Murray, Steven R; Clark, Ida E; Pettitt, Robert W

2011-09-01

Complex training is characterized by pairing resistance exercise with plyometric exercise to exploit the postactivation potentiation (PAP) phenomenon, thereby promising a better training effect. Studies on PAP as measured by human power performances are equivocal. One issue may be the lack of analyses across multiple sets of paired exercises, a common practice used by athletes. We evaluated countermovement vertical jump (CMJ) performance in 19 women, collegiate athletes in 3 of the following trials: (a) CMJs-only, where 1 set of CMJs served as a conditioning exercise, (b) heavy-load, back squats paired with CMJs, and (c) hang cleans paired with CMJs. The CMJ vertical displacement (3-attempt average), as measured with digital video, served as the dependent variable of CMJ performance. Across 3 sets of paired-exercise regimens, CMJ-only depreciated 1.6 cm and CMJ paired with back squats depreciated 2.0 cm (main effect, p < 0.05). Conversely, CMJ paired with hang cleans depreciated 0.30 cm (interaction, p < 0.05). Thus, the best complex training scheme was achieved by pairing CMJs with hang cleans in comparison to back squats or CMJs in and of themselves. Future research on exercise modes of complex training that best help athletes preserve and train with the highest power possible, in a given training session, is warranted.
Conducting a thermal conductivity survey

NASA Technical Reports Server (NTRS)

Allen, P. B.

1985-01-01

A physically transparent approximate theory of phonon decay rates is presented starting from a pair potential model of the interatomic forces in an insulator or semiconductor. The theory applies in the classical regime and relates the 3-phonon decay rate to the third derivative of the pair potential. Phonon dispersion relations do not need to be calculated, as sum rules relate all the needed quantities directly to the pair potential. The Brillouin zone averaged phonon lifetime turns out to involve a dimensionless measure of the anharmonicity multiplied by an effective density of states for 3-phonon decay. Results are given for rare gas and alkali halide crystals. For rare gases, the results are in good agreement with more elaborate perturbation calculations. Comparison to experimental data on phonon linewidths and thermal conductivity are made.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Heinemann, Thomas, E-mail: thomas.heinemann@tu-berlin.de; Klapp, Sabine H. L., E-mail: klapp@physik.tu-berlin.de; Palczynski, Karol, E-mail: karol.palczynski@helmholtz-berlin.de

We present an approach for calculating coarse-grained angle-resolved effective pair potentials for uniaxial molecules. For integrating out the intramolecular degrees of freedom we apply umbrella sampling and steered dynamics techniques in atomistically-resolved molecular dynamics (MD) computer simulations. Throughout this study we focus on disk-like molecules such as coronene. To develop the methods we focus on integrating out the van der Waals and intramolecular interactions, while electrostatic charge contributions are neglected. The resulting coarse-grained pair potential reveals a strong temperature and angle dependence. In the next step we fit the numerical data with various Gay-Berne-like potentials to be used in moremore » efficient simulations on larger scales. The quality of the resulting coarse-grained results is evaluated by comparing their pair and many-body structure as well as some thermodynamic quantities self-consistently to the outcome of atomistic MD simulations of many-particle systems. We find that angle-resolved potentials are essential not only to accurately describe crystal structures but also for fluid systems where simple isotropic potentials start to fail already for low to moderate packing fractions. Further, in describing these states it is crucial to take into account the pronounced temperature dependence arising in selected pair configurations due to bending fluctuations.« less
A femtoscopic correlation analysis tool using the Schrödinger equation (CATS)

NASA Astrophysics Data System (ADS)

Mihaylov, D. L.; Mantovani Sarti, V.; Arnold, O. W.; Fabbietti, L.; Hohlweger, B.; Mathis, A. M.

2018-05-01

We present a new analysis framework called "Correlation Analysis Tool using the Schrödinger equation" (CATS) which computes the two-particle femtoscopy correlation function C( k), with k being the relative momentum for the particle pair. Any local interaction potential and emission source function can be used as an input and the wave function is evaluated exactly. In this paper we present a study on the sensitivity of C( k) to the interaction potential for different particle pairs: p-p, p-Λ, K^-p, K^+-p, p-Ξ ^- and Λ- Λ. For the p-p Argonne v_{18} and Reid Soft-Core potentials have been tested. For the other pair systems we present results based on strong potentials obtained from effective Lagrangians such as χ EFT for p-Λ, Jülich models for K(\\bar{K})-N and Nijmegen models for Λ-Λ. For the p-Ξ^- pairs we employ the latest lattice results from the HAL QCD collaboration. Our detailed study of different interacting particle pairs as a function of the source size and different potentials shows that femtoscopic measurements can be exploited in order to constrain the final state interactions among hadrons. In particular, small collision systems of the order of 1 fm, as produced in pp collisions at the LHC, seem to provide a suitable environment for quantitative studies of this kind.
A methodology to enhance electromagnetic compatibility in joint military operations

NASA Astrophysics Data System (ADS)

Buckellew, William R.

The development and validation of an improved methodology to identify, characterize, and prioritize potential joint EMI (electromagnetic interference) interactions and identify and develop solutions to reduce the effects of the interference are discussed. The methodology identifies potential EMI problems using results from field operations, historical data bases, and analytical modeling. Operational expertise, engineering analysis, and testing are used to characterize and prioritize the potential EMI problems. Results can be used to resolve potential EMI during the development and acquisition of new systems and to develop engineering fixes and operational workarounds for systems already employed. The analytic modeling portion of the methodology is a predictive process that uses progressive refinement of the analysis and the operational electronic environment to eliminate noninterfering equipment pairs, defer further analysis on pairs lacking operational significance, and resolve the remaining EMI problems. Tests are conducted on equipment pairs to ensure that the analytical models provide a realistic description of the predicted interference.
The time course of episodic associative retrieval: electrophysiological correlates of cued recall of unimodal and crossmodal pair-associate learning.

PubMed

Tibon, Roni; Levy, Daniel A

2014-03-01

Little is known about the time course of processes supporting episodic cued recall. To examine these processes, we recorded event-related scalp electrical potentials during episodic cued recall following pair-associate learning of unimodal object-picture pairs and crossmodal object-picture and sound pairs. Successful cued recall of unimodal associates was characterized by markedly early scalp potential differences over frontal areas, while cued recall of both unimodal and crossmodal associates were reflected by subsequent differences recorded over frontal and parietal areas. Notably, unimodal cued recall success divergences over frontal areas were apparent in a time window generally assumed to reflect the operation of familiarity but not recollection processes, raising the possibility that retrieval success effects in that temporal window may reflect additional mnemonic processes beyond familiarity. Furthermore, parietal scalp potential recall success differences, which did not distinguish between crossmodal and unimodal tasks, seemingly support attentional or buffer accounts of posterior parietal mnemonic function but appear to constrain signal accumulation, expectation, or representational accounts.
Studies of Positron Generation from Ultraintense Laser-Matter Interactions

NASA Astrophysics Data System (ADS)

Williams, Gerald Jackson

Laser-produced pair jets possess unique characteristics that offer great potential for their use in laboratory-astrophysics experiments to study energetic phenomenon such as relativistic shock accelerations. High-flux, high-energy positron sources may also be used to study relativistic pair plasmas and useful as novel diagnostic tools for high energy density conditions. Copious amounts of positrons are produced with MeV energies from directly irradiating targets with ultraintense lasers where relativistic electrons, accelerated by the laser field, drive positron-electron pair production. Alternatively, laser wakefield accelerated electrons can produce pairs by the same mechanisms inside a secondary converter target. This dissertation describes a series of novel experiments that investigate the characteristics and scaling of pair production from ultraintense lasers, which are designed to establish a robust platform for laboratory-based relativistic pair plasmas. Results include a simple power-law scaling to estimate the effective positron yield for elemental targets for any Maxwellian electron source, typical of direct laser-target interactions. To facilitate these measurements, a solenoid electromagnetic coil was constructed to focus emitted particles, increasing the effective collection angle of the detector and enabling the investigation of pair production from thin targets and low-Z materials. Laser wakefield electron sources were also explored as a compact, high repetition rate platform for the production of high energy pairs with potential applications to the creation of charge-neutral relativistic pair plasmas. Plasma accelerators can produce low-divergence electron beams with energies approaching a GeV at Hz frequencies. It was found that, even for high-energy positrons, energy loss and scattering mechanisms in the target create a fundamental limit to the divergence and energy spectrum of the emitted positrons. The potential future application of laser-generated pairs was considered by exploring the feasibility of radiographing an imploding inertial confinement fusion capsule at ignition- relevant conditions. For an in-flight areal density of 0.02-0.2 g/cm2, currently available positron sources can make density and spatial measurements of deuterium-tritium fuel cores where additional complications of full-scale experiments are expected to reduce the measurement sensitivity.
Theoretical determination of one-electron redox potentials for DNA bases, base pairs, and stacks.

PubMed

Paukku, Y; Hill, G

2011-05-12

Electron affinities, ionization potentials, and redox potentials for DNA bases, base pairs, and N-methylated derivatives are computed at the DFT/M06-2X/6-31++G(d,p) level of theory. Redox properties of a guanine-guanine stack model are explored as well. Reduction and oxidation potentials are in good agreement with the experimental ones. Electron affinities of base pairs were found to be negative. Methylation of canonical bases affects the ionization potentials the most. Base pair formation and base stacking lower ionization potentials by 0.3 eV. Pairing of guanine with the 5-methylcytosine does not seem to influence the redox properties of this base pair much.
Temporal texture of associative encoding modulates recall processes.

PubMed

Tibon, Roni; Levy, Daniel A

2014-02-01

Binding aspects of an experience that are distributed over time is an important element of episodic memory. In the current study, we examined how the temporal complexity of an experience may govern the processes required for its retrieval. We recorded event-related potentials during episodic cued recall following pair associate learning of concurrently and sequentially presented object-picture pairs. Cued recall success effects over anterior and posterior areas were apparent in several time windows. In anterior locations, these recall success effects were similar for concurrently and sequentially encoded pairs. However, in posterior sites clustered over parietal scalp the effect was larger for the retrieval of sequentially encoded pairs. We suggest that anterior aspects of the mid-latency recall success effects may reflect working-with-memory operations or direct access recall processes, while more posterior aspects reflect recollective processes which are required for retrieval of episodes of greater temporal complexity. Copyright © 2013 Elsevier Inc. All rights reserved.
Photoemission spectrum and effect of inhomogeneous pairing fluctuations in the BCS-BEC crossover regime of an ultracold Fermi gas

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

Tsuchiya, Shunji; Ohashi, Yoji; CREST

2010-09-15

We investigate the photoemission-type spectrum in a cold Fermi gas which was recently measured by the JILA group [Stewart et al., Nature (London) 454, 744 (2008)]. This quantity gives us very useful information about single-particle properties in the BCS-BEC crossover. In this paper, including pairing fluctuations within a T-matrix theory, as well as effects of a harmonic trap within the local density approximation, we show that spatially inhomogeneous pairing fluctuations due to the trap potential are an important key to understanding the observed spectrum. In the crossover region, while strong pairing fluctuations lead to the so-called pseudogap phenomenon in themore » trap center, such strong-coupling effects are found to be weak around the edge of the gas. Our results including this effect are shown to agree well with the recent photoemission data of the JILA group.« less
Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions

PubMed Central

Babbush, Ryan; Parkhill, John; Aspuru-Guzik, Alán

2013-01-01

Feynman and Hibbs were the first to variationally determine an effective potential whose associated classical canonical ensemble approximates the exact quantum partition function. We examine the existence of a map between the local potential and an effective classical potential which matches the exact quantum equilibrium density and partition function. The usefulness of such a mapping rests in its ability to readily improve Born-Oppenheimer potentials for use with classical sampling. We show that such a map is unique and must exist. To explore the feasibility of using this result to improve classical molecular mechanics, we numerically produce a map from a library of randomly generated one-dimensional potential/effective potential pairs then evaluate its performance on independent test problems. We also apply the map to simulate liquid para-hydrogen, finding that the resulting radial pair distribution functions agree well with path integral Monte Carlo simulations. The surprising accessibility and transferability of the technique suggest a quantitative route to adapting Born-Oppenheimer potentials, with a motivation similar in spirit to the powerful ideas and approximations of density functional theory. PMID:24790954
Sensitivity to structure in action sequences: An infant event-related potential study.

PubMed

Monroy, Claire D; Gerson, Sarah A; Domínguez-Martínez, Estefanía; Kaduk, Katharina; Hunnius, Sabine; Reid, Vincent

2017-05-06

Infants are sensitive to structure and patterns within continuous streams of sensory input. This sensitivity relies on statistical learning, the ability to detect predictable regularities in spatial and temporal sequences. Recent evidence has shown that infants can detect statistical regularities in action sequences they observe, but little is known about the neural process that give rise to this ability. In the current experiment, we combined electroencephalography (EEG) with eye-tracking to identify electrophysiological markers that indicate whether 8-11-month-old infants detect violations to learned regularities in action sequences, and to relate these markers to behavioral measures of anticipation during learning. In a learning phase, infants observed an actor performing a sequence featuring two deterministic pairs embedded within an otherwise random sequence. Thus, the first action of each pair was predictive of what would occur next. One of the pairs caused an action-effect, whereas the second did not. In a subsequent test phase, infants observed another sequence that included deviant pairs, violating the previously observed action pairs. Event-related potential (ERP) responses were analyzed and compared between the deviant and the original action pairs. Findings reveal that infants demonstrated a greater Negative central (Nc) ERP response to the deviant actions for the pair that caused the action-effect, which was consistent with their visual anticipations during the learning phase. Findings are discussed in terms of the neural and behavioral processes underlying perception and learning of structured action sequences. Copyright © 2017 Elsevier Ltd. All rights reserved.
Prevalence of the prescription of potentially interacting drugs.

PubMed

Tragni, Elena; Casula, Manuela; Pieri, Vasco; Favato, Giampiero; Marcobelli, Alberico; Trotta, Maria Giovanna; Catapano, Alberico Luigi

2013-01-01

The use of multiple medications is becoming more common, with a correspondingly increased risk of untoward effects and drug-related morbidity and mortality. We aimed at estimating the prevalence of prescription of relevant potentially interacting drugs and at evaluating possible predictors of potentially interacting drug exposure. We retrospectively analyzed data on prescriptions dispensed from January 2004 to August 2005 to individuals of two Italian regions with a population of almost 2.1 million individuals. We identified 27 pairs of potentially interacting drugs by examining clinical relevance, documentation, and volume of use in Italy. Subjects who received at least one prescription of both drugs were selected. Co-prescribing denotes "two prescriptions in the same day", and concomitant medication "the prescription of two drugs with overlapping coverage". A logistic regression analysis was conducted to examine the predictors of potential Drug-Drug Interaction (pDDIs). 957,553 subjects (45.3% of study population) were exposed to at least one of the drugs/classes of the 27 pairs. Overall, pDDIs occurred 2,465,819 times. The highest rates of concomitant prescription and of co-prescription were for ACE inhibitors+NSAIDs (6,253 and 4,621/100,000 plan participants). Considering concomitance, the male/female ratio was <1 in 17/27 pairs (from 0.31 for NSAIDs-ASA+SSRI to 0.74 for omeprazole+clopidogrel). The mean age was lowest for methotrexate pairs (+omeprazole, 59.9 years; +NSAIDs-ASA, 59.1 years) and highest for digoxin+verapamil (75.4 years). In 13/27 pairs, the mean ages were ≥70 years. On average, subjects involved in pDDIs received ≥10 drugs. The odds of exposure were more frequently higher for age ≥65 years, males, and those taking a large number of drugs. A substantial number of clinically important pDDIs were observed, particularly among warfarin users. Awareness of the most prevalent pDDIs could help practitioners in preventing concomitant use, resulting in a better quality of drug prescription and potentially avoiding unwanted side effects.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Filinov, A.V.; Golubnychiy, V.O.; Bonitz, M.

Extending our previous work [A.V. Filinov et al., J. Phys. A 36, 5957 (2003)], we present a detailed discussion of accuracy and practical applications of finite-temperature pseudopotentials for two-component Coulomb systems. Different pseudopotentials are discussed: (i) the diagonal Kelbg potential, (ii) the off-diagonal Kelbg potential, (iii) the improved diagonal Kelbg potential, (iv) an effective potential obtained with the Feynman-Kleinert variational principle, and (v) the 'exact' quantum pair potential derived from the two-particle density matrix. For the improved diagonal Kelbg potential, a simple temperature-dependent fit is derived which accurately reproduces the 'exact' pair potential in the whole temperature range. The derivedmore » pseudopotentials are then used in path integral Monte Carlo and molecular-dynamics (MD) simulations to obtain thermodynamical properties of strongly coupled hydrogen. It is demonstrated that classical MD simulations with spin-dependent interaction potentials for the electrons allow for an accurate description of the internal energy of hydrogen in the difficult regime of partial ionization down to the temperatures of about 60 000 K. Finally, we point out an interesting relationship between the quantum potentials and the effective potentials used in density-functional theory.« less
Ion-mediated interactions in suspensions of oppositely charged nanoparticles

NASA Astrophysics Data System (ADS)

Dahirel, Vincent; Hansen, Jean Pierre

2009-08-01

The structure of oppositely charged spherical nanoparticles (polyions), dispersed in ionic solutions with continuous solvent (primitive model), is investigated by Monte Carlo (MC) simulations, within explicit and implicit microion representations, over a range of polyion valences and densities, and microion concentrations. Systems with explicit microions are explored by semigrand canonical MC simulations, and allow density-dependent effective polyion pair potentials vαβeff(r ) to be extracted from measured partial pair distribution functions. Implicit microion MC simulations are based on pair potentials of mean force vαβ(2)(r ) computed by explicit microion simulations of two charged polyions, in the low density limit. In the vicinity of the liquid-gas separation expected for oppositely charged polyions, the implicit microion representation leads to an instability against density fluctuations for polyion valences |Z| significantly below those at which the instability sets in within the exact explicit microion representation. Far from this instability region, the vαβ(2)(r ) are found to be fairly close to but consistently more repulsive than the effective pair potentials vαβeff(r ). This is corroborated by additional calculations of three-body forces between polyion triplets, which are repulsive when one polyion is of opposite charge to the other two. The explicit microion MC data were exploited to determine the ratio of salt concentrations c and co within the dispersion and the reservoir (Donnan effect). c /co is found to first increase before finally decreasing as a function of the polyion packing fraction.
Thermodynamics and Kinetics of Na+/K+-Formate Ion Pairs Association in Polarizable Water: A Molecular Dynamics Study

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

Nguyen, Phuong T.; Nguyen, Van T.; Annapureddy, Harsha V.

2012-12-03

To elevate our understanding of ion specific activity in biological systems, the potential of mean force approach was utilized to study solvent effects on interactions between two alkali cations (Na+ and K+) with a formate anion in water. A very complex free energy landscape was observed, much more so than alkali-halide ion pairs. Furthermore, stronger binding between the Na+-formate pair was found in comparison to the K+-formate pair in water, a finding that agrees with experimental and theoretical studies of these systems. The kinetics of ion-pair interconversions were studied using transition rate theory, along with a variety of theoretical approachesmore » such as the Kramers and Grote Hynes theories. These rate results were used to predict solvent effects on dynamical features of contact ion-pair association, in which faster dynamics were found for K+-formate pairs than for Na+-formate pairs. This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for DOE by Battelle.« less
Information Points and Optimal Discharging Speed: Effects on the Saturation Flow at Signalized Intersections

ERIC Educational Resources Information Center

Gao, Lijun

2015-01-01

An information point was defined in this study as any object, structure, or activity located outside of a traveling vehicle that could potentially attract the visual attention of the driver. Saturation flow rates were studied for three pairs of signalized intersections in Toledo, Ohio. Each pair of intersections consisted of one intersection with…
Influence of asymmetric attenuation of single and paired dendritic inputs on summation of synaptic potentials and initiation of action potentials.

PubMed

Fortier, Pierre A; Bray, Chelsea

2013-04-16

Previous studies revealed mechanisms of dendritic inputs leading to action potential initiation at the axon initial segment and backpropagation into the dendritic tree. This interest has recently expanded toward the communication between different parts of the dendritic tree which could preprocess information before reaching the soma. This study tested for effects of asymmetric voltage attenuation between different sites in the dendritic tree on summation of synaptic inputs and action potential initiation using the NEURON simulation environment. Passive responses due to the electrical equivalent circuit of the three-dimensional neuron architecture with leak channels were examined first, followed by the responses after adding voltage-gated channels and finally synaptic noise. Asymmetric attenuation of voltage, which is a function of asymmetric input resistance, was seen between all pairs of dendritic sites but the transfer voltages (voltage recorded at the opposite site from stimulation among a pair of dendritic sites) were equal and also summed linearly with local voltage responses during simultaneous stimulation of both sites. In neurons with voltage-gated channels, we reproduced the observations where a brief stimulus to the proximal ascending dendritic branch of a pyramidal cell triggers a local action potential but a long stimulus triggers a somal action potential. Combined stimulation of a pair of sites in this proximal dendrite did not alter this pattern. The attraction of the action potential onset toward the soma with a long stimulus in the absence of noise was due to the higher density of voltage-gated sodium channels at the axon initial segment. This attraction was, however, negligible at the most remote distal dendritic sites and was replaced by an effect due to high input resistance. Action potential onset occurred at the dendritic site of higher input resistance among a pair of remote dendritic sites, irrespective of which of these two sites received the synaptic input. Exploration of the parameter space showed how the gradient of voltage-gated channel densities and input resistances along a dendrite could draw the action potential onset away from the stimulation site. The attraction of action potential onset toward the higher density of voltage-gated channels in the soma during stimulation of the proximal dendrite was, however, reduced after the addition of synaptic noise. Copyright © 2012 IBRO. Published by Elsevier Ltd. All rights reserved.

Juvenile social experience affects pairing success at adulthood: congruence with the loser effect?

PubMed

Mariette, Mylene M; Cathaud, Charlène; Chambon, Rémi; Vignal, Clémentine

2013-09-22

Social interactions with adults are often critical for the development of mating behaviours. However, the potential role of other primary social partners such as juvenile counterparts is rarely considered. Most interestingly, it is not known whether interactions with juvenile females improve males' courtship and whether, similar to the winner and loser effects in a fighting context--outcome of these interactions shapes males' behaviour in future encounters. We investigated the combined effects of male quality and juvenile social experience on pairing success at adulthood in zebra finches (Taeniopygia guttata). We manipulated brood size to alter male quality and then placed males in either same- or mixed-sex juvenile dyads until adulthood. We found that males from reduced broods obtained more copulations and males from mixed-sex dyads had more complete courtships. Furthermore, independent of their quality, males that failed to pair with juvenile females, but not juvenile males, had a lower pairing success at adulthood. Our study shows that negative social experience with peers during adolescence may be a potent determinant of pairing success that can override the effects of early environmental conditions on male attractiveness and thereby supports the occurrence of an analogous process to the loser effect in a mating context.
Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation.

PubMed

Sterpone, Fabio; Nguyen, Phuong H; Kalimeri, Maria; Derreumaux, Philippe

2013-10-08

We have derived new effective interactions that improve the description of ion-pairs in the OPEP coarse-grained force field without introducing explicit electrostatic terms. The iterative Boltzmann inversion method was used to extract these potentials from all atom simulations by targeting the radial distribution function of the distance between the center of mass of the side-chains. The new potentials have been tested on several systems that differ in structural properties, thermodynamic stabilities and number of ion-pairs. Our modeling, by refining the packing of the charged amino-acids, impacts the stability of secondary structure motifs and the population of intermediate states during temperature folding/unfolding; it also improves the aggregation propensity of peptides. The new version of the OPEP force field has the potentiality to describe more realistically a large spectrum of situations where salt-bridges are key interactions.
Temperature dependent structural and vibrational properties of liquid indium

NASA Astrophysics Data System (ADS)

Patel, A. B.; Bhatt, N. K.

2018-05-01

The influence of the temperature effect on both the structure factor and the phonon dispersion relation of liquid indium have been investigated by means of pseudopotential theory. The Percus-Yevick Hard Sphere reference system is applied to describe the structural calculation. The effective electron-ion interaction is explained by using modified empty core potential due to Hasegawa et al. along with a local field correction function due to Ichimaru-Utsumi (IU). The temperature dependence of pair potential needed at higher temperatures was achieved by multiplying the damping factor exp(- π/kBT2k F r ) in the pair potential. Very close agreement of static structure factor, particularly, at elevated temperatures confirms the validity of the local potential. A positive dispersion is found in low-q region and the correct trend of phonon dispersion branches like the experimental; shows all broad features of collective excitations in liquid metals.
Superconductivity and spin-orbit coupling in non-centrosymmetric materials: a review

NASA Astrophysics Data System (ADS)

Smidman, M.; Salamon, M. B.; Yuan, H. Q.; Agterberg, D. F.

2017-03-01

In non-centrosymmetric superconductors, where the crystal structure lacks a centre of inversion, parity is no longer a good quantum number and an electronic antisymmetric spin-orbit coupling (ASOC) is allowed to exist by symmetry. If this ASOC is sufficiently large, it has profound consequences on the superconducting state. For example, it generally leads to a superconducting pairing state which is a mixture of spin-singlet and spin-triplet components. The possibility of such novel pairing states, as well as the potential for observing a variety of unusual behaviors, led to intensive theoretical and experimental investigations. Here we review the experimental and theoretical results for superconducting systems lacking inversion symmetry. Firstly we give a conceptual overview of the key theoretical results. We then review the experimental properties of both strongly and weakly correlated bulk materials, as well as two dimensional systems. Here the focus is on evaluating the effects of ASOC on the superconducting properties and the extent to which there is evidence for singlet-triplet mixing. This is followed by a more detailed overview of theoretical aspects of non-centrosymmetric superconductivity. This includes the effects of the ASOC on the pairing symmetry and the superconducting magnetic response, magneto-electric effects, superconducting finite momentum pairing states, and the potential for non-centrosymmetric superconductors to display topological superconductivity.
Medium effects in λK+ pair production by 2.83 GeV protons on nuclei

NASA Astrophysics Data System (ADS)

Paryev, E. Ya.; Hartmann, M.; Kiselev, Yu. T.

2017-12-01

We study ΛK+ pair production in the interaction of protons of 2.83 GeV kinetic energy with C, Cu, Ag, and Au target nuclei in the framework of the nuclear spectral function approach for incoherent primary proton-nucleon and secondary pion-nucleon production processes, and processes associated with the creation of intermediate Σ0K+ pairs. The approach accounts for the initial proton and final Λ hyperon absorption, final K+ meson distortion in nuclei, target nucleon binding, and Fermi motion, as well as nuclear mean-field potential effects on these processes. We calculate the Λ momentum dependence of the absolute ΛK+ yield from the target nuclei considered, in the kinematical conditions of the ANKE experiment, performed at COSY, within the different scenarios for the Λ-nucleus effective scalar potential. We show that the above observable is appreciably sensitive to this potential in the low-momentum region. Therefore, direct comparison of the results of our calculations with the data from the ANKE-at-COSY experiment can help to determine the above potential at finite momenta. We also demonstrate that the two-step pion-nucleon production channels dominate in the low-momentum ΛK+ production in the chosen kinematics and, therefore, they have to be taken into account in the analysis of these data. Supported by the Ministry of Education and Science of the Russian Federation
Let's stay together? Intrinsic and extrinsic factors involved in pair bond dissolution in a recolonizing wolf population.

PubMed

Milleret, Cyril; Wabakken, Petter; Liberg, Olof; Åkesson, Mikael; Flagstad, Øystein; Andreassen, Harry Peter; Sand, Håkan

2017-01-01

For socially monogamous species, breeder bond dissolution has important consequences for population dynamics, but the extent to which extrinsic or intrinsic population factors causes pair dissolution remain poorly understood, especially among carnivores. Using an extensive life-history data set, a survival analysis and competing risks framework, we examined the fate of 153 different wolf (Canis lupus) pairs in the recolonizing Scandinavian wolf population, during 14 winters of snow tracking and DNA monitoring. Wolf pair dissolution was generally linked to a mortality event and was strongly affected by extrinsic (i.e. anthropogenic) causes. No divorce was observed, and among the pair dissolution where causes have been identified, death of one or both wolves was always involved. Median time from pair formation to pair dissolution was three consecutive winters (i.e. approximately 2 years). Pair dissolution was mostly human-related, primarily caused by legal control actions (36·7%), verified poaching (9·2%) and traffic-related causes (2·1%). Intrinsic factors, such as disease and age, accounted for only 7·7% of pair dissolutions. The remaining 44·3% of dissolution events were from unknown causes, but we argue that a large portion could be explained by an additional source of human-caused mortality, cryptic poaching. Extrinsic population factors, such as variables describing the geographical location of the pair, had a stronger effect on risk of pair dissolution compared to anthropogenic landscape characteristics. Population intrinsic factors, such as the inbreeding coefficient of the male pair member, had a negative effect on pair bond duration. The mechanism behind this result remains unknown, but might be explained by lower survival of inbred males or more complex inbreeding effects mediated by behaviour. Our study provides quantitative estimates of breeder bond duration in a social carnivore and highlights the effect of extrinsic (i.e. anthropogenic) and intrinsic factors (i.e. inbreeding) involved in wolf pair bond duration. Unlike the effects of intrinsic and extrinsic factors that are commonly reported on individual survival or population growth, here we provide quantitative estimates of their potential effect on the social unit of the population, the wolf pair. © 2016 The Authors. Journal of Animal Ecology published by John Wiley & Sons Ltd on behalf of British Ecological Society.
Pairing-dependent superconductivity gap and nonholonomic Andreev reflection in Weyl semimetal/Weyl superconductor heterojunctions

NASA Astrophysics Data System (ADS)

Fang, Jun; Duan, Wenye; Liu, Junfeng; Zhang, Chao; Ma, Zhongshui

2018-04-01

We study superconductivity states mediated by the BCS and Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) pairings in superconducting Weyl semimetals. It is found that a mixture of BCS and FFLO pairings results in a distinctive double-gap structure for superconducting states. With a heterojunction of a Weyl semimetal and a superconducting Weyl semimetal, we demonstrate the nonholonomic Andreev reflection and show that the intra- and internode Andreev reflections increase at the edges of the effective gap. The influence of interface potentials on the Andreev reflections is investigated. The conductance spectra arising from the mixed superconducting pairings is also analyzed.
Binding in pair potentials of liquid simple metals from nonlocality in electronic kinetic energy

NASA Technical Reports Server (NTRS)

Perrot, F.; March, N. H.

1990-01-01

The paper presents an explicit expression for the pair potential in liquid simple metals from low-order density-gradient theory when the superposition of single-center displaced charges is employed. Numerical results are presented for the gradient expansion pair interaction in liquid Na and Be. The low-order density-gradient equation for the pair potential is presented.
Disruption of Magnetic Compass Orientation in Migratory Birds by Radiofrequency Electromagnetic Fields.

PubMed

Hiscock, Hamish G; Mouritsen, Henrik; Manolopoulos, David E; Hore, P J

2017-10-03

The radical-pair mechanism has been put forward as the basis of the magnetic compass sense of migratory birds. Some of the strongest supporting evidence has come from behavioral experiments in which birds exposed to weak time-dependent magnetic fields lose their ability to orient in the geomagnetic field. However, conflicting results and skepticism about the requirement for abnormally long quantum coherence lifetimes have cast a shroud of uncertainty over these potentially pivotal studies. Using a recently developed computational approach, we explore the effects of various radiofrequency magnetic fields on biologically plausible radicals within the theoretical framework of radical-pair magnetoreception. We conclude that the current model of radical-pair magnetoreception is unable to explain the findings of the reported behavioral experiments. Assuming that an unknown mechanism amplifies the predicted effects, we suggest experimental conditions that have the potential to distinguish convincingly between the two distinct families of radical pairs currently postulated as magnetic compass sensors. We end by making recommendations for experimental protocols that we hope will increase the chance that future experiments can be independently replicated. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.
Field Model: An Object-Oriented Data Model for Fields

NASA Technical Reports Server (NTRS)

Moran, Patrick J.

2001-01-01

We present an extensible, object-oriented data model designed for field data entitled Field Model (FM). FM objects can represent a wide variety of fields, including fields of arbitrary dimension and node type. FM can also handle time-series data. FM achieves generality through carefully selected topological primitives and through an implementation that leverages the potential of templated C++. FM supports fields where the nodes values are paired with any cell type. Thus FM can represent data where the field nodes are paired with the vertices ("vertex-centered" data), fields where the nodes are paired with the D-dimensional cells in R(sup D) (often called "cell-centered" data), as well as fields where nodes are paired with edges or other cell types. FM is designed to effectively handle very large data sets; in particular FM employs a demand-driven evaluation strategy that works especially well with large field data. Finally, the interfaces developed for FM have the potential to effectively abstract field data based on adaptive meshes. We present initial results with a triangular adaptive grid in R(sup 2) and discuss how the same design abstractions would work equally well with other adaptive-grid variations, including meshes in R(sup 3).
Phase-driven collapse of the Cooper condensate in a nanosized superconductor

NASA Astrophysics Data System (ADS)

Ronzani, Alberto; D'Ambrosio, Sophie; Virtanen, Pauli; Giazotto, Francesco; Altimiras, Carles

2017-12-01

Superconductivity can be understood in terms of a phase transition from an uncorrelated electron gas to a condensate of Cooper pairs in which the relative phases of the constituent electrons are coherent over macroscopic length scales. The degree of correlation is quantified by a complex-valued order parameter, whose amplitude is proportional to the strength of the pairing potential in the condensate. Supercurrent-carrying states are associated with nonzero values of the spatial gradient of the phase. The pairing potential and several physical observables of the Cooper condensate can be manipulated by means of temperature, current bias, dishomogeneities in the chemical composition, or application of a magnetic field. Here we show evidence of complete suppression of the energy gap in the local density of quasiparticle states (DOS) of a superconducting nanowire upon establishing a phase difference equal to π over a length scale comparable to the superconducting coherence length. These observations are consistent with a complete collapse of the pairing potential in the center of the wire, in accordance with theoretical modeling based on the quasiclassical theory of superconductivity in diffusive systems. Our spectroscopic data, fully exploring the phase-biased states of the condensate, highlight the profound effect that extreme phase gradients exert on the amplitude of the pairing potential. Moreover, the sharp magnetic response (up to 27 mV/Φ0) observed near the onset of the superconducting gap collapse regime is exploited to realize magnetic flux detectors with noise-equivalent resolution as low as 260 n Φ0/√{Hz} .
Influence of ion pairing in ionic liquids on electrical double layer structures and surface force using classical density functional approach.

PubMed

Ma, Ke; Forsman, Jan; Woodward, Clifford E

2015-05-07

We explore the influence of ion pairing in room temperature ionic liquids confined by planar electrode surfaces. Using a coarse-grained model for the aromatic ionic liquid [C4MIM(+)][BF4 (-)], we account for an ion pairing component as an equilibrium associating species within a classical density functional theory. We investigated the resulting structure of the electrical double layer as well as the ensuing surface forces and differential capacitance, as a function of the degree of ion association. We found that the short-range structure adjacent to surfaces was remarkably unaffected by the degree of ion pairing, up to several molecular diameters. This was even the case for 100% of ions being paired. The physical implications of ion pairing only become apparent in equilibrium properties that depend upon the long-range screening of charges, such as the asymptotic behaviour of surface forces and the differential capacitance, especially at low surface potential. The effect of ion pairing on capacitance is consistent with their invocation as a source of the anomalous temperature dependence of the latter. This work shows that ion pairing effects on equilibrium properties are subtle and may be difficult to extract directly from simulations.
Collaborative Enhancement of Endothelial Targeting of Nanocarriers by Modulating Platelet-Endothelial Cell Adhesion Molecule-1/CD31 Epitope Engagement.

PubMed

Chacko, Ann-Marie; Han, Jingyan; Greineder, Colin F; Zern, Blaine J; Mikitsh, John L; Nayak, Madhura; Menon, Divya; Johnston, Ian H; Poncz, Mortimer; Eckmann, David M; Davies, Peter F; Muzykantov, Vladimir R

2015-07-28

Nanocarriers (NCs) coated with antibodies (Abs) to extracellular epitopes of the transmembrane glycoprotein PECAM (platelet endothelial cell adhesion molecule-1/CD31) enable targeted drug delivery to vascular endothelial cells. Recent studies revealed that paired Abs directed to adjacent, yet distinct epitopes of PECAM stimulate each other's binding to endothelial cells in vitro and in vivo ("collaborative enhancement"). This phenomenon improves targeting of therapeutic fusion proteins, yet its potential role in targeting multivalent NCs has not been addressed. Herein, we studied the effects of Ab-mediated collaborative enhancement on multivalent NC spheres coated with PECAM Abs (Ab/NC, ∼180 nm diameter). We found that PECAM Abs do mutually enhance endothelial cell binding of Ab/NC coated by paired, but not "self" Ab. In vitro, collaborative enhancement of endothelial binding of Ab/NC by paired Abs is modulated by Ab/NC avidity, epitope selection, and flow. Cell fixation, but not blocking of endocytosis, obliterated collaborative enhancement of Ab/NC binding, indicating that the effect is mediated by molecular reorganization of PECAM molecules in the endothelial plasmalemma. The collaborative enhancement of Ab/NC binding was affirmed in vivo. Intravascular injection of paired Abs enhanced targeting of Ab/NC to pulmonary vasculature in mice by an order of magnitude. This stimulatory effect greatly exceeded enhancement of Ab targeting by paired Abs, indicating that '"collaborative enhancement"' effect is even more pronounced for relatively large multivalent carriers versus free Abs, likely due to more profound consequences of positive alteration of epitope accessibility. This phenomenon provides a potential paradigm for optimizing the endothelial-targeted nanocarrier delivery of therapeutic agents.
Juvenile social experience affects pairing success at adulthood: congruence with the loser effect?

PubMed Central

Mariette, Mylene M.; Cathaud, Charlène; Chambon, Rémi; Vignal, Clémentine

2013-01-01

Social interactions with adults are often critical for the development of mating behaviours. However, the potential role of other primary social partners such as juvenile counterparts is rarely considered. Most interestingly, it is not known whether interactions with juvenile females improve males’ courtship and whether, similar to the winner and loser effects in a fighting context—outcome of these interactions shapes males’ behaviour in future encounters. We investigated the combined effects of male quality and juvenile social experience on pairing success at adulthood in zebra finches (Taeniopygia guttata). We manipulated brood size to alter male quality and then placed males in either same- or mixed-sex juvenile dyads until adulthood. We found that males from reduced broods obtained more copulations and males from mixed-sex dyads had more complete courtships. Furthermore, independent of their quality, males that failed to pair with juvenile females, but not juvenile males, had a lower pairing success at adulthood. Our study shows that negative social experience with peers during adolescence may be a potent determinant of pairing success that can override the effects of early environmental conditions on male attractiveness and thereby supports the occurrence of an analogous process to the loser effect in a mating context. PMID:23902911
An interatomic pair potential for cadmium selenide

NASA Astrophysics Data System (ADS)

Rabani, Eran

2002-01-01

We have developed a set of interatomic pair potentials for cadmium selenide based on a form similar to the Born-Mayer model. We show that this simple form of the pair potential, which has been used to describe the properties of alkali halides in the sixfold-coordinate structure, provides a realistic description of the properties of cadmium selenide in all three crystal structures: wurtzite, zinc blende, and rocksalt. Using the new pair potential we have studied the pressure-induced phase transition from the fourfold-coordinate wurtzite structure to the sixfold-coordinate rocksalt structure. The pressure transformation and the equation of state are in good agreement with experimental observations. Using the dispersion term in our pair potential we have also calculated the Hamaker constant for cadmium selenide within the framework of the original microscopic approach due to Hamaker. The results indicate that for ionic materials many-body terms that are included in the Lifshitz theory are well captured by the simple pair potential.
Indirect genetic effects from competition in the clonal herb Sedum album (Crassulaceae).

PubMed

Andersson, Stefan

2014-01-01

Recent years have seen increasing interest in indirect genetic effects, i.e. influences on the phenotype that depend on the genotype of other conspecific individuals; however, the empirical evidence for such effects is still limited, especially in wild plant species. The present study of the clonal herb Sedum album assessed direct and indirect genetic effects on performance-related traits in a 4-year experiment with clonally replicated genotypes, grown in pairs and differing in anthocyanin pigmentation to allow separation of individuals during data collection. In agreement with the existence of indirect genetic effects, the experimentally-paired plants not only expressed their own genotype but were also affected by the genotype of their pair mate. The effect of neighbour genotype explained up to one-fourth of the variation in performance and most likely resulted from competition, imposed by the close physical contact between paired individuals and the limiting conditions used in the garden environment. Indirect genetic effects from competition have the potential to enhance the efficacy of group-level selection relative to individual selection, given the nutrient-poor and spatially-confined substrate available to plants of S. album in the natural habitat.
Evaluation of interatomic potentials for rainbow scattering under axial channeling at KCl(0 0 1) surface by three-dimensional computer simulations based on binary collision approximation

NASA Astrophysics Data System (ADS)

Takeuchi, Wataru

2017-05-01

The rainbow angles corresponding to prominent peaks in the angular distributions of scattered projectiles with small angle, attributed to rainbow scattering (RS), under axial surface channeling conditions are strongly influenced by the interatomic potentials between projectiles and target atoms. The dependence of rainbow angles on normal energy of projectile energy to the target surface, being experimentally obtained by Specht et al. for RS of He, N, Ne and Ar atoms under <1 0 0> and <1 1 0> axial channeling conditions at a KCl(0 0 1) surface with projectile energies of 1-60 keV, was evaluated by the three-dimensional computer simulations using the ACOCT code based on the binary collision approximation with interatomic pair potentials. Good agreement between the ACOCT results using the ZBL pair potential and the individual pair potentials calculated from Hartree-Fock (HF) wave functions and the experimental ones was found for RS of He, N and Ne atoms from the atomic rows along <1 0 0> direction. For <1 1 0> direction, the ACOCT results employing the Moliere pair potential with adjustable screening length of O'Connor-Biersack (OB) formula, the ZBL pair potential and the individual HF pair potentials except for Ar → KCl using the OB pair potential are nearly in agreement with the experimental ones.
Assessing Student Expertise in Introductory Physics with Isomorphic Problems. II. Effect of Some Potential Factors on Problem Solving and Transfer

ERIC Educational Resources Information Center

Chandralekha; Singh

2008-01-01

In this paper, we explore the use of isomorphic problem pairs (IPPs) to assess introductory physics students' ability to solve and successfully transfer problem-solving knowledge from one context to another in mechanics. We call the paired problems "isomorphic" because they require the same physics principle to solve them. We analyze written…
Reduced atomic pair-interaction design (RAPID) model for simulations of proteins.

PubMed

Ni, Boris; Baumketner, Andrij

2013-02-14

Increasingly, theoretical studies of proteins focus on large systems. This trend demands the development of computational models that are fast, to overcome the growing complexity, and accurate, to capture the physically relevant features. To address this demand, we introduce a protein model that uses all-atom architecture to ensure the highest level of chemical detail while employing effective pair potentials to represent the effect of solvent to achieve the maximum speed. The effective potentials are derived for amino acid residues based on the condition that the solvent-free model matches the relevant pair-distribution functions observed in explicit solvent simulations. As a test, the model is applied to alanine polypeptides. For the chain with 10 amino acid residues, the model is found to reproduce properly the native state and its population. Small discrepancies are observed for other folding properties and can be attributed to the approximations inherent in the model. The transferability of the generated effective potentials is investigated in simulations of a longer peptide with 25 residues. A minimal set of potentials is identified that leads to qualitatively correct results in comparison with the explicit solvent simulations. Further tests, conducted for multiple peptide chains, show that the transferable model correctly reproduces the experimentally observed tendency of polyalanines to aggregate into β-sheets more strongly with the growing length of the peptide chain. Taken together, the reported results suggest that the proposed model could be used to succesfully simulate folding and aggregation of small peptides in atomic detail. Further tests are needed to assess the strengths and limitations of the model more thoroughly.
Botulinum Toxin Injections Reduce Associative Plasticity in Patients with Primary Dystonia

PubMed Central

Kojovic, Maja; Caronni, Antonio; Bologna, Matteo; Rothwell, John C.; Bhatia, Kailash P.; Edwards, Mark J.

2014-01-01

Botulinum toxin injections ameliorate dystonic symptoms by blocking the neuromuscular junction and weakening dystonic contractions. We asked if botulinum toxin injections in dystonia patients might also affect the integrity of sensorimotor cortical plasticity, one of the key pathophysiological features of dystonia. We applied a paired associative stimulation protocol, known to induce long-term potentiation–like changes in the primary motor cortex hand area to 12 patients with cervical dystonia before and 1 and 3 months after botulinum toxin injections to the neck muscles. Primary motor cortex excitability was probed by measuring transcranial magnetic stimulation-evoked motor evoked potentials before and after paired associative stimulation. We also measured the input–output curve, short-interval intracortical inhibition, intracortical facilitation, short afferent inhibition, and long afferent inhibition in hand muscles and the clinical severity of dystonia. Before botulinum toxin injections, paired associative stimulation significantly facilitated motor evoked potentials in hand muscles. One month after injections, this effect was abolished, with partial recovery after 3 months. There were significant positive correlations between the facilitation produced by paired associative stimulation and (1) the time elapsed since botulinum toxin injections and (2) the clinical dystonia score. One effect of botulinum toxin injection treatment is to modulate afferent input from the neck. We propose that subsequent reorganization of the motor cortex representation of hand muscles may explain the effect of botulinum toxin on motor cortical plasticity. PMID:21469207

Kosterlitz-Thouless transition and vortex-antivortex lattice melting in two-dimensional Fermi gases with p - or d -wave pairing

NASA Astrophysics Data System (ADS)

Cao, Gaoqing; He, Lianyi; Huang, Xu-Guang

2017-12-01

We present a theoretical study of the finite-temperature Kosterlitz-Thouless (KT) and vortex-antivortex lattice (VAL) melting transitions in two-dimensional Fermi gases with p - or d -wave pairing. For both pairings, when the interaction is tuned from weak to strong attractions, we observe a quantum phase transition from the Bardeen-Cooper-Schrieffer (BCS) superfluidity to the Bose-Einstein condensation (BEC) of difermions. The KT and VAL transition temperatures increase during this BCS-BEC transition and approach constant values in the deep BEC region. The BCS-BEC transition is characterized by the nonanalyticities of the chemical potential, the superfluid order parameter, and the sound velocities as functions of the interaction strength at both zero and finite temperatures; however, the temperature effect tends to weaken the nonanalyticities compared to the zero-temperature case. The effect of mismatched Fermi surfaces on the d -wave pairing is also studied.
High-Voltage-Input Level Translator Using Standard CMOS

NASA Technical Reports Server (NTRS)

Yager, Jeremy A.; Mojarradi, Mohammad M.; Vo, Tuan A.; Blalock, Benjamin J.

2011-01-01

proposed integrated circuit would translate (1) a pair of input signals having a low differential potential and a possibly high common-mode potential into (2) a pair of output signals having the same low differential potential and a low common-mode potential. As used here, "low" and "high" refer to potentials that are, respectively, below or above the nominal supply potential (3.3 V) at which standard complementary metal oxide/semiconductor (CMOS) integrated circuits are designed to operate. The input common-mode potential could lie between 0 and 10 V; the output common-mode potential would be 2 V. This translation would make it possible to process the pair of signals by use of standard 3.3-V CMOS analog and/or mixed-signal (analog and digital) circuitry on the same integrated-circuit chip. A schematic of the circuit is shown in the figure. Standard 3.3-V CMOS circuitry cannot withstand input potentials greater than about 4 V. However, there are many applications that involve low-differential-potential, high-common-mode-potential input signal pairs and in which standard 3.3-V CMOS circuitry, which is relatively inexpensive, would be the most appropriate circuitry for performing other functions on the integrated-circuit chip that handles the high-potential input signals. Thus, there is a need to combine high-voltage input circuitry with standard low-voltage CMOS circuitry on the same integrated-circuit chip. The proposed circuit would satisfy this need. In the proposed circuit, the input signals would be coupled into both a level-shifting pair and a common-mode-sensing pair of CMOS transistors. The output of the level-shifting pair would be fed as input to a differential pair of transistors. The resulting differential current output would pass through six standoff transistors to be mirrored into an output branch by four heterojunction bipolar transistors. The mirrored differential current would be converted back to potential by a pair of diode-connected transistors, which, by virtue of being identical to the input transistors, would reproduce the input differential potential at the output
The electrostatic characteristics of G·U wobble base pairs

PubMed Central

Xu, Darui; Landon, Theresa; Greenbaum, Nancy L.; Fenley, Marcia O.

2007-01-01

G·U wobble base pairs are the most common and highly conserved non-Watson–Crick base pairs in RNA. Previous surface maps imply uniformly negative electrostatic potential at the major groove of G·U wobble base pairs embedded in RNA helices, suitable for entrapment of cationic ligands. In this work, we have used a Poisson–Boltzmann approach to gain a more detailed and accurate characterization of the electrostatic profile. We found that the major groove edge of an isolated G·U wobble displays distinctly enhanced negativity compared with standard GC or AU base pairs; however, in the context of different helical motifs, the electrostatic pattern varies. G·U wobbles with distinct widening have similar major groove electrostatic potentials to their canonical counterparts, whereas those with minimal widening exhibit significantly enhanced electronegativity, ranging from 0.8 to 2.5 kT/e, depending upon structural features. We propose that the negativity at the major groove of G·U wobble base pairs is determined by the combined effect of the base atoms and the sugar-phosphate backbone, which is impacted by stacking pattern and groove width as a result of base sequence. These findings are significant in that they provide predictive power with respect to which G·U sites in RNA are most likely to bind cationic ligands. PMID:17526525
Comparative Analysis of Compatibility Effects on Invigorating Blood Circulation for Cyperi Rhizoma Series of Herb Pairs Using Untargeted Metabolomics

PubMed Central

Liu, Pei; Shang, Er-Xin; Zhu, Yue; Yu, Jin-Gao; Qian, Da-Wei; Duan, Jin-Ao

2017-01-01

The mutual-assistance compatibility of Cyperi Rhizoma (Xiangfu, XF) and Angelicae Sinensis Radix (Danggui, DG), Chuanxiong Rhizoma (Chuanxiong, CX), Paeoniae Radix Alba (Baishao, BS), or Corydalis Rhizoma (Yanhusuo, YH), found in a traditional Chinese medicine (TCM) named Xiang-Fu-Si-Wu Decoction (XFSWD), can produce synergistic and promoting blood effects. Nowadays, XFSWD has been proved to be effective in activating blood circulation and dissipating blood stasis. However, the role of the herb pairs synergistic effects in the formula were poorly understood. In order to quantitatively assess the compatibility effects of herb pairs, mass spectrometry-based untargeted metabolomics studies were performed. The plasma and urine metabolic profiles of acute blood stasis rats induced by adrenaline hydrochloride and ice water and administered with Cyperi Rhizoma—Angelicae Sinensis Radix (XD), Cyperi Rhizoma—Chuanxiong Rhizoma (XC), Cyperi Rhizoma—Paeoniae Radix Alba (XB), Cyperi Rhizoma—Corydalis Rhizoma (XY) were compared. Relative peak area of identified metabolites was calculated and principal component analysis (PCA) score plot from the potential markers was used to visualize the overall differences. Then, the metabolites results were used with biochemistry indicators and genes expression values as parameters to quantitatively evaluate the compatibility effects of XF series of herb pairs by PCA and correlation analysis. The collective results indicated that the four XF herb pairs regulated glycerophospholipid metabolism, steroid hormone biosynthesis and arachidonic acid metabolism pathway. XD was more prominent in regulating the blood stasis during the four XF herb pairs. This study demonstrated that metabolomics was a useful tool to efficacy evaluation and compatibility effects of TCM elucidation. PMID:29018346
Effective equilibrium states in mixtures of active particles driven by colored noise

NASA Astrophysics Data System (ADS)

Wittmann, René; Brader, J. M.; Sharma, A.; Marconi, U. Marini Bettolo

2018-01-01

We consider the steady-state behavior of pairs of active particles having different persistence times and diffusivities. To this purpose we employ the active Ornstein-Uhlenbeck model, where the particles are driven by colored noises with exponential correlation functions whose intensities and correlation times vary from species to species. By extending Fox's theory to many components, we derive by functional calculus an approximate Fokker-Planck equation for the configurational distribution function of the system. After illustrating the predicted distribution in the solvable case of two particles interacting via a harmonic potential, we consider systems of particles repelling through inverse power-law potentials. We compare the analytic predictions to computer simulations for such soft-repulsive interactions in one dimension and show that at linear order in the persistence times the theory is satisfactory. This work provides the toolbox to qualitatively describe many-body phenomena, such as demixing and depletion, by means of effective pair potentials.
Probing Long-Range Neutrino-Mediated Forces with Atomic and Nuclear Spectroscopy.

PubMed

Stadnik, Yevgeny V

2018-06-01

The exchange of a pair of low-mass neutrinos between electrons, protons, and neutrons produces a "long-range" 1/r^{5} potential, which can be sought for in phenomena originating on the atomic and subatomic length scales. We calculate the effects of neutrino-pair exchange on transition and binding energies in atoms and nuclei. In the case of atomic s-wave states, there is a large enhancement of the induced energy shifts due to the lack of a centrifugal barrier and the highly singular nature of the neutrino-mediated potential. We derive limits on neutrino-mediated forces from measurements of the deuteron binding energy and transition energies in positronium, muonium, hydrogen, and deuterium, as well as isotope-shift measurements in calcium ions. Our limits improve on existing constraints on neutrino-mediated forces from experiments that search for new macroscopic forces by 18 orders of magnitude. Future spectroscopy experiments have the potential to probe long-range forces mediated by the exchange of pairs of standard-model neutrinos and other weakly charged particles.
Probing Long-Range Neutrino-Mediated Forces with Atomic and Nuclear Spectroscopy

NASA Astrophysics Data System (ADS)

Stadnik, Yevgeny V.

2018-06-01

The exchange of a pair of low-mass neutrinos between electrons, protons, and neutrons produces a "long-range" 1 /r5 potential, which can be sought for in phenomena originating on the atomic and subatomic length scales. We calculate the effects of neutrino-pair exchange on transition and binding energies in atoms and nuclei. In the case of atomic s -wave states, there is a large enhancement of the induced energy shifts due to the lack of a centrifugal barrier and the highly singular nature of the neutrino-mediated potential. We derive limits on neutrino-mediated forces from measurements of the deuteron binding energy and transition energies in positronium, muonium, hydrogen, and deuterium, as well as isotope-shift measurements in calcium ions. Our limits improve on existing constraints on neutrino-mediated forces from experiments that search for new macroscopic forces by 18 orders of magnitude. Future spectroscopy experiments have the potential to probe long-range forces mediated by the exchange of pairs of standard-model neutrinos and other weakly charged particles.
The interplay between screening properties and colloid anisotropy: towards a reliable pair potential for disc-like charged particles.

PubMed

Agra, R; Trizac, E; Bocquet, L

2004-12-01

The electrostatic potential of a highly charged disc (clay platelet) in an electrolyte is investigated in detail. The corresponding non-linear Poisson-Boltzmann (PB) equation is solved numerically, and we show that the far-field behaviour (relevant for colloidal interactions in dilute suspensions) is exactly that obtained within linearized PB theory, with the surface boundary condition of a uniform potential. The latter linear problem is solved by a new semi-analytical procedure and both the potential amplitude (quantified by an effective charge) and potential anisotropy coincide closely within PB and linearized PB, provided the disc bare charge is high enough. This anisotropy remains at all scales; it is encoded in a function that may vary over several orders of magnitude depending on the azimuthal angle under which the disc is seen. The results allow to construct a pair potential for discs interaction, that is strongly orientation dependent.
Can monaural temporal masking explain the ongoing precedence effect?

PubMed

Freyman, Richard L; Morse-Fortier, Charlotte; Griffin, Amanda M; Zurek, Patrick M

2018-02-01

The precedence effect for transient sounds has been proposed to be based primarily on monaural processes, manifested by asymmetric temporal masking. This study explored the potential for monaural explanations with longer ("ongoing") sounds exhibiting the precedence effect. Transient stimuli were single lead-lag noise burst pairs; ongoing stimuli were trains of 63 burst pairs. Unlike with transients, monaural masking data for ongoing sounds showed no advantage for the lead, and are inconsistent with asymmetric audibility as an explanation for ongoing precedence. This result, along with supplementary measurements of interaural time discrimination, suggests different explanations for transient and ongoing precedence.
Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.

NASA Astrophysics Data System (ADS)

Plimpton, Steven James

Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal structures and their diffusion coefficients calculated. Good agreement is found with the dislocation pipe model for tilt boundary diffusion.
Exciton States in a Gaussian Confining Potential Well

NASA Astrophysics Data System (ADS)

Xie, Wen-Fang; Gu, Juan

2003-11-01

We consider the problem of an electron-hole pair in a Gaussian confining potential well. This problem is treated within the effective-mass approximation framework using the method of numerical matrix diagonalization. The energy levels of the low-lying states are calculated as a function of the electron-hole effective mass ratio and the size of the confining potential. The project supported by National Natural Science Foundation of China under Grant No. 10275014
Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation

NASA Astrophysics Data System (ADS)

Sanyal, Tanmoy; Shell, M. Scott

2016-07-01

Bottom-up multiscale techniques are frequently used to develop coarse-grained (CG) models for simulations at extended length and time scales but are often limited by a compromise between computational efficiency and accuracy. The conventional approach to CG nonbonded interactions uses pair potentials which, while computationally efficient, can neglect the inherently multibody contributions of the local environment of a site to its energy, due to degrees of freedom that were coarse-grained out. This effect often causes the CG potential to depend strongly on the overall system density, composition, or other properties, which limits its transferability to states other than the one at which it was parameterized. Here, we propose to incorporate multibody effects into CG potentials through additional nonbonded terms, beyond pair interactions, that depend in a mean-field manner on local densities of different atomic species. This approach is analogous to embedded atom and bond-order models that seek to capture multibody electronic effects in metallic systems. We show that the relative entropy coarse-graining framework offers a systematic route to parameterizing such local density potentials. We then characterize this approach in the development of implicit solvation strategies for interactions between model hydrophobes in an aqueous environment.
Conditioned Place Preference to Acetone Inhalation and the Effects on Locomotor Behavior and 18FDG Uptake

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

Pai, J.C.; Dewey, S.L.; Schiffer, W.

Acetone is a component in many inhalants that have been widely abused. While other solvents have addictive potential, such as toluene, it is unclear whether acetone alone contains addictive properties. The locomotor, relative glucose metabolism and abusive effects of acetone inhalation were studied in animals using the conditioned place preference (CPP) paradigm and [18F]2-fluorodeoxy-D-glucose (18FDG) imaging. The CPP apparatus contains two distinct conditioning chambers and a middle adaptation chamber, each lined with photocells to monitor locomotor activity. Adolescent Sprague-Dawley rats (n=16; 90-110 g) were paired with acetone in least preferred conditioning chamber, determined on the pretest day. The animals weremore » exposed to a 10,000 ppm dose for an hour, alternating days with air. A CPP test was conducted after the 3rd, 6th and 12th pairing. In these same animals, the relative glucose metabolism effects were determined using positron emission tomography (PET) imaging with 18FDG. Following the 3rd pairing, there was a significant aversion to the acetone paired chamber (190.9 ± 13.7 sec and 241.7 ± 16.9 sec, acetone and air, respectively). After the 6th pairing, there was no significant preference observed with equal time spent in each chamber (222 ± 21 sec and 207 ± 20 sec, acetone and air-paired, respectively). A similar trend was observed after the 12th pairing (213 ± 21 sec and 221 ± 22 sec, acetone and air-paired, respectively). Locomotor analysis indicated a significant decrease (p<0.05) from air pairings to acetone pairings on the first and sixth pairings. The observed locomotor activity was characteristic of central nervous system (CNS) depressants, without showing clear abusive effects in this CPP model. In these studies, acetone vapors were not as reinforcing as other solvents, shown by overall lack of preference for the acetone paired side of the chamber. PET imaging indicated a regionally specific distribution of 18FDG uptake following acetone exposure. Further studies using different concentrations are required to better understand the locomotor and behavioral effects of acetone. This study confirms that the combination of microPET and the CPP paradigm can be used to elucidate the effects of abused solvents vs. non-abused solvents in inhalants.« less
Surface Andreev Bound States and Odd-Frequency Pairing in Topological Superconductor Junctions

NASA Astrophysics Data System (ADS)

Tanaka, Yukio; Tamura, Shun

2018-04-01

In this review, we summarize the achievement of the physics of surface Andreev bound states (SABS) up to now. The route of this activity has started from the physics of SABS of unconventional superconductors where the pair potential has a sign change on the Fermi surface. It has been established that SABS can be regarded as a topological edge state with topological invariant defined in the bulk Hamiltonian. On the other hand, SABS accompanies odd-frequency pairing like spin-triplet s-wave or spin-singlet p-wave. In a spin-triplet superconductor junction, induced odd-frequency pairing can penetrate into a diffusive normal metal (DN) attached to the superconductor. It causes so called anomalous proximity effect where the local density of states of quasiparticle in DN has a zero energy peak. When bulk pairing symmetry is spin-triplet px-wave, the anomalous proximity effect becomes prominent and the zero bias voltage conductance is always quantized independent of the resistance in DN and interface. Finally, we show that the present anomalous proximity effect is realized in an artificial topological superconducting system, where a nanowire with spin-orbit coupling and Zeeman field is put on the conventional spin-singlet s-wave superconductor.
Electrophysiological Correlates of Familiarity and Recollection in Associative Recognition: Contributions of Perceptual and Conceptual Processing to Unitization

PubMed Central

Li, Bingcan; Mao, Xinrui; Wang, Yujuan; Guo, Chunyan

2017-01-01

It is generally accepted that associative recognition memory is supported by recollection. In addition, recent research indicates that familiarity can support associative memory, especially when two items are unitized into a single item. Both perceptual and conceptual manipulations can be used to unitize items, but few studies have compared these two methods of unitization directly. In the present study, we investigated the effects of familiarity and recollection on successful retrieval of items that were unitized perceptually or conceptually. Participants were instructed to remember either a Chinese two-character compound or unrelated word-pairs, which were presented simultaneously or sequentially. Participants were then asked to recognize whether word-pairs were intact or rearranged. Event-related potential (ERP) recordings were performed during the recognition phase of the study. Two-character compounds were better discriminated than unrelated word-pairs and simultaneous presentation was found to elicit better discrimination than sequential presentation for unrelated word-pairs only. ERP recordings indicated that the early intact/rearranged effects (FN400), typically associated with familiarity, were elicited in compound word-pairs with both simultaneous and sequential presentation, and in simultaneously presented unrelated word-pairs, but not in sequentially presented unrelated word-pairs. In contrast, the late positive complex (LPC) effects associated with recollection were elicited in all four conditions. Together, these results indicate that while the engagement of familiarity in associative recognition is affected by both perceptual and conceptual unitization, conceptual unitization promotes a higher level of unitization (LOU). In addition, the engagement of recollection was not affected by unitized manipulations. It should be noted, however, that due to experimental design, the effects presented here may be due to semantic rather than episodic memory and future studies should take this into consideration when manipulating rearranged pairs. PMID:28400723
Pair Interaction of Dislocations in Two-Dimensional Crystals

NASA Astrophysics Data System (ADS)

Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.; von Grünberg, H. H.

2005-10-01

The pair interaction between crystal dislocations is systematically explored by analyzing particle trajectories of two-dimensional colloidal crystals measured by video microscopy. The resulting pair energies are compared to Monte Carlo data and to predictions derived from the standard Hamiltonian of the elastic theory of dislocations. Good agreement is found with respect to the distance and temperature dependence of the interaction potential, but not regarding the angle dependence where discrete lattice effects become important. Our results on the whole confirm that the dislocation Hamiltonian allows a quantitative understanding of the formation and interaction energies of dislocations in two-dimensional crystals.
Quantum Gravitational Force Between Polarizable Objects.

PubMed

Ford, L H; Hertzberg, Mark P; Karouby, J

2016-04-15

Since general relativity is a consistent low energy effective field theory, it is possible to compute quantum corrections to classical forces. Here we compute a quantum correction to the gravitational potential between a pair of polarizable objects. We study two distant bodies and compute a quantum force from their induced quadrupole moments due to two-graviton exchange. The effect is in close analogy to the Casimir-Polder and London-van der Waals forces between a pair of atoms from their induced dipole moments due to two photon exchange. The new effect is computed from the shift in vacuum energy of metric fluctuations due to the polarizability of the objects. We compute the potential energy at arbitrary distances compared to the wavelengths in the system, including the far and near regimes. In the far distance, or retarded, regime, the potential energy takes on a particularly simple form: V(r)=-3987ℏcG^{2}α_{1S}α_{2S}/(4πr^{11}), where α_{1S}, α_{2S} are the static gravitational quadrupole polarizabilities of each object. We provide estimates of this effect.
On the applicability of density dependent effective interactions in cluster-forming systems

NASA Astrophysics Data System (ADS)

Montes-Saralegui, Marta; Kahl, Gerhard; Nikoubashman, Arash

2017-02-01

We systematically studied the validity and transferability of the force-matching algorithm for computing effective pair potentials in a system of dendritic polymers, i.e., a particular class of ultrasoft colloids. We focused on amphiphilic dendrimers, macromolecules which can aggregate into clusters of overlapping particles to minimize the contact area with the surrounding implicit solvent. Simulations were performed for both the monomeric and coarse-grained models in the liquid phase at densities ranging from infinite dilution up to values close to the freezing point. The effective pair potentials for the coarse-grained simulations were computed from the monomeric simulations both in the zero-density limit (Φeff0) and at each investigated finite density (Φeff). Conducting the coarse-grained simulations with Φeff0 at higher densities is not appropriate as they failed at reproducing the structural properties of the monomeric simulations. In contrast, we found excellent agreement between the spatial dendrimer distributions obtained from the coarse-grained simulations with Φeff and the microscopically detailed simulations at low densities, where the macromolecules were distributed homogeneously in the system. However, the reliability of the coarse-grained simulations deteriorated significantly as the density was increased further and the cluster occupation became more polydisperse. Under these conditions, the effective pair potential of the coarse-grained model can no longer be computed by averaging over the whole system, but the local density needs to be taken into account instead.
Electrostatic screening in classical Coulomb fluids: exponential or power-law decay or both? An investigation into the effect of dispersion interactions

NASA Astrophysics Data System (ADS)

Kjellander, Roland

2006-04-01

It is shown that the nature of the non-electrostatic part of the pair interaction potential in classical Coulomb fluids can have a profound influence on the screening behaviour. Two cases are compared: (i) when the non-electrostatic part equals an arbitrary finite-ranged interaction and (ii) when a dispersion r-6 interaction potential is included. A formal analysis is done in exact statistical mechanics, including an investigation of the bridge function. It is found that the Coulombic r-1 and the dispersion r-6 potentials are coupled in a very intricate manner as regards the screening behaviour. The classical one-component plasma (OCP) is a particularly clear example due to its simplicity and is investigated in detail. When the dispersion r-6 potential is turned on, the screened electrostatic potential from a particle goes from a monotonic exponential decay, exp(-κr)/r, to a power-law decay, r-8, for large r. The pair distribution function acquire, at the same time, an r-10 decay for large r instead of the exponential one. There still remains exponentially decaying contributions to both functions, but these contributions turn oscillatory when the r-6 interaction is switched on. When the Coulomb interaction is turned off but the dispersion r-6 pair potential is kept, the decay of the pair distribution function for large r goes over from the r-10 to an r-6 behaviour, which is the normal one for fluids of electroneutral particles with dispersion interactions. Differences and similarities compared to binary electrolytes are pointed out.
Lindane blocks GABAA-mediated inhibition and modulates pyramidal cell excitability in the rat hippocampal slice.

PubMed

Joy, R M; Walby, W F; Stark, L G; Albertson, T E

1995-01-01

An in vitro paired-pulse orthodromic stimulation technique was used to examine the effects of lindane on excitatory afferent terminals, CA1 pyramidal cells and recurrent collateral evoked inhibition in the rat hippocampal slice. This was done to establish simultaneous effects on a simple neural network and to develop procedures for more detailed analyses of the effects of lindane. Hippocampal slices 400 microns thick were perfused with oxygenated artificial cerebrospinal fluid. Electrodes were placed in the CA1 region to record extracellular population spike (PS) or excitatory postsynaptic potential (EPSP) responses to stimulation of Schaffer collateral/commissural (SC/C) fibers. Gamma-aminobutyric acid (GABA)-mediated recurrent inhibition was measured using a paired-pulse technique. Perfusion with lindane produced both time and dose dependent changes in a number of the responses measured. The most striking effect produced by lindane was the loss of GABAA-mediated recurrent collateral inhibition. This tended to occur rapidly, often before changes in EPSP or PS responses could be detected. With longer exposures to lindane, repetitive discharge of pyramidal cells developed resulting in multiple PSs to single stimuli. Lindane (50 microM) also completely reversed the effects of the injectable anesthetic, propofol, a compound known to potentiate GABAA-mediated inhibition via a direct action on the GABAA receptor-chloride channel complex. An analysis of input/output relationships at varying stimulus intensities showed that lindane increased EPSP and PS response amplitudes at any given stimulus intensity resulting in a leftward shift in the EPSP amplitude/stimulus intensity, PS amplitude/stimulus intensity and PS amplitude/EPSP amplitude relationships. This effect was most noticeable with low intensity stimuli and became progressively less so as stimulus intensities approached those yielding maximal responses. In addition lindane significantly increased paired pulse facilitation of EPSPs during paired stimulus presentation.

Hidden in Plain Sight: Subtle Effects of the 8-Oxoguanine Lesion on the Structure, Dynamics, and Thermodynamics of a 15-Base-Pair Oligodeoxynucleotide Duplex†

PubMed Central

Crenshaw, Charisse M.; Wade, Jacqueline E.; Arthanari, Haribabu; Frueh, Dominique; Lane, Benjamin F.; Núñez, Megan E.

2011-01-01

The base lesion 8-oxoguanine is formed readily by oxidation of DNA, potentially leading to G→T transversion mutations. Despite the apparent similarity of 8-oxoguanine-cytosine base pairs to normal guanine-cytosine base pairs, cellular base excision repair systems effectively recognize the lesion base. Here we apply several techniques to examine a single 8-oxoguanine lesion at the center of a nonpalindromic 15-mer duplex oligonucleotide in an effort to determine what, if anything, distinguishes an 8-oxoguanine-cytosine base pair from a normal base pair. The lesion duplex is globally almost indistinguishable from the unmodified parent duplex using CD spectroscopy and UV melting thermodynamics. The DNA mismatch-detecting photocleavage agent Rh(bpy)2chrysi3+ cleaves only weakly and nonspecifically, revealing that the 8oxoG-C pair is locally stable at the level of the individual base pairs. NMR spectra are also consistent with a well-conserved B-form duplex structure. In the 2D NOESY spectra, base-sugar and imino-imino crosspeaks are strikingly similar between parent and lesion duplexes. Changes in chemical shift due to the 8oxoG lesion are localized to its complementary cytosine and to the 2–3 base pairs immediately flanking the lesion on the lesion strand. Residues further removed from the lesion are shown to be unperturbed by its presence. Notably, imino exchange experiments indicate that the 8-oxoguanine-cytosine pair is strong and stable, with an apparent equilibrium constant for opening equal to that of other internal guanine-cytosine base pairs, on the order of 10−6. This collection of experiments shows that the 8-oxoguanine-cytosine base pair is incredibly stable and similar to the native pair. PMID:21902242
A sensitivity analysis for missing outcomes due to truncation by death under the matched-pairs design.

PubMed

Imai, Kosuke; Jiang, Zhichao

2018-04-29

The matched-pairs design enables researchers to efficiently infer causal effects from randomized experiments. In this paper, we exploit the key feature of the matched-pairs design and develop a sensitivity analysis for missing outcomes due to truncation by death, in which the outcomes of interest (e.g., quality of life measures) are not even well defined for some units (e.g., deceased patients). Our key idea is that if 2 nearly identical observations are paired prior to the randomization of the treatment, the missingness of one unit's outcome is informative about the potential missingness of the other unit's outcome under an alternative treatment condition. We consider the average treatment effect among always-observed pairs (ATOP) whose units exhibit no missing outcome regardless of their treatment status. The naive estimator based on available pairs is unbiased for the ATOP if 2 units of the same pair are identical in terms of their missingness patterns. The proposed sensitivity analysis characterizes how the bounds of the ATOP widen as the degree of the within-pair similarity decreases. We further extend the methodology to the matched-pairs design in observational studies. Our simulation studies show that informative bounds can be obtained under some scenarios when the proportion of missing data is not too large. The proposed methodology is also applied to the randomized evaluation of the Mexican universal health insurance program. An open-source software package is available for implementing the proposed research. Copyright © 2018 John Wiley & Sons, Ltd.
Ion Streaming Instabilities in Pair Ion Plasma and Localized Structure with Non-Thermal Electrons

NASA Astrophysics Data System (ADS)

Nasir Khattak, M.; Mushtaq, A.; Qamar, A.

2015-12-01

Pair ion plasma with a fraction of non-thermal electrons is considered. We investigate the effects of the streaming motion of ions on linear and nonlinear properties of unmagnetized, collisionless plasma by using the fluid model. A dispersion relation is derived, and the growth rate of streaming instabilities with effect of streaming motion of ions and non-thermal electrons is calculated. A qausi-potential approach is adopted to study the characteristics of ion acoustic solitons. An energy integral equation involving Sagdeev potential is derived during this process. The presence of the streaming term in the energy integral equation affects the structure of the solitary waves significantly along with non-thermal electrons. Possible application of the work to the space and laboratory plasmas are highlighted.
Barriers to implementing protocols for kidney paired donation and desensitization: survey of U.S. transplant programs.

PubMed

Clark, Emma; Hanto, Ruthanne; Rodrigue, James R

2010-12-01

Special types of kidney transplant exist for patients who have willing but incompatible donors. Two types of transplants that circumvent donor-recipient incompatibility are "kidney paired donation" and "desensitization." Lack of access to these protocols limits living donations and shortens the life span of patients with willing but incompatible donors. To understand potential barriers to implementing kidney paired donation and desensitization, as well as attitudes toward nondirected donation and compatible type O donation, which would maximize the number of kidney paired donation transplants performed via chains. We created a 56-question Web-based survey to elicit information from US transplant program directors about 24 potential barriers to implementing these protocols. Of 166 programs contacted, 96 responded, including 88 complete and 8 partial responses. After pediatric-only programs and multiple responses from the same program were removed, 84 total (78 complete) remained. Respondents were asked to designate each barrier as "major," "minor," or "not a barrier". Availability of dedicated nurse coordinators and the United Network for Organ Sharing's variance request process (although kidney paired donation does not actually require a variance) were significant barriers to kidney paired donation. Most respondents (54%, 42/78) would prefer to participate in a regional rather than a national protocol for kidney paired donation. Risk of complications was the most significant barrier to desensitization. University affiliation, region, and training (nephrologist vs surgeon) had little effect on perception of barriers. Most (92%, 71/78) would evaluate nondirected donations; 53% (41/78) would encourage compatible type O donors to enter kidney paired donation.
Does a College Education Reduce Depressive Symptoms in American Young Adults?

PubMed Central

McFarland, Michael J.; Wagner, Brandon G.

2015-01-01

Higher levels of educational attainment are consistently associated with better mental health. Whether this association represents an effect of education on mental health, however, is less clear as omitted variable bias remains a pressing concern with education potentially serving as a proxy for unobserved factors including family background and genetics. To combat this threat and come closer to a causal estimate of the effect of education on depressive symptoms, this study uses data on 231 monozygotic twin pairs from The National Longitudinal Study of Adolescent to Adult Health and employs a twin-pair difference-in-difference design to account for both unobserved shared factors between twin pairs (e.g. home, school, and neighborhood environment throughout childhood) and a number of observed non-shared but theoretically relevant factors (e.g. cognitive ability, personality characteristics, adolescent health). We find an inverse association between possessing a college degree and depressive symptoms in both conventional and difference-in-difference models. Results of this study also highlight the potentially overlooked role of personality characteristics in the education and mental health literature. PMID:26513116
Does a college education reduce depressive symptoms in American young adults?

PubMed

McFarland, Michael J; Wagner, Brandon G

2015-12-01

Higher levels of educational attainment are consistently associated with better mental health. Whether this association represents an effect of education on mental health, however, is less clear as omitted variable bias remains a pressing concern with education potentially serving as a proxy for unobserved factors including family background and genetics. To combat this threat and come closer to a causal estimate of the effect of education on depressive symptoms, this study uses data on 231 monozygotic twin pairs from The National Longitudinal Study of Adolescent to Adult Health and employs a twin-pair difference-in-difference design to account for both unobserved shared factors between twin pairs (e.g. home, school, and neighborhood environment throughout childhood) and a number of observed non-shared but theoretically relevant factors (e.g. cognitive ability, personality characteristics, adolescent health). We find an inverse association between possessing a college degree and depressive symptoms in both conventional and difference-in-difference models. Results of this study also highlight the potentially overlooked role of personality characteristics in the education and mental health literature. Copyright © 2015 Elsevier Ltd. All rights reserved.
Moving heavy quarkonium entropy, effective string tension, and the QCD phase diagram

NASA Astrophysics Data System (ADS)

Chen, Xun; Feng, Sheng-Qin; Shi, Ya-Fei; Zhong, Yang

2018-03-01

The entropy and effective string tension of the moving heavy quark-antiquark pair in the strongly coupled plasmas are calculated by using a deformed an anti-de Sitter/Reissner-Nordström black hole metric. A sharp peak of the heavy-quarkonium entropy around the deconfinement transition can be realized in our model, which is consistent with the lattice QCD result. The effective string tension of the heavy quark-antiquark pair is related to the deconfinement phase transition. Thus, we investigate the deconfinement phase transition by analyzing the characteristics of the effective string tension with different temperatures, chemical potentials, and rapidities. It is found that the results of phase diagram calculated through effective string tension are in agreement with results calculated through a Polyakov loop. We argue that a moving system will reach the phase transition point at a lower temperature and chemical potential than a stationary system. It means that the lifetime of the moving quark-gluon plasma become longer than the static one.
Techniques for detecting effects of urban and rural land-use practices on stream-water chemistry in selected watersheds in Texas, Minnesota,and Illinois

USGS Publications Warehouse

Walker, J.F.

1993-01-01

Selected statistical techniques were applied to three urban watersheds in Texas and Minnesota and three rural watersheds in Illinois. For the urban watersheds, single- and paired-site data-collection strategies were considered. The paired-site strategy was much more effective than the singlesite strategy for detecting changes. Analysis of storm load regression residuals demonstrated the potential utility of regressions for variability reduction. For the rural watersheds, none of the selected techniques were effective at identifying changes, primarily due to a small degree of management-practice implementation, potential errors introduced through the estimation of storm load, and small sample sizes. A Monte Carlo sensitivity analysis was used to determine the percent change in water chemistry that could be detected for each watershed. In most instances, the use of regressions improved the ability to detect changes.
Effective fragment potential study of the interaction of DNA bases.

PubMed

Smith, Quentin A; Gordon, Mark S; Slipchenko, Lyudmila V

2011-10-20

Hydrogen-bonded and stacked structures of adenine-thymine and guanine-cytosine nucleotide base pairs, along with their methylated analogues, are examined with the ab inito based general effective fragment potential (EFP2) method. A comparison of coupled cluster with single, double, and perturbative triple (CCSD(T)) energies is presented, along with an EFP2 energy decomposition to illustrate the components of the interaction energy.
Species-Specific Detection of Mycosphaerella polygoni-cuspidati as a Biological Control Agent for Fallopia japonica by PCR Assay.

PubMed

Kurose, Daisuke; Furuya, Naruto; Saeki, Tetsuya; Tsuchiya, Kenichi; Tsushima, Seiya; Seier, Marion K

2016-10-01

The ascomycete fungus Mycosphaerella polygoni-cuspidati has been undergoing evaluation as a potential classical biological control agent for the invasive weed Fallopia japonica (Japanese knotweed), which has become troublesome in Europe and North America. In advance of the potential release of a biocontrol agent into a new environment, it is crucial to develop an effective monitoring system to enable the evaluation of agent establishment and dispersal within the target host population, as well as any potential attacks on non-target species. Therefore, a primer pair was designed for direct, rapid, and specific detection of the Japanese knotweed pathogen M. polygoni-cuspidati based on the sequences of the internal transcribed spacer regions including the 5.8S rDNA. A PCR product of approximately 298 bp was obtained only when the DNA extracted from mycelial fragments of M. polygoni-cuspidati was used. The lower limit of detection of the PCR method was 100 fg of genomic DNA. Using the specific primer pair, M. polygoni-cuspidati could be detected from both naturally and artificially infected Japanese knotweed plants. No amplification was observed for other Mycosphaerella spp. or fungal endophytes isolated from F. japonica. The designed primer pair is thus effective for the specific detection of M. polygoni-cuspidati in planta.
Quasichemical analysis of the cluster-pair approximation for the thermodynamics of proton hydration

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

Pollard, Travis; Beck, Thomas L.; Department of Physics, University of Cincinnati, Cincinnati, Ohio 45221

2014-06-14

A theoretical analysis of the cluster-pair approximation (CPA) is presented based on the quasichemical theory of solutions. The sought single-ion hydration free energy of the proton includes an interfacial potential contribution by definition. It is shown, however, that the CPA involves an extra-thermodynamic assumption that does not guarantee uniform convergence to a bulk free energy value with increasing cluster size. A numerical test of the CPA is performed using the classical polarizable AMOEBA force field and supporting quantum chemical calculations. The enthalpy and free energy differences are computed for the kosmotropic Na{sup +}/F{sup −} ion pair in water clusters ofmore » size n = 5, 25, 105. Additional calculations are performed for the chaotropic Rb{sup +}/I{sup −} ion pair. A small shift in the proton hydration free energy and a larger shift in the hydration enthalpy, relative to the CPA values, are predicted based on the n = 105 simulations. The shifts arise from a combination of sequential hydration and interfacial potential effects. The AMOEBA and quantum chemical results suggest an electrochemical surface potential of water in the range −0.4 to −0.5 V. The physical content of single-ion free energies and implications for ion-water force field development are also discussed.« less
CPM Pairs from LSPM so Far Not WDS Listed – Part IV

NASA Astrophysics Data System (ADS)

Knapp, Wilfried; Nanson, John

2018-04-01

The LSPM catalog (Lepine and Shara 2005) is a rich source for CPM pairs we thought already exhausted – but as we found during research for our report "A New Concept for Counter-Checking of Assumed CPM Pairs" (Knapp and Nanson 2017), there are still many potential CPM pairs indicated in LSPM not listed in the WDS catalog. After our first three reports on about 100 such objects (Knapp and Nanson 2017 - CPM pairs from LSPM so far not WDS listed – Part I/II/III), this report with 30 additional potential common proper motion pairs is presented here.
Pairing matrix elements and pairing gaps with bare, effective, and induced interactions

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

Barranco, F.; Bortignon, P.F.; Colo, G.

2005-11-01

The dependence on the single-particle states of the pairing matrix elements of the Gogny force and of the bare low-momentum nucleon-nucleon potential v{sub low-k}--designed so as to reproduce the low-energy observables avoiding the use of a repulsive core--is studied for a typical finite, superfluid nucleus ({sup 120}Sn). It is found that the matrix elements of v{sub low-k} follow closely those of v{sub Gogny} on a wide range of energy values around the Fermi energy e{sub F}, those associated with v{sub low-k} being less attractive. This result explains the fact that around e{sub F} the pairing gap {delta}{sub Gogny} associated withmore » the Gogny interaction (and with a density of single-particle levels corresponding to an effective k mass m{sub k}{approx_equal}0.7 m) is a factor of about 2 larger than {delta}{sub low-k}, being in agreement with {delta}{sub exp}=1.4 MeV. The exchange of low-lying collective surface vibrations among pairs of nucleons moving in time-reversal states gives rise to an induced pairing interaction v{sub ind} peaked at e{sub F}. The interaction (v{sub low-k}+v{sub ind}) Z{sub {omega}} arising from the renormalization of the bare nucleon-nucleon potential and of the single-particle motion ({omega}-mass and quasiparticle strength Z{sub {omega}}) associated with the particle-vibration coupling mechanism, leads to a value of the pairing gap at the Fermi energy {delta}{sub ren} that accounts for the experimental value. An important question that remains to be studied quantitatively is to what extent {delta}{sub Gogny}, which depends on average parameters, and {delta}{sub ren}, which explicitly depends on the parameters describing the (low-energy) nuclear structure, display or not a similar isotopic dependence and whether this dependence is borne out by the data.« less
Top-pair production at the LHC through NNLO QCD and NLO EW

NASA Astrophysics Data System (ADS)

Czakon, Michał; Heymes, David; Mitov, Alexander; Pagani, Davide; Tsinikos, Ioannis; Zaro, Marco

2017-10-01

In this work we present for the first time predictions for top-quark pair differential distributions at the LHC at NNLO QCD accuracy and including EW corrections. For the latter we include not only contributions of O({α}_s^2α ) , but also those of order O({α}_s{α}^2) and O({α}^3) . Besides providing phenomenological predictions for all main differential distributions with stable top quarks, we also study the following issues. 1) The effect of the photon PDF on top-pair spectra: we find it to be strongly dependent on the PDF set used — especially for the top p T distribution. 2) The difference between the additive and multiplicative approaches for combining QCD and EW corrections: with our scale choice, we find relatively small differences between the central predictions, but reduced scale dependence within the multiplicative approach. 3) The potential effect from the radiation of heavy bosons on inclusive top-pair spectra: we find it to be, typically, negligible.
Thermophysical properties of krypton-helium gas mixtures from ab initio pair potentials

PubMed Central

2017-01-01

A new potential energy curve for the krypton-helium atom pair was developed using supermolecular ab initio computations for 34 interatomic distances. Values for the interaction energies at the complete basis set limit were obtained from calculations with the coupled-cluster method with single, double, and perturbative triple excitations and correlation consistent basis sets up to sextuple-zeta quality augmented with mid-bond functions. Higher-order coupled-cluster excitations up to the full quadruple level were accounted for in a scheme of successive correction terms. Core-core and core-valence correlation effects were included. Relativistic corrections were considered not only at the scalar relativistic level but also using full four-component Dirac–Coulomb and Dirac–Coulomb–Gaunt calculations. The fitted analytical pair potential function is characterized by a well depth of 31.42 K with an estimated standard uncertainty of 0.08 K. Statistical thermodynamics was applied to compute the krypton-helium cross second virial coefficients. The results show a very good agreement with the best experimental data. Kinetic theory calculations based on classical and quantum-mechanical approaches for the underlying collision dynamics were utilized to compute the transport properties of krypton-helium mixtures in the dilute-gas limit for a large temperature range. The results were analyzed with respect to the orders of approximation of kinetic theory and compared with experimental data. Especially the data for the binary diffusion coefficient confirm the predictive quality of the new potential. Furthermore, inconsistencies between two empirical pair potential functions for the krypton-helium system from the literature could be resolved. PMID:28595411
Thermophysical properties of krypton-helium gas mixtures from ab initio pair potentials

NASA Astrophysics Data System (ADS)

Jäger, Benjamin; Bich, Eckard

2017-06-01

A new potential energy curve for the krypton-helium atom pair was developed using supermolecular ab initio computations for 34 interatomic distances. Values for the interaction energies at the complete basis set limit were obtained from calculations with the coupled-cluster method with single, double, and perturbative triple excitations and correlation consistent basis sets up to sextuple-zeta quality augmented with mid-bond functions. Higher-order coupled-cluster excitations up to the full quadruple level were accounted for in a scheme of successive correction terms. Core-core and core-valence correlation effects were included. Relativistic corrections were considered not only at the scalar relativistic level but also using full four-component Dirac-Coulomb and Dirac-Coulomb-Gaunt calculations. The fitted analytical pair potential function is characterized by a well depth of 31.42 K with an estimated standard uncertainty of 0.08 K. Statistical thermodynamics was applied to compute the krypton-helium cross second virial coefficients. The results show a very good agreement with the best experimental data. Kinetic theory calculations based on classical and quantum-mechanical approaches for the underlying collision dynamics were utilized to compute the transport properties of krypton-helium mixtures in the dilute-gas limit for a large temperature range. The results were analyzed with respect to the orders of approximation of kinetic theory and compared with experimental data. Especially the data for the binary diffusion coefficient confirm the predictive quality of the new potential. Furthermore, inconsistencies between two empirical pair potential functions for the krypton-helium system from the literature could be resolved.
Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation

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

Sanyal, Tanmoy; Shell, M. Scott, E-mail: shell@engineering.ucsb.edu

Bottom-up multiscale techniques are frequently used to develop coarse-grained (CG) models for simulations at extended length and time scales but are often limited by a compromise between computational efficiency and accuracy. The conventional approach to CG nonbonded interactions uses pair potentials which, while computationally efficient, can neglect the inherently multibody contributions of the local environment of a site to its energy, due to degrees of freedom that were coarse-grained out. This effect often causes the CG potential to depend strongly on the overall system density, composition, or other properties, which limits its transferability to states other than the one atmore » which it was parameterized. Here, we propose to incorporate multibody effects into CG potentials through additional nonbonded terms, beyond pair interactions, that depend in a mean-field manner on local densities of different atomic species. This approach is analogous to embedded atom and bond-order models that seek to capture multibody electronic effects in metallic systems. We show that the relative entropy coarse-graining framework offers a systematic route to parameterizing such local density potentials. We then characterize this approach in the development of implicit solvation strategies for interactions between model hydrophobes in an aqueous environment.« less
Modeling tunneling for the unconventional superconducting proximity effect

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

Zareapour, Parisa; Xu, Jianwei; Zhao, Shu Yang F.

Recently there has been reinvigorated interest in the superconducting proximity effect, driven by predictions of the emergence of Majorana fermions. To help guide this search, we have developed a phenomenological model for the tunneling spectra in anisotropic superconductor-normal metal proximity devices. We combine successful approaches used in s-wave proximity and standard d-wave tunneling to reproduce tunneling spectra in d-wave proximity devices, and clarify the origin of various features. Different variations of the pair potential are considered, resulting from the proximity-induced superconductivity. Furthermore, the effective pair potential felt by the quasiparticles is momentum-dependent in contrast to s-wave superconductors. The probabilities ofmore » reflection and transmission are calculated by solving the Bogoliubov equations. Our results are consistent with experimental observations of the unconventional proximity effect and provide important experimental parameters such as the size and length scale of the proximity induced gap, as well as the conditions needed to observe the reduced and full superconducting gaps.« less
Modeling tunneling for the unconventional superconducting proximity effect

DOE PAGES

Zareapour, Parisa; Xu, Jianwei; Zhao, Shu Yang F.; ...

2016-10-12

Recently there has been reinvigorated interest in the superconducting proximity effect, driven by predictions of the emergence of Majorana fermions. To help guide this search, we have developed a phenomenological model for the tunneling spectra in anisotropic superconductor-normal metal proximity devices. We combine successful approaches used in s-wave proximity and standard d-wave tunneling to reproduce tunneling spectra in d-wave proximity devices, and clarify the origin of various features. Different variations of the pair potential are considered, resulting from the proximity-induced superconductivity. Furthermore, the effective pair potential felt by the quasiparticles is momentum-dependent in contrast to s-wave superconductors. The probabilities ofmore » reflection and transmission are calculated by solving the Bogoliubov equations. Our results are consistent with experimental observations of the unconventional proximity effect and provide important experimental parameters such as the size and length scale of the proximity induced gap, as well as the conditions needed to observe the reduced and full superconducting gaps.« less
Electrostatic and hydrodynamics effects in a sedimented magnetorheological suspension.

PubMed

Domínguez-García, P; Pastor, J M; Melle, Sonia; Rubio, Miguel A

2009-08-01

We present experimental results on the equilibrium microstructure of a sedimented magnetorheological suspension, namely, an aqueous suspension of micron-sized superparamagnetic particles. We develop a study of the electrical interactions on the suspension by processing video-microscopy images of the sedimented particles. We calculate the pair distribution function, g(r), which yields the electrostatic pair potential u(r), showing an anomalous attractive interaction for distances on the order of twice the particle diameter, with characteristic parameters whose values show a dependence with the two-dimensional concentration of particles. The repulsive body of the potential is adjusted to a DLVO expression in order to calculate the Debye screening length and the effective surface charge density. Influence of confinement and variations on the Boltzmann sedimentation profile because of the electrostatic interactions appear to be essential for the interpretation of experimental results.

The effect of endoscopic sterilization on reproductive behavior and pair bond maintenance of feral pigeons (Columba livia).

PubMed

Heiderich, E; Failing, K; Lierz, M; Schildger, B

2016-01-01

Problems related to feral pigeons (Columba livia) in cities mainly result from their large numbers due to uncontrolled population growth. The aim of this study was to evaluate whether endoscopic guided sterilization affects the reproductive behavior of feral pigeons under experimental conditions, with the intention of assessing this technique as a potential method for feral pigeon population control. Five groups of four pairs of feral pigeons each were studied from 8 weeks before, to 7 weeks after sterilization. Both the male and female of the first pair of each group were sterilized, in the second pair only the female and in the third pair only the male was sterilized. The fourth pair acted as a control. All eggs laid were candled to assess fertility. Surgical sterilization had minimal effects on behavior and therefore seems not to have impact on possible field application for population control. All pairs maintained their pair bonds and continued to defend their nesting sites against other pigeons. Only one female copulated with a foreign fertile male while her primary partner was debilitated due to surgery, but returned to him as soon as he recovered. All eggs laid more than 5 days after male sterilization were infertile, whereas all control pairs had fertile eggs. Only one fertile clutch was produced, 5 days after the male's sterilization. Therefore it is assumed that males remain fertile for a limited period of time. Endoscopic sterilization seems to be a promising method for field control of feral pigeon populations and sterilization of the male only seems sufficient.
Theoretical Probing of Weak Anion-Cation Interactions in Certain Pyridinium-Based Ionic Liquid Ion Pairs and the Application of Molecular Electrostatic Potential in Their Ionic Crystal Density Determination: A Comparative Study Using Density Functional Approach.

PubMed

Joseph, Aswathy; Thomas, Vibin Ipe; Żyła, Gaweł; Padmanabhan, A S; Mathew, Suresh

2018-01-11

A comprehensive study on the structure, nature of interaction, and properties of six ionic pairs of 1-butylpyridinium and 1-butyl-4-methylpyridinium cations in combination with tetrafluoroborate (BF 4 - ), chloride (Cl - ), and bromide (Br - ) anions have been carried out using density functional theory (DFT). The anion-cation interaction energy (ΔE int ), thermochemistry values, theoretical band gap, molecular orbital energy order, DFT-based chemical activity descriptors [chemical potential (μ), chemical hardness (η), and electrophilicity index (ω)], and distribution of density of states (DOS) of these ion pairs were investigated. The ascendancy of the -CH 3 substituent at the fourth position of the 1-butylpyridinium cation ring on the values of ΔE int , theoretical band gap and chemical activity descriptors was evaluated. The ΔE int values were negative for all six ion pairs and were highest for Cl - containing ion pairs. The theoretical band gap value after -CH 3 substitution increased from 3.78 to 3.96 eV (for Cl - ) and from 2.74 to 2.88 eV (for Br - ) and decreased from 4.9 to 4.89 eV (for BF 4 - ). Ion pairs of BF 4 - were more susceptible to charge transfer processes as inferred from their significantly high η values and comparatively small difference in ω value after -CH 3 substitution. The change in η and μ values due to the -CH 3 substituent is negligibly small in all cases except for the ion pairs of Cl - . Critical-point (CP) analyses were carried out to investigate the AIM topological parameters at the interionic bond critical points (BCPs). The RDG isosurface analysis indicated that the anion-cation interaction was dominated by strong H cat ···X ani and C cat ···X ani interactions in ion pairs of Cl - and Br - whereas a weak van der Waal's effect dominated in ion pairs of BF 4 - . The molecular electrostatic potential (MESP)-based parameter ΔΔV min measuring the anion-cation interaction strength showed a good linear correlation with ΔE int for all 1-butylpyridinium ion pairs (R 2 = 0.9918). The ionic crystal density values calculated by using DFT-based MESP showed only slight variations from experimentally reported values.
Large-Scale Identification and Analysis of Suppressive Drug Interactions

PubMed Central

Cokol, Murat; Weinstein, Zohar B.; Yilancioglu, Kaan; Tasan, Murat; Doak, Allison; Cansever, Dilay; Mutlu, Beste; Li, Siyang; Rodriguez-Esteban, Raul; Akhmedov, Murodzhon; Guvenek, Aysegul; Cokol, Melike; Cetiner, Selim; Giaever, Guri; Iossifov, Ivan; Nislow, Corey; Shoichet, Brian; Roth, Frederick P.

2014-01-01

SUMMARY One drug may suppress the effects of another. Although knowledge of drug suppression is vital to avoid efficacy-reducing drug interactions or discover countermeasures for chemical toxins, drug-drug suppression relationships have not been systematically mapped. Here, we analyze the growth response of Saccharomyces cerevisiae to anti-fungal compound (“drug”) pairs. Among 440 ordered drug pairs, we identified 94 suppressive drug interactions. Using only pairs not selected on the basis of their suppression behavior, we provide an estimate of the prevalence of suppressive interactions between anti-fungal compounds as 17%. Analysis of the drug suppression network suggested that Bromopyruvate is a frequently suppressive drug and Staurosporine is a frequently suppressed drug. We investigated potential explanations for suppressive drug interactions, including chemogenomic analysis, coaggregation, and pH effects, allowing us to explain the interaction tendencies of Bromopyruvate. PMID:24704506
Effective interactions between soft-repulsive colloids: experiments, theory, and simulations.

PubMed

Mohanty, Priti S; Paloli, Divya; Crassous, Jérôme J; Zaccarelli, Emanuela; Schurtenberger, Peter

2014-03-07

We describe a combined experimental, theoretical, and simulation study of the structural correlations between cross-linked highly monodisperse and swollen Poly(N-isopropylacrylamide) microgel dispersions in the fluid phase in order to obtain the effective pair-interaction potential between the microgels. The density-dependent experimental pair distribution functions g(r)'s are deduced from real space studies using fluorescent confocal microscopy and compared with integral equation theory and molecular dynamics computer simulations. We use a model of Hertzian spheres that is capable to well reproduce the experimental pair distribution functions throughout the fluid phase, having fixed the particle size and the repulsive strength. Theoretically, a monodisperse system is considered whose properties are calculated within the Rogers-Young closure relation, while in the simulations the role of polydispersity is taken into account. We also discuss the various effects arising from the finite resolution of the microscope and from the noise coming from the fast Brownian motion of the particles at low densities, and compare the information content from data taken in 2D and 3D through a comparison with the corresponding simulations. Finally different potential shapes, recently adopted in studies of microgels, are also taken into account to assess which ones could also be used to describe the structure of the microgel fluid.
Three-dimensional axisymmetric sources for Majumdar-Papapetrou type spacetimes

NASA Astrophysics Data System (ADS)

García-Reyes, Gonzalo; Hernández-Gómez, Kevin A.

From Newtonian potential-density pairs, we construct three-dimensional axisymmetric relativistic sources for a Majumdar-Papapetrou type conformastatic spacetime. As simple examples, we build two families of relativistic thick disks from the first two Miyamoto-Nagai potential-density pairs used in Newtonian gravity to model flat galaxies, and a three-component relativistic model of galaxy (bulge, disk and dark matter halo). We study the equatorial circular motion of test particles around such structures. Also the stability of the orbits is analyzed for radial perturbation using an extension of the Rayleigh criterion. In all examples, the relativistic effects are analyzed and compared with the Newtonian approximation. The models are considered satisfying all the energy conditions.
Spectroscopy of metal "superatom" nanoclusters and high-Tc superconducting pairing

NASA Astrophysics Data System (ADS)

Halder, Avik; Kresin, Vitaly V.

2015-12-01

A unique property of metal nanoclusters is the "superatom" shell structure of their delocalized electrons. The electronic shell levels are highly degenerate and therefore represent sharp peaks in the density of states. This can enable exceptionally strong electron pairing in certain clusters composed of tens to hundreds of atoms. In a finite system, such as a free nanocluster or a nucleus, pairing is observed most clearly via its effect on the energy spectrum of the constituent fermions. Accordingly, we performed a photoionization spectroscopy study of size-resolved aluminum nanoclusters and observed a rapid rise in the near-threshold density of states of several clusters (A l37 ,44 ,66 ,68 ) with decreasing temperature. The characteristics of this behavior are consistent with compression of the density of states by a pairing transition into a high-temperature superconducting state with Tc≳100 K. This value exceeds that of bulk aluminum by two orders of magnitude. These results highlight the potential of novel pairing effects in size-quantized systems and the possibility to attain even higher critical temperatures by optimizing the particles' size and composition. As a new class of high-temperature superconductors, such metal nanocluster particles are promising building blocks for high-Tc materials, devices, and networks.
Pleasant and unpleasant odour-face combinations influence face and odour perception: An event-related potential study.

PubMed

Cook, Stephanie; Kokmotou, Katerina; Soto, Vicente; Fallon, Nicholas; Tyson-Carr, John; Thomas, Anna; Giesbrecht, Timo; Field, Matt; Stancak, Andrej

2017-08-30

Odours alter evaluations of concurrent visual stimuli. However, neural mechanisms underlying the effects of congruent and incongruent odours on facial expression perception are not clear. Moreover, the influence of emotional faces on odour perception is not established. We investigated the effects of one pleasant and one unpleasant odour paired with happy and disgusted faces, on subjective ratings and ERP responses to faces. Participants rated the pleasantness of happy and disgusted faces that appeared during 3s pleasant or unpleasant odour pulses, or without odour. Odour pleasantness and intensity ratings were recorded in each trial. EEG was recorded continuously using a 128-channel system. Happy and disgusted faces paired with pleasant and unpleasant odour were rated as more or less pleasant, respectively, compared to the same faces presented in the other odour conditions. Odours were rated as more pleasant when paired with happy faces, and unpleasant odour was rated more intense when paired with disgusted faces. Unpleasant odour paired with disgusted faces also decreased inspiration. Odour-face interactions were evident in the N200 and N400 components. Our results reveal bi-directional effects of odours and faces, and suggest that odour-face interactions may be represented in ERP components. Pairings of unpleasant odour and disgusted faces resulted in stronger hedonic ratings, ERP changes, increased odour intensity ratings and respiratory adjustment. This finding likely represents heightened adaptive responses to multimodal unpleasant stimuli, prompting appropriate behaviour in the presence of danger. Copyright © 2017. Published by Elsevier B.V.
Pairing versus quarteting coherence length

NASA Astrophysics Data System (ADS)

Delion, D. S.; Baran, V. V.

2015-02-01

We systematically analyze the coherence length in even-even nuclei. The pairing coherence length in the spin-singlet channel for the effective density-dependent delta (DDD) and Gaussian interaction is estimated. We consider in our calculations bound states as well as narrow resonances. It turns out that the pairing gaps given by the DDD interaction are similar to those of the Gaussian potential if one renormalizes the radial width to the nuclear radius. The correlations induced by the pairing interaction have, in all considered cases, a long-range character inside the nucleus and a decrease towards the surface. The mean coherence length is larger than the geometrical radius for light nuclei and approaches this value for heavy nuclei. The effect of the temperature and states in the continuum is investigated. Strong shell effects are put in evidence, especially for protons. We generalize this concept to quartets by considering similar relations, but between proton and neutron pairs. The quartet coherence length has a similar shape, but with larger values on the nuclear surface. We provide evidence of the important role of proton-neutron correlations by estimating the so-called alpha coherence length, which takes into account the overlap with the proton-neutron part of the α -particle wave function. It turns out that it does not depend on the nuclear size and has a value comparable to the free α -particle radius. We have shown that pairing correlations are mainly concentrated inside the nucleus, while quarteting correlations are connected to the nuclear surface.
Brain potentials indicate the effect of other observers' emotions on perceptions of facial attractiveness.

PubMed

Huang, Yujing; Pan, Xuwei; Mo, Yan; Ma, Qingguo

2016-03-23

Perceptions of facial attractiveness are sensitive to emotional expression of the perceived face. However, little is known about whether the emotional expression on the face of another observer of the perceived face may have an effect on perceptions of facial attractiveness. The present study used event-related potential technique to examine social influence of the emotional expression on the face of another observer of the perceived face on perceptions of facial attractiveness. The experiment consisted of two phases. In the first phase, a neutral target face was paired with two images of individuals gazing at the target face with smiling, fearful or neutral expressions. In the second phase, participants were asked to judge the attractiveness of the target face. We found that a target face was more attractive when other observers positively gazing at the target face in contrast to the condition when other observers were negative. Additionally, the results of brain potentials showed that the visual positive component P3 with peak latency from 270 to 330 ms was larger after participants observed the target face paired with smiling individuals than the target face paired with neutral individuals. These findings suggested that facial attractiveness of an individual may be influenced by the emotional expression on the face of another observer of the perceived face. Copyright © 2016. Published by Elsevier Ireland Ltd.
Tri-Texts: A Potential Next Step for Paired Texts

ERIC Educational Resources Information Center

Ciecierski, Lisa M.; Bintz, William P.

2018-01-01

This article presents the concept of tri-texts as a potential next step from paired texts following a collaborative inquiry with fifth-grade students. Paired texts are two texts intertextually connected, whereas tri-texts are three texts connected this way. The authors begin the article with a short literature review highlighting some of the…
Study toward high-performance thermally driven air-conditioning systems

NASA Astrophysics Data System (ADS)

Miyazaki, Takahiko; Miyawaki, Jin; Ohba, Tomonori; Yoon, Seong-Ho; Saha, Bidyut Baran; Koyama, Shigeru

2017-01-01

The Adsorption heat pump is a technology for cooling and heating by using hot water as a driving heat source. It will largely contribute to energy savings when it is driven by solar thermal energy or waste heat. The system is available in the market worldwide, and there are many examples of application to heat recovery in factories and to solar cooling systems. In the present system, silica gel and zeolite are popular adsorbents in combination with water refrigerant. Our study focused on activated carbon-ethanol pair for adsorption cooling system because of the potential to compete with conventional systems in terms of coefficient of performance. In addition, activated-ethanol pair can generally produce larger cooling effect by an adsorption-desorption cycle compared with that of the conventional pairs in terms of cooling effect per unit adsorbent mass. After the potential of a commercially available activated carbon with highest level specific surface area was evaluated, we developed a new activated carbon that has the optimum pore characteristics for the purpose of solar or waste heat driven cooling systems. In this paper, comparison of refrigerants for adsorption heat pump application is presented, and a newly developed activated carbon for ethanol adsorption heat pump is introduced.
Cognitive Association Formation in Episodic Memory: Evidence from Event-Related Potentials

ERIC Educational Resources Information Center

Kim, Alice S. N.; Vallesi, Antonino; Picton, Terence W.; Tulving, Endel

2009-01-01

The present study focused on the processes underlying cognitive association formation by investigating subsequent memory effects. Event-related potentials were recorded as participants studied pairs of words, presented one word at a time, for later recall. The findings showed that a frontal-positive late wave (LW), which occurred 1-1.6 s after the…
Dual origin of pairing in nuclei

NASA Astrophysics Data System (ADS)

Idini, A.; Potel, G.; Barranco, F.; Vigezzi, E.; Broglia, R. A.

2016-11-01

The pairing correlations of the nucleus 120Sn are calculated by solving the Nambu-Gor'kov equations, including medium polarization effects resulting from the interweaving of quasiparticles, spin and density vibrations, taking into account, within the framework of nuclear field theory (NFT), processes leading to self-energy and vertex corrections and to the induced pairing interaction. From these results one can not only demonstrate the inevitability of the dual origin of pairing in nuclei, but also extract information which can be used at profit to quantitatively disentangle the contributions to the pairing gap Δ arising from the bare and from the induced pairing interaction. The first is the strong 1 S 0 short-range NN potential resulting from meson exchange between nucleons moving in time reversal states within an energy range of hundreds of MeV from the Fermi energy. The second results from the exchange of vibrational modes between nucleons moving within few MeV from the Fermi energy. Short- ( v p bare) and long-range ( v p ind) pairing interactions contribute essentially equally to nuclear Cooper pair stability. That is to the breaking of gauge invariance in open-shell superfluid nuclei and thus to the order parameter, namely to the ground state expectation value of the pair creation operator. In other words, to the emergent property of generalized rigidity in gauge space, and associated rotational bands and Cooper pair tunneling between members of these bands.
Electrodeless direct current dielectrophoresis using reconfigurable field-shaping oil barriers.

PubMed

Thwar, Prasanna K; Linderman, Jennifer J; Burns, Mark A

2007-12-01

We demonstrate dielectrophoretic (DEP) potential wells using pairs of insulating oil menisci to shape the DC electric field. These oil menisci are arranged in a configuration similar to the quadrupolar electrodes, typically used in DEP, and are shown to produce similar field gradients. While the one-pair well produces a focusing effect on particles in flow, the two-pair well results in creating spatial traps against crossflows. Uncharged polystyrene particles were used to map the DEP force fields and the experimental observations were compared against the field profiles obtained by numerically solving Maxwell's equations. We demonstrate trapping of a single particle due to negative DEP against a pressure-driven crossflow. This can be easily extended to trap and hold cells and other objects against flow for a longer time. We also show the results of particle trapping experiments performed to observe the effect of adjusting the oil menisci and the gap between two pairs of menisci in a four-menisci configuration on the nature of the DEP well formed at the center. A design parameter, Theta, capturing the dimensions of the DEP energy well, is defined and simulations exploring the effects of different geometric features on Theta are presented.
Quantitative assessment of pair formation behavior in captive whooping cranes (Grus americana)

USGS Publications Warehouse

Nelson, J.T.; Small, C.R.; Ellis, D.H.

1995-01-01

Instantaneous scan sampling for mean distance and synchronous action patterns and all-occurrence sampling for unison call, dance, strut, and hoover-up behaviors were conducted for five potential whooping crane pairs at Patuxent Environmental Science Center, Laurel. Maryland. Dance, strut, and hoover-up differed among pairs, as did total frequency of social behaviors. It was unclear whether or not total frequency of social behaviors during pair formation can be used as an index for potential breeding success. The relative importance of different action patterns should be used as indices of pair compatibility in captive whooping cranes.
Long-term leisure time physical activity and properties of bone: a twin study.

PubMed

Ma, Hongqiang; Leskinen, Tuija; Alen, Markku; Cheng, Sulin; Sipilä, Sarianna; Heinonen, Ari; Kaprio, Jaakko; Suominen, Harri; Kujala, Urho M

2009-08-01

Effects of physical activity on bone properties, when controlled for genetic effects, are not fully understood. We aimed to study the association between long-term leisure time physical activity (LTPA) and bone properties using twin pairs known to be discordant for leisure time physical activity for at least 30 yr. Volumetric BMD and geometric properties were measured at the tibia shaft and distal end using pQCT in 16 middle-aged (50-74 yr) same-sex twin pairs (seven monozygotic [MZ] and nine dizygotic [DZ] pairs) selected from a population-based cohort. Paired differences between active and inactive co-twins were studied. Active members of MZ twin pairs had larger cortical bone cross-sectional area (intrapair difference: 8%, p = 0.006), thicker cortex (12%, p = 0.003), and greater moment of inertia (I(max), 20%, p = 0.024) at the tibia shaft than their inactive co-twins. At the distal tibia, trabecular BMD (12%, p = 0.050) and compressive strength index (18%, p = 0.038) were also higher in physically active MZ pair members than their inactive co-twins. The trends were similar, but less consistently so, in DZ pairs as in MZ pairs. Our genetically controlled study design shows that LTPA during adulthood strengthens bones in a site-specific manner, that is, the long bone shaft has a thicker cortex, and thus higher bending strength, whereas the distal bone has higher trabecular density and compressive strength. These results suggest that LTPA has a potential causal role in decreasing the long-term risk of osteoporosis and thus preventing osteoporotic fractures.
Interspecific competition among Hawaiian forest birds

USGS Publications Warehouse

Mountainspring, S.; Scott, J.M.

1985-01-01

The object of this study was to determine whether interspecific competition modified local geographic distribution, after taking into account the effect of habitat structure. The tendencies for 14 passerine birds to have positive or negative associations were examined, using 7861 sample points in seven native forests on the islands of Hawaii, Maui, and Kauai. All birds were at least partly insectivorous and were fairly common in forested areas, although some fed chiefly on nectar or fruit. Species-pairs were classified as primary or secondary potential competitors based on general dietary similarity. To evaluate the association between species and to account for the effect of individual species habitat preferences, partial correlations were computed for each species-pair in a study area from the simple correlations between the species and 26 habitat variables plus two quadratic terms to represent nonlinearity. The partial correlations represented a short-term ('instantaneous') assessment of the strength of competitive interactions, and did not reflect the accumulation of competitive displacement through time. Of 170 partial correlations in the analysis, only 10 indicated significant negative association. The general pattern was of positive association (76 significantly positive partials), which probably resulted from flocking and from attraction of birds to areas of resource superabundance. Two species showed consistent patterns of negative partial correlations over several adjacent study areas, the Japanese White-eye/Iiwi in montane Hawaii, and the Japanese White-eye/Elepaio in windward Hawaii; both patterns could be reasonably attributed to direct competition. Species-pairs were grouped by the native or exotic status of the component species. Native/exotic pairs had a significantly greater proportion of negative partial correlations (37%) than either native/native pairs (8%) or exotic/exotic pairs (0%). This pattern was consistent across the seven study areas and appeared to reflect the occurrence of interspecific competition along a broad and diffuse ecological 'front' between a co-evolved native avifauna and recently introduced exotic species. The role of competition in the pattern was corroborated by the significantly higher proportion of negative partial correlations among species-pairs of primary potential competitors than among those of secondary potential competitors. Our results suggested that 47% of the primary potential competitors among native/exotic species-pairs may experience at least small depressions in local population density due to competition. Although the negative correlations were for the most part small (average negative r = 0.06), one species could eventually replace another as spatial displacement accumulated through time. The Japanese White-eye appeared to have a principal role in native/exotic interactions, with 62% of the partial correlations between it and native primary potential competitor species being negative. Noteworthy implications were that (1) it was important to account for the habitat responses of individual species when studying the role of interspecific competition in modifying small-scale geographic distribution; (2) competition was frequently sporadic in its geographic occurrence and in the species affected, thus supporting Wiens' (1977) theory of competition; and (3) as a consequence, the role of interspecific competition in modifying distribution may be difficult to detect statistically with small data sets.
Lone pair effect, structural distortions, and potential for superconductivity in Tl perovskites.

PubMed

Schoop, Leslie M; Müchler, Lukas; Felser, Claudia; Cava, R J

2013-05-06

Drawing the analogy to BaBiO3, we investigate via ab initio electronic structure calculations potential new superconductors of the type ATlX3 with A = Rb and Cs and X = F, Cl, and Br, with a particular emphasis on RbTlCl3. On the basis of chemical reasoning, supported by the calculations, we show that Tl-based perovskites have structural and charge instabilities driven by the lone pair effect, similar to the case of BaBiO3, effectively becoming A2Tl(+)Tl(3+)X6. We find that upon hole doping of RbTlCl3, structures without Tl(+) and Tl(3+) charge disproportionation become more stable, although the ideal cubic perovskite, often viewed as the best host for superconductivity, should not be the most stable phase in the system. The known superconductor (Sr,K)BiO3 and hole doped RbTlCl3, predicted to be most stable in the same tetragonal structure, display highly analogous calculated electronic band structures.
On Stellar Flash Echoes from Circular Rings

NASA Astrophysics Data System (ADS)

Nemiroff, Robert; Mukherjee, Oindabi

2018-01-01

A flash -- or any episode of variability -- that occurs in the vicinity of a circular ring might be seen several times later, simultaneously, as echoes on the ring. Effective images of the flash are created and annihilated in pairs, with as many as four flash images visible concurrently. Videos detailing sequences of image pair creation, tandem motion, and subsequent image annihilation are shown, given simple opacity and scattering assumptions. It is proven that, surprisingly, images from a second pair creation event always annihilate with images from the first. Caustic surfaces between flash locations yielding two and four images are computed. Although such ring echos surely occur, their practical detection might be difficult as it could require dedicated observing programs involving sensitive photometry of extended objects. Potential flash sources include planetary and interstellar gas and dust rings near and around variable stars, flare stars, novae, supernovae, and GRBs. Potentially recoverable information includes size, distance, temporal history, and angular isotropy of both the ring and flash.
Interaction between colloidal particles on an oil-water interface in dilute and dense phases.

PubMed

Parolini, Lucia; Law, Adam D; Maestro, Armando; Buzza, D Martin A; Cicuta, Pietro

2015-05-20

The interaction between micron-sized charged colloidal particles at polar/non-polar liquid interfaces remains surprisingly poorly understood for a relatively simple physical chemistry system. By measuring the pair correlation function g(r) for different densities of polystyrene particles at the decane-water interface, and using a powerful predictor-corrector inversion scheme, effective pair-interaction potentials can be obtained up to fairly high densities, and these reproduce the experimental g(r) in forward simulations, so are self consistent. While at low densities these potentials agree with published dipole-dipole repulsion, measured by various methods, an apparent density dependence and long range attraction are obtained when the density is higher. This condition is thus explored in an alternative fashion, measuring the local mobility of colloids when confined by their neighbors. This method of extracting interaction potentials gives results that are consistent with dipolar repulsion throughout the concentration range, with the same magnitude as in the dilute limit. We are unable to rule out the density dependence based on the experimental accuracy of our data, but we show that incomplete equilibration of the experimental system, which would be possible despite long waiting times due to the very strong repulsions, is a possible cause of artefacts in the inverted potentials. We conclude that to within the precision of these measurements, the dilute pair potential remains valid at high density in this system.

Genetic Evidence Highlights Potential Impacts of By-Catch to Cetaceans

PubMed Central

Mendez, Martin; Rosenbaum, Howard C.; Wells, Randall S.; Stamper, Andrew; Bordino, Pablo

2010-01-01

Incidental entanglement in fishing gear is arguably the most serious threat to many populations of small cetaceans, judging by the alarming number of captured animals. However, other aspects of this threat, such as the potential capture of mother-offspring pairs or reproductive pairs, could be equally or even more significant but have rarely been evaluated. Using a combination of demographic and genetic data we provide evidence that i) Franciscana dolphin pairs that are potentially reproductive and mother-offspring pairs form temporal bonds, and ii) are entangled simultaneously. Our results highlight potential demographic and genetic impacts of by-catch to cetacean populations: the joint entanglement of mother-offspring or reproductive pairs, compared to random individuals, might exacerbate the demographic consequences of by-catch, and the loss of groups of relatives means that significant components of genetic diversity could be lost together. Given the social nature of many odontocetes (toothed cetaceans), we suggest that these potential impacts could be rather general to the group and therefore by-catch could be more detrimental than previously considered. PMID:21179542
Quantum anharmonic oscillator plus delta-function potential: a molecular view of pairing formation and breaking in the coordinate space

NASA Astrophysics Data System (ADS)

Sumaryada, Tony; Maha Putra, Bima; Pramudito, Sidikrubadi

2017-05-01

We propose an alternative way to describe the pairing formation and breaking via a quantum anharmonic oscillator with a delta-function potential model. Unlike BCS theory, which describes the pairing formation in the momentum space, this model works in the coordinate space and is able to give a molecular view of pairing formation and breaking in the coordinate space. By exploring the dynamical interplay between the intrinsic factor (dissociation energy) and external factor (pairing strength) of this system additional information was gained, including the critical pairing strength and critical scattering length, which might relate to the BCS-BEC crossover phenomena and halo state formation. Although only the energetic aspect of pairing is described by this model, its simplicity and pedagogical steps might help undergraduate students to understand the pairing problem in a simple way.
Analysis of different adsorption heat transformation applications and working pairs for climatic regions of Russia

NASA Astrophysics Data System (ADS)

Grekova, A. D.; Gordeeva, L. G.

2018-04-01

Adsorption heat transformation is an energy and environment saving technology for cooling/heating driven by renewable energy sources. Each specific cycle of adsorption heat transformer (AHT) makes particular requirements to the properties of the sorption material, depending on the climatic zone in which the AHT is used, the type of application (cooling, heating and heat storage), and energy source used for regenerating the sorbent. Therefore, the effective operation of AHT can be realized only if the working pair "adsorbent-adsorbate" is intelligently selected in accordance with the requirements of a particular working cycle. One of the most important factors influencing the choice of a working pair is the climatic conditions in which the AHT will operate. In this paper, the climatic conditions of various regions of Russian Federation (RF) were analyzed. For each considered zone, the boundary potentials of Polanyi corresponding to different AHT cycles are calculated. The sorption equilibrium data of various sorbents with water and methanol presented in the literature are summarized, and characteristic sorption curves are plotted in coordinates "sorption - the Polanyi potential". The characteristic adsorption curves found are approximated by analytic expressions, which allow the analysis of working pairs applicability for different AHT cycles. The recommendations of using the discussed sorption pairs under conditions of determined climatic zones are given for the AHT applications.
Effect of structural mount dynamics on a pair of operating Stirling Convertors

NASA Astrophysics Data System (ADS)

Goodnight, Thomas W.; Suárez, Vicente J.; Hughes, William O.; Samorezov, Sergey

2002-01-01

The U.S. Department of Energy (DOE), in conjunction with NASA John H. Glenn Research Center and Stirling Technology Company, are currently developing a Stirling convertor for a Stirling Radioisotope Generator (SRG). NASA Headquarters and DOE have identified the SRG for potential use as an advanced spacecraft power system for future NASA deep-space and Mars surface missions. Low-level dynamic base-shake tests were conducted on a dynamic simulation of the structural mount for a pair of Operating Stirling Convertors. These tests were conducted at NASA Glenn Research Center's Structural Dynamics Laboratory as part of the development of this technology. The purpose of these tests was to identify the changes in transmissibility and the effect on structural dynamic response on a pair of operating Stirling Technology Demonstration Convertors (TDCs). This paper addresses the base-shake test, setup, procedure and results conducted on the Stirling TDC mount simulator in April 2001. .
Redox potential of pheophytin a in photosystem II of two cyanobacteria having the different special pair chlorophylls.

PubMed

Allakhverdiev, Suleyman I; Tomo, Tatsuya; Shimada, Yuichiro; Kindo, Hayato; Nagao, Ryo; Klimov, Vyacheslav V; Mimuro, Mamoru

2010-02-23

Water oxidation by photosystem (PS) II in oxygenic photosynthetic organisms is a major source of energy on the earth, leading to the production of a stable reductant. Mechanisms generating a high oxidation potential for water oxidation have been a major focus of photosynthesis research. This potential has not been estimated directly but has been measured by the redox potential of the primary electron acceptor, pheophytin (Phe) a. However, the reported values for Phe a are still controversial. Here, we measured the redox potential of Phe a under physiological conditions (pH 7.0; 25 degrees C) in two cyanobacteria with different special pair chlorophylls (Chls): Synechocystis sp. PCC 6803, whose special pair for PS II consists of Chl a, and Acaryochloris marina MBIC 11017, whose special pair for PS II consists of Chl d. We obtained redox potentials of -536 +/- 8 mV for Synechocystis sp. PCC 6803 and -478 +/- 24 mV for A. marina on PS II complexes in the presence of 1.0 M betaine. The difference in the redox potential of Phe a between the two species closely corresponded with the difference in the light energy absorbed by Chl a versus Chl d. We estimated the potentials of the special pair of PS II to be 1.20 V and 1.18 V for Synechocystis sp. PCC 6803 (P680) and A. marina (P713), respectively. This clearly indicates conservation in the properties of water-oxidation systems in oxygenic photosynthetic organisms, irrespective of the special-pair chlorophylls.
Effect of chronic stress on short and long-term plasticity in dentate gyrus; study of recovery and adaptation.

PubMed

Radahmadi, M; Hosseini, N; Nasimi, A

2014-11-07

Stress dramatically affects synaptic plasticity of the hippocampus, disrupts paired-pulse facilitation and impairs long-term potentiation (LTP). This study was performed to find the effects of chronic restraint stress and recovery period on excitability, paired-pulse response, LTP and to find probable adaptation to very long stress in the dentate gyrus. Thirty-eight male Wistar rats were randomly divided into four groups of Control, Rest-Stress (21 days stress), Stress-Rest (recovery) and Stress-Stress (42 days stress: adaptation). Chronic restraint stress was applied 6-h/day. Input-output functions, paired-pulse responses and LTP were recorded from the dentate gyrus while stimulating the perforant pathway. We found that chronic stress attenuated the responsiveness, paired-pulse response and LTP in the dentate gyrus. A 21-day recovery period, after the stress, improved all the three responses toward normal, indicating reversibility of these stress-related hippocampal changes. There was no significant adaptation to very long stress, probably due to severity of stress. Copyright © 2014 IBRO. Published by Elsevier Ltd. All rights reserved.
Quantitative evaluation of pairs and RS steganalysis

NASA Astrophysics Data System (ADS)

Ker, Andrew D.

2004-06-01

We give initial results from a new project which performs statistically accurate evaluation of the reliability of image steganalysis algorithms. The focus here is on the Pairs and RS methods, for detection of simple LSB steganography in grayscale bitmaps, due to Fridrich et al. Using libraries totalling around 30,000 images we have measured the performance of these methods and suggest changes which lead to significant improvements. Particular results from the project presented here include notes on the distribution of the RS statistic, the relative merits of different "masks" used in the RS algorithm, the effect on reliability when previously compressed cover images are used, and the effect of repeating steganalysis on the transposed image. We also discuss improvements to the Pairs algorithm, restricting it to spatially close pairs of pixels, which leads to a substantial performance improvement, even to the extent of surpassing the RS statistic which was previously thought superior for grayscale images. We also describe some of the questions for a general methodology of evaluation of steganalysis, and potential pitfalls caused by the differences between uncompressed, compressed, and resampled cover images.
Capturing RNA Folding Free Energy with Coarse-Grained Molecular Dynamics Simulations

PubMed Central

Bell, David R.; Cheng, Sara Y.; Salazar, Heber; Ren, Pengyu

2017-01-01

We introduce a coarse-grained RNA model for molecular dynamics simulations, RACER (RnA CoarsE-gRained). RACER achieves accurate native structure prediction for a number of RNAs (average RMSD of 2.93 Å) and the sequence-specific variation of free energy is in excellent agreement with experimentally measured stabilities (R2 = 0.93). Using RACER, we identified hydrogen-bonding (or base pairing), base stacking, and electrostatic interactions as essential driving forces for RNA folding. Also, we found that separating pairing vs. stacking interactions allowed RACER to distinguish folded vs. unfolded states. In RACER, base pairing and stacking interactions each provide an approximate stability of 3–4 kcal/mol for an A-form helix. RACER was developed based on PDB structural statistics and experimental thermodynamic data. In contrast with previous work, RACER implements a novel effective vdW potential energy function, which led us to re-parameterize hydrogen bond and electrostatic potential energy functions. Further, RACER is validated and optimized using a simulated annealing protocol to generate potential energy vs. RMSD landscapes. Finally, RACER is tested using extensive equilibrium pulling simulations (0.86 ms total) on eleven RNA sequences (hairpins and duplexes). PMID:28393861
Constraints on black hole remnants

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

Giddings, S.B.

1994-01-15

One possible fate of information lost to black holes is its preservation in black hole remnants. It is argued that a type of effective field theory describes such remnants (generically referred to as informons). The general structure of such a theory is investigated and the infinite pair production problem is revisited. A toy model for remnants clarifies some of the basic issues; in particular, infinite remnant production is not suppressed simply by the large internal volumes as proposed in cornucopion scenarios. Criteria for avoiding infinite production are stated in terms of couplings in the effective theory. Such instabilities remain amore » problem barring what would be described in that theory as a strong coupling conspiracy. The relation to Euclidean calculations of cornucopion production is sketched, and potential flaws in that analysis are outlined. However, it is quite plausible that pair production of ordinary black holes (e.g., Reissner-Noerdstrom or others) is suppressed due to strong effective couplings. It also remains an open possibility that a microsopic dynamics can be found yielding an appropriate strongly coupled effective theory of neutral informons without infinite pair production.« less
Coarse-grained molecular dynamics simulations of depletion-induced interactions for soft matter systems

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

Shendruk, Tyler N., E-mail: tyler.shendruk@physics.ox.ac.uk; Bertrand, Martin; Harden, James L.

2014-12-28

Given the ubiquity of depletion effects in biological and other soft matter systems, it is desirable to have coarse-grained Molecular Dynamics (MD) simulation approaches appropriate for the study of complex systems. This paper examines the use of two common truncated Lennard-Jones (Weeks-Chandler-Andersen (WCA)) potentials to describe a pair of colloidal particles in a thermal bath of depletants. The shifted-WCA model is the steeper of the two repulsive potentials considered, while the combinatorial-WCA model is the softer. It is found that the depletion-induced well depth for the combinatorial-WCA model is significantly deeper than the shifted-WCA model because the resulting overlap ofmore » the colloids yields extra accessible volume for depletants. For both shifted- and combinatorial-WCA simulations, the second virial coefficients and pair potentials between colloids are demonstrated to be well approximated by the Morphometric Thermodynamics (MT) model. This agreement suggests that the presence of depletants can be accurately modelled in MD simulations by implicitly including them through simple, analytical MT forms for depletion-induced interactions. Although both WCA potentials are found to be effective generic coarse-grained simulation approaches for studying depletion effects in complicated soft matter systems, combinatorial-WCA is the more efficient approach as depletion effects are enhanced at lower depletant densities. The findings indicate that for soft matter systems that are better modelled by potentials with some compressibility, predictions from hard-sphere systems could greatly underestimate the magnitude of depletion effects at a given depletant density.« less
The coupling between stability and ion pair formation in magnesium electrolytes from first-principles quantum mechanics and classical molecular dynamics

DOE PAGES

Rajput, Nav Nidhi; Qu, Xiaohuui; Sa, Niya; ...

2015-02-10

Here in this work we uncover a novel effect between concentration dependent ion pair formation and anion stability at reducing potentials, e.g., at the metal anode. Through comprehensive calculations using both first-principles as well as well-benchmarked classical molecular dynamics over a matrix of electrolytes, covering solvents and salt anions with a broad range in chemistry, we elucidate systematic correlations between molecular level interactions and composite electrolyte properties, such as electrochemical stability, solvation structure, and dynamics. We find that Mg electrolytes are highly prone to ion pair formation, even at modest concentrations, for a wide range of solvents with different dielectricmore » constants, which have implications for dynamics as well as charge transfer. Specifically, we observe that, at Mg metal potentials, the ion pair undergoes partial reduction at the Mg cation center (Mg 2+ -> Mg +), which competes with the charge transfer mechanism and can activate the anion to render it susceptible to decomposition. Specifically, TFSI exhibits a significant bond weakening while paired with the transient, partially reduced Mg +. In contrast, BH 4 $-$ and BF 4 $-$ are shown to be chemically stable in a reduced ion pair configuration. Furthermore, we observe that higher order glymes as well as DMSO improve the solubility of Mg salts, but only the longer glyme chains reduce the dynamics of the ions in solution. This information provides critical design metrics for future electrolytes as it elucidates a close connection between bulk solvation and cathodic stability as well as the dynamics of the salt.« less
Leveraging gigawatt potentials by smart heat-pump technologies using ionic liquids.

PubMed

Wasserscheid, Peter; Seiler, Matthias

2011-04-18

One of the greatest challenges to science in the 21 st century is the development of efficient energy production, storage, and transformation systems with minimal ecological footprints. Due to the lack of efficient heat-transformation technologies, industries around the world currently waste energy in the gigawatt range at low temperatures (40-80 °C). These energy potentials can be unlocked or used more efficiently through a new generation of smart heat pumps operating with novel ionic liquid (IL)-based working pairs. The new technology is expected to allow revolutionary technical progress in heat-transformation devices, for example, significantly higher potential efficiencies, lower specific investments, and broader possibilities to incorporate waste energy from renewable sources. Furthermore, due to drastically reduced corrosion rates and excellent thermal stabilities of the new, IL-based working pairs, the high driving temperatures necessary for multi-effect cycles such as double- or triple-effect absorption chillers, can also be realized. The details of this novel and innovative heat-transformation technology are described. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Using aversive images to enhance healthy food choices and implicit attitudes: An experimental test of evaluative conditioning.

PubMed

Hollands, Gareth J; Prestwich, Andrew; Marteau, Theresa M

2011-03-01

To examine the effect of communicating images of energy-dense snack foods paired with aversive images of the potential health consequences of unhealthy eating, on implicit and explicit attitudes and food choice behavior. Participants were randomly allocated to either an evaluative conditioning (EC) procedure that paired images of snack foods with images of potential adverse health consequences or a control condition that featured images of snack foods alone. Implicit attitudes were assessed pre- and post-intervention. Explicit attitudes and food choice behavior were assessed post-intervention. The conditioning intervention made implicit attitudes toward energy-dense snacks more negative, with this effect greatest in those with relatively more favorable implicit attitudes toward these snacks at baseline. Participants in the conditioning intervention were more likely to choose fruit rather than snacks in a behavioral choice task, a relationship mediated by changes in implicit attitudes. Presenting aversive images of potential health consequences with those of specific foodstuffs can change implicit attitudes, which impacts on subsequent food choice behavior. (c) 2011 APA, all rights reserved
Gender-related asymmetric brain vasomotor response to color stimulation: a functional transcranial Doppler spectroscopy study.

PubMed

Njemanze, Philip C

2010-11-30

The present study was designed to examine the effects of color stimulation on cerebral blood mean flow velocity (MFV) in men and women. The study included 16 (8 men and 8 women) right-handed healthy subjects. The MFV was recorded simultaneously in both right and left middle cerebral arteries in Dark and white Light conditions, and during color (Blue, Yellow and Red) stimulations, and was analyzed using functional transcranial Doppler spectroscopy (fTCDS) technique. Color processing occurred within cortico-subcortical circuits. In men, wavelength-differencing of Yellow/Blue pairs occurred within the right hemisphere by processes of cortical long-term depression (CLTD) and subcortical long-term potentiation (SLTP). Conversely, in women, frequency-differencing of Blue/Yellow pairs occurred within the left hemisphere by processes of cortical long-term potentiation (CLTP) and subcortical long-term depression (SLTD). In both genders, there was luminance effect in the left hemisphere, while in men it was along an axis opposite (orthogonal) to that of chromatic effect, in women, it was parallel. Gender-related differences in color processing demonstrated a right hemisphere cognitive style for wavelength-differencing in men, and a left hemisphere cognitive style for frequency-differencing in women. There are potential applications of fTCDS technique, for stroke rehabilitation and monitoring of drug effects.
Multiple re-encounter approach to radical pair reactions and the role of nonlinear master equations.

PubMed

Clausen, Jens; Guerreschi, Gian Giacomo; Tiersch, Markus; Briegel, Hans J

2014-08-07

We formulate a multiple-encounter model of the radical pair mechanism that is based on a random coupling of the radical pair to a minimal model environment. These occasional pulse-like couplings correspond to the radical encounters and give rise to both dephasing and recombination. While this is in agreement with the original model of Haberkorn and its extensions that assume additional dephasing, we show how a nonlinear master equation may be constructed to describe the conditional evolution of the radical pairs prior to the detection of their recombination. We propose a nonlinear master equation for the evolution of an ensemble of independently evolving radical pairs whose nonlinearity depends on the record of the fluorescence signal. We also reformulate Haberkorn's original argument on the physicality of reaction operators using the terminology of quantum optics/open quantum systems. Our model allows one to describe multiple encounters within the exponential model and connects this with the master equation approach. We include hitherto neglected effects of the encounters, such as a separate dephasing in the triplet subspace, and predict potential new effects, such as Grover reflections of radical spins, that may be observed if the strength and time of the encounters can be experimentally controlled.
Electron-hole pair effects in methane dissociative chemisorption on Ni(111)

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

Luo, Xuan; Jiang, Bin, E-mail: bjiangch@ustc.edu.cn; Juaristi, J. Iñaki

The dissociative chemisorption of methane on metal surfaces has attracted much attention in recent years as a prototype of gas-surface reactions in understanding the mode specific and bond selective chemistry. In this work, we systematically investigate the influence of electron-hole pair excitations on the dissociative chemisorption of CH{sub 4}/CH{sub 3}D/CHD{sub 3} on Ni(111). The energy dissipation induced by surface electron-hole pair excitations is modeled as a friction force introduced in the generalized Langevin equation, in which the independent atomic friction coefficients are determined within the local-density friction approximation. Quasi-classical trajectory calculations for CH{sub 4}/CH{sub 3}D/CHD{sub 3} have been carried outmore » on a recently developed twelve-dimensional potential energy surface. Comparing the dissociation probabilities obtained with and without friction, our results clearly indicate that the electron-hole pair effects are generally small, both on absolute reactivity of each vibrational state and on the mode specificity and bond selectivity. Given similar observations in both water and methane dissociation processes, we conclude that electron-hole pair excitations would not play an important role as long as the reaction is direct and the interaction time between the molecule and metal electrons is relatively short.« less
Modulation of motor cortex excitability by paired peripheral and transcranial magnetic stimulation.

PubMed

Kumru, Hatice; Albu, Sergiu; Rothwell, John; Leon, Daniel; Flores, Cecilia; Opisso, Eloy; Tormos, Josep Maria; Valls-Sole, Josep

2017-10-01

Repetitive application of peripheral electrical stimuli paired with transcranial magnetic stimulation (rTMS) of M1 cortex at low frequency, known as paired associative stimulation (PAS), is an effective method to induce motor cortex plasticity in humans. Here we investigated the effects of repetitive peripheral magnetic stimulation (rPMS) combined with low frequency rTMS ('magnetic-PAS') on intracortical and corticospinal excitability and whether those changes were widespread or circumscribed to the cortical area controlling the stimulated muscle. Eleven healthy subjects underwent three 10min stimulation sessions: 10HzrPMS alone, applied in trains of 5 stimuli every 10s (60 trains) on the extensor carpi radialis (ECR) muscle; rTMS alone at an intensity 120% of ECR threshold, applied over motor cortex of ECR and at a frequency of 0.1Hz (60 stimuli) and magnetic PAS, i.e., paired rPMS and rTMS. We recorded motor evoked potentials (MEPs) from ECR and first dorsal interosseous (FDI) muscles. We measured resting motor threshold, motor evoked potentials (MEP) amplitude at 120% of RMT, short intracortical inhibition (SICI) at interstimulus interval (ISI) of 2ms and intracortical facilitation (ICF) at an ISI of 15ms before and immediately after each intervention. Magnetic-PAS , but not rTMS or rPMS applied separately, increased MEP amplitude and reduced short intracortical inhibition in ECR but not in FDI muscle. Magnetic-PAS can increase corticospinal excitability and reduce intracortical inhibition. The effects may be specific for the area of cortical representation of the stimulated muscle. Application of magnetic-PAS might be relevant for motor rehabilitation. Copyright © 2017 International Federation of Clinical Neurophysiology. All rights reserved.
Water and sediment characteristics associated with avian botulism outbreaks in wetlands

USGS Publications Warehouse

Rocke, Tonie E.; Samuel, Michael D.

1999-01-01

Avian botulism kills thousands of waterbirds annually throughout North America, but management efforts to reduce its effects have been hindered because environmental conditions that promote outbreaks are poorly understood. We measured sediment and water variables in 32 pairs of wetlands with and without a current outbreak of avian botulism. Wetlands with botulism outbreaks had greater percent organic matter (POM) in the sediment (P = 0.088) and lower redox potential in the water (P = 0.096) than paired control wetlands. We also found that pH, redox potential, temperature, and salinity measured just above the sediment-water interface were associated (P ≤ 0.05) with the risk of botulism outbreaks in wetlands, but relations were complex, involving nonlinear and multivariate associations. Regression models indicated that the risk of botulism outbreaks increased when water pH was between 7.5 and 9.0, redox potential was negative, and water temperature was >20°C. Risk declined when redox potential increased (>100), water temperature decreased (10-15°C), pH was 9.0, or salinity was low (<2.0 ppt). Our predictive models could allow managers to assess potential effects of wetland management practices on the risk of botulism outbreaks and to develop and evaluate alternative management strategies to reduce losses from avian botulism.
Boson-boson effective nonrelativistic potential for higher-derivative electromagnetic theories in D dimensions

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

Accioly, Antonio; Dias, Marco

2004-11-15

The problem of computing the effective nonrelativistic potential U{sub D} for the interaction of charged-scalar bosons, within the context of D-dimensional electromagnetism with a cutoff, is reduced to quadratures. It is shown that U{sub 3} cannot bind a pair of identical charged-scalar bosons; nevertheless, numerical calculations indicate that boson-boson bound states do exist in the framework of three-dimensional higher-derivative electromagnetism augmented by a topological Chern-Simons term.
Counteranion-Mediated Intrinsic Healing of Poly(ionic liquid) Copolymers.

PubMed

Guo, Panlong; Zhang, Houyu; Liu, Xiaokong; Sun, Junqi

2018-01-17

Fabrication of self-healing/healable materials using reversible interactions that are governed by their inherent chemical features is highly desirable because it avoids the introduction of extra groups that may present negative effects on their functions. The present study exploits the inherently featured electrostatic interactions of the ion pairs in polymeric ionic liquids (PILs) as the driving force to fabricate healable PIL copolymers. The healable PIL copolymers are fabricated through the copolymerization of the IL monomers with ethyl acrylate followed by the replacement of Br - counteranions with bulkier ones such as bis(trifluoromethanesulfonyl)imide (TFSI - ). Without modifying the chemical structures of the PIL moieties, the healing performance of the as-prepared PIL copolymers can be effectively mediated by their counteranions. The PIL copolymers that do not possess healability when paired with Br - counteranions become healable after exchanging the Br - counteranions with larger-sized ones (e.g., TFSI - ). The PIL copolymers paired with bulky counteranions exhibit enhanced chain mobility and highly reversible ion-pair interactions, which facilitate the healing process. The PIL copolymers paired with TFSI - anions can completely heal the damage/cut upon heating at 55 °C for 7.5 h. Meanwhile, the counteranions with larger sizes not only benefit the healing performance of the PIL copolymers but also enhance their ion conductivity. The ion conductivity of the PIL copolymers paired with TFSI - is an order of magnitude higher than that of the PIL copolymers paired with Br - . Therefore, the as-prepared healable PIL copolymers are potentially useful as solid electrolytes in PIL-based energy devices to improve their safety and reliability.

CPM Pairs from LSPM so far not WDS Listed â Part III

NASA Astrophysics Data System (ADS)

Knapp, Wilfried; Nanson, John

2017-10-01

The LSPM catalog (Lepine and Shara 2005) is a rich source for CPM pairs we thought already exhausted â but as we found during research for our report âA new concept for counter-checking of assumed CPM pairsâ (Knapp and Nanson 2017) there are still many poten-tial CPM pairs indicated in LSPM which as of the end of 2016 are not listed in the WDS cata-log. After our first two reports on in total about 70 such objects (Knapp and Nanson 2017) the next paper with about 25 additional potential common proper motion pairs is presented here.
On adiabatic pair potentials of highly charged colloid particles

NASA Astrophysics Data System (ADS)

Sogami, Ikuo S.

2018-03-01

Generalizing the Debye-Hückel formalism, we develop a new mean field theory for adiabatic pair potentials of highly charged particles in colloid dispersions. The unoccupied volume and the osmotic pressure are the key concepts to describe the chemical and thermodynamical equilibrium of the gas of small ions in the outside region of all of the colloid particles. To define the proper thermodynamic quantities, it is postulated to take an ensemble averaging with respect to the particle configurations in the integrals for their densities consisting of the electric potential satisfying a set of equations that are derived by linearizing the Poisson-Boltzmann equation. With the Fourier integral representation of the electric potential, we calculate first the internal electric energy of the system from which the Helmholtz free energy is obtained through the Legendre transformation. Then, the Gibbs free energy is calculated using both ways of the Legendre transformation with respect to the unoccupied volume and the summation of chemical potentials. The thermodynamic functions provide three types of pair potentials, all of which are inversely proportional to the fraction of the unoccupied volume. At the limit when the fraction factor reduces to unity, the Helmholtz pair potential turns exactly into the well known Derjaguin-Landau-Verwey-Overbeek repulsive potential. The Gibbs pair potential possessing a medium-range strong repulsive part and a long-range weak attractive tail can explain the Schulze-Hardy rule for coagulation in combination with the van der Waals-London potential and describes a rich variety of phenomena of phase transitions observed in the dilute dispersions of highly charged particles.
Body-mass, survival, and pairing consequences of winter-diet restriction in wood ducks

USGS Publications Warehouse

Demarest, D.W.; Kaminski, R.M.; Brennan, L.A.; Boyle, C.R.

1997-01-01

We conducted feeding experiments with captive, wild-strain wood ducks (Aix sponsa) during winters 1990-91 and 1991-92 to test effects of increasing levels of food restriction on body mass dynamics, mortality, and pair formation. Male and female wood ducks fed restricted diets (i.e., 5, 10, 15, or 20% less food [g] than consumed on the previous day by a control group fed ad libitum) weighed less (P ??? 0.037) than birds fed ad libitum; those on 15 and 20% restricted diets weighed least. Increased mortality and decreased pair formation occurred only within the 20% restricted group (P ??? 0.049). We concluded that food restriction ranging between 15 and 20% of ad libitum intake may signify a threshold above which survival and reproduction of captive wood ducks may be impaired. Because energy costs of free living are greater than in captivity, a lower threshold may exist for wild wood ducks. Research is needed to validate the threshold theory for free-ranging wood ducks and other waterfowl, and to evaluate its potential application for conservation of winter foraging habitat. Conservation of bottomland hardwood ecosystems, which provide important foraging habitat for migrating and wintering wood ducks, should be encouraged to prevent potential negative effects on wood duck life-cycle events.
Submolecular Structure and Orientation of Oligonucleotide Duplexes Tethered to Gold Electrodes Probed by Infrared Reflection Absorption Spectroscopy: Effect of the Electrode Potentials.

PubMed

Kékedy-Nagy, László; Ferapontova, Elena E; Brand, Izabella

2017-02-23

Unique electronic and ligand recognition properties of the DNA double helix provide basis for DNA applications in biomolecular electronic and biosensor devices. However, the relation between the structure of DNA at electrified interfaces and its electronic properties is still not well understood. Here, potential-driven changes in the submolecular structure of DNA double helices composed of either adenine-thymine (dAdT) 25 or cytosine-guanine (dGdC) 20 base pairs tethered to the gold electrodes are for the first time analyzed by in situ polarization modulation infrared reflection absorption spectroscopy (PM IRRAS) performed under the electrochemical control. It is shown that the conformation of the DNA duplexes tethered to gold electrodes via the C 6 alkanethiol linker strongly depends on the nucleic acid sequence composition. The tilt of purine and pyrimidine rings of the complementary base pairs (dAdT and dGdC) depends on the potential applied to the electrode. By contrast, neither the conformation nor orientation of the ionic in character phosphate-sugar backbone is affected by the electrode potentials. At potentials more positive than the potential of zero charge (pzc), a gradual tilting of the double helix is observed. In this tilted orientation, the planes of the complementary purine and pyrimidine rings lie ideally parallel to each other. These potentials do not affect the integral stability of the DNA double helix at the charged interface. At potentials more negative than the pzc, DNA helices adopt a vertical to the gold surface orientation. Tilt of the purine and pyrimidine rings depends on the composition of the double helix. In monolayers composed of (dAdT) 25 molecules the rings of the complementary base pairs lie parallel to each other. By contrast, the tilt of purine and pyrimidine rings in (dGdC) 20 helices depends on the potential applied to the electrode. Such potential-induced mobility of the complementary base pairs can destabilize the helix structure at a submolecular level. These pioneer results on the potential-driven changes in the submolecular structure of double stranded DNA adsorbed on conductive supports contribute to further understanding of the potential-driven sequence-specific electronic properties of surface-tethered oligonucleotides.
Semantic memory influences episodic retrieval by increased familiarity.

PubMed

Wang, Yujuan; Mao, Xinrui; Li, Bingcan; Lu, Baoqing; Guo, Chunyan

2016-07-06

The role of familiarity in associative recognition has been investigated in a number of studies, which have indicated that familiarity can facilitate recognition under certain circumstances. The ability of a pre-experimentally existing common representation to boost the contribution of familiarity has rarely been investigated. In addition, although many studies have investigated the interactions between semantic memory and episodic retrieval, the conditions that influence the presence of specific patterns were unclear. This study aimed to address these two questions. We manipulated the degree of overlap between the two representations using synonym and nonsynonym pairs in an associative recognition task. Results indicated that an increased degree of overlap enhanced recognition performance. The analysis of event-related potentials effects in the test phase showed that synonym pairs elicited both types of old/rearranged effects, whereas nonsynonym pairs elicited a late old/rearranged effect. These results confirmed that a common representation, irrespective of source, was necessary for assuring the presence of familiarity, but a common representation could not distinguish associative recognition depending on familiarity alone. Moreover, our expected double dissociation between familiarity and recollection was absent, which indicated that mode selection may be influenced by the degree of distinctness between old and rearranged pairs rather than the degree of overlap between representations.
Coarse-grained modeling of polyethylene melts: Effect on dynamics

DOE PAGES

Peters, Brandon L.; Salerno, K. Michael; Agrawal, Anupriya; ...

2017-05-23

The distinctive viscoelastic behavior of polymers results from a coupled interplay of motion on multiple length and time scales. Capturing the broad time and length scales of polymer motion remains a challenge. Using polyethylene (PE) as a model macromolecule, we construct coarse-grained (CG) models of PE with three to six methyl groups per CG bead and probe two critical aspects of the technique: pressure corrections required after iterative Boltzmann inversion (IBI) to generate CG potentials that match the pressure of reference fully atomistic melt simulations and the transferability of CG potentials across temperatures. While IBI produces nonbonded pair potentials thatmore » give excellent agreement between the atomistic and CG pair correlation functions, the resulting pressure for the CG models is large compared with the pressure of the atomistic system. We find that correcting the potential to match the reference pressure leads to nonbonded interactions with much deeper minima and slightly smaller effective bead diameter. However, simulations with potentials generated by IBI and pressure-corrected IBI result in similar mean-square displacements (MSDs) and stress autocorrelation functions G( t) for PE melts. While the time rescaling factor required to match CG and atomistic models is the same for pressure- and non-pressure-corrected CG models, it strongly depends on temperature. Furthermore, transferability was investigated by comparing the MSDs and stress autocorrelation functions for potentials developed at different temperatures.« less
Coarse-grained modeling of polyethylene melts: Effect on dynamics

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

Peters, Brandon L.; Salerno, K. Michael; Agrawal, Anupriya

The distinctive viscoelastic behavior of polymers results from a coupled interplay of motion on multiple length and time scales. Capturing the broad time and length scales of polymer motion remains a challenge. Using polyethylene (PE) as a model macromolecule, we construct coarse-grained (CG) models of PE with three to six methyl groups per CG bead and probe two critical aspects of the technique: pressure corrections required after iterative Boltzmann inversion (IBI) to generate CG potentials that match the pressure of reference fully atomistic melt simulations and the transferability of CG potentials across temperatures. While IBI produces nonbonded pair potentials thatmore » give excellent agreement between the atomistic and CG pair correlation functions, the resulting pressure for the CG models is large compared with the pressure of the atomistic system. We find that correcting the potential to match the reference pressure leads to nonbonded interactions with much deeper minima and slightly smaller effective bead diameter. However, simulations with potentials generated by IBI and pressure-corrected IBI result in similar mean-square displacements (MSDs) and stress autocorrelation functions G( t) for PE melts. While the time rescaling factor required to match CG and atomistic models is the same for pressure- and non-pressure-corrected CG models, it strongly depends on temperature. Furthermore, transferability was investigated by comparing the MSDs and stress autocorrelation functions for potentials developed at different temperatures.« less
A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. II. Backbone-local potentials of coarse-grained O 1 →4 -bonded polyglucose chains

NASA Astrophysics Data System (ADS)

Lubecka, Emilia A.; Liwo, Adam

2017-09-01

Based on the theory of the construction of coarse-grained force fields for polymer chains described in our recent work [A. K. Sieradzan et al., J. Chem. Phys. 146, 124106 (2017)], in this work effective coarse-grained potentials, to be used in the SUGRES-1P model of polysaccharides that is being developed in our laboratory, have been determined for the O ⋯O ⋯O virtual-bond angles (θ ) and for the dihedral angles for rotation about the O ⋯O virtual bonds (γ ) of 1 → 4 -linked glucosyl polysaccharides, for all possible combinations of [α ,β ]-[d,l]-glucose. The potentials of mean force corresponding to the virtual-bond angles and the virtual-bond dihedral angles were calculated from the free-energy surfaces of [α ,β ]-[d,l]-glucose pairs, determined by umbrella-sampling molecular-dynamics simulations with the AMBER12 force field, or combinations of the surfaces of two pairs sharing the overlapping residue, respectively, by integrating the respective Boltzmann factor over the dihedral angles λ for the rotation of the sugar units about the O ⋯O virtual bonds. Analytical expressions were subsequently fitted to the potentials of mean force. The virtual-bond-torsional potentials depend on both virtual-bond-dihedral angles and virtual-bond angles. The virtual-bond-angle potentials contain a single minimum at about θ =14 0° for all pairs except β -d-[α ,β ] -l-glucose, where the global minimum is shifted to θ =150° and a secondary minimum appears at θ =90°. The torsional potentials favor small negative γ angles for the α -d-glucose and extended negative angles γ for the β -d-glucose chains, as observed in the experimental structures of starch and cellulose, respectively. It was also demonstrated that the approximate expression derived based on Kubo's cluster-cumulant theory, whose coefficients depend on the identity of the disugar units comprising a trisugar unit that defines a torsional potential, fits simultaneously all torsional potentials very well, thus reducing the number of parameters significantly.
Potential of mean force for ion pairs in non-aqueous solvents. Comparison of polarizable and non-polarizable MD simulations

NASA Astrophysics Data System (ADS)

Odinokov, A. V.; Leontyev, I. V.; Basilevsky, M. V.; Petrov, N. Ch.

2011-01-01

Potentials of mean force (PMF) are calculated for two model ion pairs in two non-aqueous solvents. Standard non-polarizable molecular dynamics simulation (NPMD) and approximate polarizable simulation (PMD) are implemented and compared as tools for monitoring PMF profiles. For the polar solvent (dimethylsulfoxide, DMSO) the PMF generated in terms of the NPMD reproduces fairly well the refined PMD-PMF profile. For the non-polar solvent (benzene) the conventional NPMD computation proves to be deficient. The validity of the correction found in terms of the approximate PMD approach is verified by its comparison with the result of the explicit PMD computation in benzene. The shapes of the PMF profiles in DMSO and in benzene are quite different. In DMSO, owing to dielectric screening, the PMF presents a flat plot with a shallow minimum positioned in the vicinity of the van der Waals contact of the ion pair. For the benzene case, the observed minimum proves to be unexpectedly deep, which manifests the formation of a tightly-binded contact ion pair. This remarkable effect arises owing to the strong electrostatic interaction that is incompletely screened by a non-polar medium. The PMFs for the binary benzene/DMSO mixtures display intermediate behaviour depending on the DMSO content.
Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities

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

Banerjee, Atreyee; Nandi, Manoj Kumar; Bhattacharyya, Sarika Maitra, E-mail: mb.sarika@ncl.res.in

2016-07-21

In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs relation, we show that the difference in the dynamics of these two systems at low temperatures can be explained from thermodynamics. At higher densities both the thermodynamical and dynamical difference between these model systems decrease, which is quantitatively demonstrated in thismore » paper by calculating different parameters. The study also reveals the origin of the difference in pair entropy despite the similarity in the structure. Although the maximum difference in structure is obtained in the partial radial distribution function of the B type of particles, the rdf of AA pairs and AB pairs gives rise to the differences in the entropy and dynamics. This work supports the observation made in an earlier study [A. Banerjee et al., Phys. Rev. Lett. 113, 225701 (2014)] and shows that they are generic in nature, independent of density.« less
Action of Pitolisant on the stimulant and rewarding effects of cocaine in mice.

PubMed

Brabant, Christian; Charlier, Yana; Navacerrada, Maria Elisa Serrano; Alleva, Livia; Tirelli, Ezio

2016-11-15

Previous studies have demonstrated that the histamine H3 receptor inverse agonist thioperamide potentiates the stimulant and rewarding effects of cocaine. However, these potentiating effects of thioperamide do not necessarily result from H3 receptor blockade since thioperamide is an imidazole-based compound capable of enhancing plasma cocaine concentrations by blocking cytochrome P450 activity. In contrast, Pitolisant is a non-imidazole H3 receptor inverse agonist that has already been tested in clinical trials but it remains to be determined whether this compound also potentiates the behavioral effects of cocaine. The present study tested the effects of Pitolisant on locomotion, on cocaine-induced hyperactivity and on the development of conditioned place preference induced by cocaine (2 and 8mg/kg, i.p.) in male C57BL/6J mice. Pitolisant was injected 30min before each cocaine-pairing session. Locomotion recorded on the first cocaine-pairing session was used to test the effects of Pitolisant on the locomotor effects of cocaine. Our results show that doses of Pitolisant higher than 10mg/kg depressed locomotion. When injected alone at doses that did not affect locomotion, Pitolisant (2.5-10mg/kg, i.p.) had no rewarding properties in the place conditioning technique. Additionally, Pitolisant did not significantly alter cocaine-induced hyperactivity and cocaine-induced conditioned place preference. Taken together, our study indicates that Pitolisant has no addictive properties alone. Moreover, this compound does not significantly affect the stimulant and rewarding effects of cocaine. These results add further evidence to support the hypothesis that a pharmacokinetic interaction is involved in the ability of thioperamide to potentiate cocaine's psychomotor effects. Copyright © 2016 Elsevier B.V. All rights reserved.
Extra-Pair Mating and Evolution of Cooperative Neighbourhoods

PubMed Central

Eliassen, Sigrunn; Jørgensen, Christian

2014-01-01

A striking but unexplained pattern in biology is the promiscuous mating behaviour in socially monogamous species. Although females commonly solicit extra-pair copulations, the adaptive reason has remained elusive. We use evolutionary modelling of breeding ecology to show that females benefit because extra-pair paternity incentivizes males to shift focus from a single brood towards the entire neighbourhood, as they are likely to have offspring there. Male-male cooperation towards public goods and dear enemy effects of reduced territorial aggression evolve from selfish interests, and lead to safer and more productive neighbourhoods. The mechanism provides adaptive explanations for the common empirical observations that females engage in extra-pair copulations, that neighbours dominate as extra-pair sires, and that extra-pair mating correlates with predation mortality and breeding density. The models predict cooperative behaviours at breeding sites where males cooperate more towards public goods than females. Where maternity certainty makes females care for offspring at home, paternity uncertainty and a potential for offspring in several broods make males invest in communal benefits and public goods. The models further predict that benefits of extra-pair mating affect whole nests or neighbourhoods, and that cuckolding males are often cuckolded themselves. Derived from ecological mechanisms, these new perspectives point towards the evolution of sociality in birds, with relevance also for mammals and primates including humans. PMID:24987839
Accurate coarse-grained models for mixtures of colloids and linear polymers under good-solvent conditions

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

D’Adamo, Giuseppe, E-mail: giuseppe.dadamo@sissa.it; Pelissetto, Andrea, E-mail: andrea.pelissetto@roma1.infn.it; Pierleoni, Carlo, E-mail: carlo.pierleoni@aquila.infn.it

2014-12-28

A coarse-graining strategy, previously developed for polymer solutions, is extended here to mixtures of linear polymers and hard-sphere colloids. In this approach, groups of monomers are mapped onto a single pseudoatom (a blob) and the effective blob-blob interactions are obtained by requiring the model to reproduce some large-scale structural properties in the zero-density limit. We show that an accurate parametrization of the polymer-colloid interactions is obtained by simply introducing pair potentials between blobs and colloids. For the coarse-grained (CG) model in which polymers are modelled as four-blob chains (tetramers), the pair potentials are determined by means of the iterative Boltzmannmore » inversion scheme, taking full-monomer (FM) pair correlation functions at zero-density as targets. For a larger number n of blobs, pair potentials are determined by using a simple transferability assumption based on the polymer self-similarity. We validate the model by comparing its predictions with full-monomer results for the interfacial properties of polymer solutions in the presence of a single colloid and for thermodynamic and structural properties in the homogeneous phase at finite polymer and colloid density. The tetramer model is quite accurate for q ≲ 1 (q=R{sup ^}{sub g}/R{sub c}, where R{sup ^}{sub g} is the zero-density polymer radius of gyration and R{sub c} is the colloid radius) and reasonably good also for q = 2. For q = 2, an accurate coarse-grained description is obtained by using the n = 10 blob model. We also compare our results with those obtained by using single-blob models with state-dependent potentials.« less
Magnetic field effects in proteins

NASA Astrophysics Data System (ADS)

Jones, Alex R.

2016-06-01

Many animals can sense the geomagnetic field, which appears to aid in behaviours such as migration. The influence of man-made magnetic fields on biology, however, is potentially more sinister, with adverse health effects being claimed from exposure to fields from mobile phones or high voltage power lines. Do these phenomena have a common, biophysical origin, and is it even plausible that such weak fields can profoundly impact noisy biological systems? Radical pair intermediates are widespread in protein reaction mechanisms, and the radical pair mechanism has risen to prominence as perhaps the most plausible means by which even very weak fields might impact biology. In this New Views article, I will discuss the literature over the past 40 years that has investigated the topic of magnetic field effects in proteins. The lack of reproducible results has cast a shadow over the area. However, magnetic field and spin effects have proven to be useful mechanistic tools for radical mechanism in biology. Moreover, if a magnetic effect on a radical pair mechanism in a protein were to influence a biological system, the conditions necessary for it to do so appear increasing unlikely to have come about by chance.
Altering the Electrostatic Potential in the Major Groove: Thermodynamic and Structural Characterization of 7-Deaza-2;#8242;-deoxyadenosine:dT Base Pairing in DNA

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

Kowal, Ewa A.; Ganguly, Manjori; Pallan, Pradeep S.

As part of an ongoing effort to explore the effect of major groove electrostatics on the thermodynamic stability and structure of DNA, a 7-deaza-2'-deoxyadenosine:dT (7-deaza-dA:dT) base pair in the Dickerson-Drew dodecamer (DDD) was studied. The removal of the electronegative N7 atom on dA and the replacement with an electropositive C-H in the major groove was expected to have a significant effect on major groove electrostatics. The structure of the 7-deaza-dA:dT base pair was determined at 1.1 {angstrom} resolution in the presence of Mg{sup 2+}. The 7-deaza-dA, which is isosteric for dA, had minimal effect on the base pairing geometry andmore » the conformation of the DDD in the crystalline state. There was no major groove cation association with the 7-deaza-dA heterocycle. In solution, circular dichroism showed a positive Cotton effect centered at 280 nm and a negative Cotton effect centered at 250 nm that were characteristic of a right-handed helix in the B-conformation. However, temperature-dependent NMR studies showed increased exchange between the thymine N3 imino proton of the 7-deaza-dA:dT base pair and water, suggesting reduced stacking interactions and an increased rate of base pair opening. This correlated with the observed thermodynamic destabilization of the 7-deaza-dA modified duplex relative to the DDD. A combination of UV melting and differential scanning calorimetry experiments were conducted to evaluate the relative contributions of enthalpy and entropy in the thermodynamic destabilization of the DDD. The most significant contribution arose from an unfavorable enthalpy term, which probably results from less favorable stacking interactions in the modified duplex, which was accompanied by a significant reduction in the release of water and cations from the 7-deaza-dA modified DNA.« less
Altering the Electrostatic Potential in the Major Groove: Thermodynamic and Structural Characterization of 7-Deaza-2′-deoxyadenosine:dT Base Pairing in DNA

PubMed Central

2011-01-01

As part of an ongoing effort to explore the effect of major groove electrostatics on the thermodynamic stability and structure of DNA, a 7-deaza-2′-deoxyadenosine:dT (7-deaza-dA:dT) base pair in the Dickerson–Drew dodecamer (DDD) was studied. The removal of the electronegative N7 atom on dA and the replacement with an electropositive C–H in the major groove was expected to have a significant effect on major groove electrostatics. The structure of the 7-deaza-dA:dT base pair was determined at 1.1 Å resolution in the presence of Mg2+. The 7-deaza-dA, which is isosteric for dA, had minimal effect on the base pairing geometry and the conformation of the DDD in the crystalline state. There was no major groove cation association with the 7-deaza-dA heterocycle. In solution, circular dichroism showed a positive Cotton effect centered at 280 nm and a negative Cotton effect centered at 250 nm that were characteristic of a right-handed helix in the B-conformation. However, temperature-dependent NMR studies showed increased exchange between the thymine N3 imino proton of the 7-deaza-dA:dT base pair and water, suggesting reduced stacking interactions and an increased rate of base pair opening. This correlated with the observed thermodynamic destabilization of the 7-deaza-dA modified duplex relative to the DDD. A combination of UV melting and differential scanning calorimetry experiments were conducted to evaluate the relative contributions of enthalpy and entropy in the thermodynamic destabilization of the DDD. The most significant contribution arose from an unfavorable enthalpy term, which probably results from less favorable stacking interactions in the modified duplex, which was accompanied by a significant reduction in the release of water and cations from the 7-deaza-dA modified DNA. PMID:22059929
A water market simulator considering pair-wise trades between agents

NASA Astrophysics Data System (ADS)

Huskova, I.; Erfani, T.; Harou, J. J.

2012-04-01

In many basins in England no further water abstraction licences are available. Trading water between water rights holders has been recognized as a potentially effective and economically efficient strategy to mitigate increasing scarcity. A screening tool that could assess the potential for trade through realistic simulation of individual water rights holders would help assess the solution's potential contribution to local water management. We propose an optimisation-driven water market simulator that predicts pair-wise trade in a catchment and represents its interaction with natural hydrology and engineered infrastructure. A model is used to emulate licence-holders' willingness to engage in short-term trade transactions. In their simplest form agents are represented using an economic benefit function. The working hypothesis is that trading behaviour can be partially predicted based on differences in marginal values of water over space and time and estimates of transaction costs on pair-wise trades. We discuss the further possibility of embedding rules, norms and preferences of the different water user sectors to more realistically represent the behaviours, motives and constraints of individual licence holders. The potential benefits and limitations of such a social simulation (agent-based) approach is contrasted with our simulator where agents are driven by economic optimization. A case study based on the Dove River Basin (UK) demonstrates model inputs and outputs. The ability of the model to suggest impacts of water rights policy reforms on trading is discussed.
Like-Charge Guanidinium Pairing between Ligand and Receptor: An Unusual Interaction for Drug Discovery and Design?

PubMed

Yang, Yang; Xu, Zhijian; Zhang, Zhengyan; Yang, Zhuo; Liu, Yingtao; Wang, Jinan; Cai, Tingting; Li, Shujin; Chen, Kaixian; Shi, Jiye; Zhu, Weiliang

2015-09-10

A database survey in this study revealed for the first time that there are 227 counterintuitive like-charge guanidinium pairings (Gdm(+)-Arg pairings) between ligands and receptors in the Protein Data Bank, implying the potential guanidinium-arginine binding between guanidine-containing drugs and their target proteins. Furthermore, there are 145 guanidine-containing molecules in the DrugBank, showing the prevalence of guanidinium groups in drugs. It has also been reported that the introduction of a guanidinium group forming Gdm(+)-Arg pairing improved the potency of the drug by more than 8-fold in a typical case. On the basis of the survey, six ligand-protein complexes with typical Gdm(+)-Arg pairings were chosen for QM/MM calculations. The calculations at the B97-D/6-311++g(d,p) level revealed that the interaction could be as strong as -1.0 to -2.5 kcal/mol in DMSO and water, comparable to common intermolecular interactions. The calculations also unveiled that the Gdm(+)-Arg pairing interactions change from repulsive to attractive with the increase of dielectric constant, suggesting that the dielectric constant has a general stabilization effect on the Gdm(+)-Arg pairing. This study suggested that the like-charge guanidinium pairing interaction could be used not only for tuning the physical and chemical properties of drug leads but also for improving ligand binding affinity.
Thin Film Evaporation Model with Retarded Van Der Waals Interaction (Postprint)

DTIC Science & Technology

2013-11-01

Waals interaction. The retarded van der Waals interaction is derived from Hamaker theory, the summation of retarded pair potentials for all molecules...interaction is derived from Hamaker theory, the summation of retarded pair potentials for all molecules for a given geometry. When combined, the governing...interaction force is the negative derivative with respect to distance of the interaction energy. The method due to Hamaker essentially sums all pair
Class of exactly solvable scattering potentials in two dimensions, entangled-state pair generation, and a grazing-angle resonance effect

NASA Astrophysics Data System (ADS)

Loran, Farhang; Mostafazadeh, Ali

2017-12-01

We provide an exact solution of the scattering problem for the potentials of the form v (x ,y ) =χa(x ) [v0(x ) +v1(x ) ei α y] , where χa(x ) :=1 for x ∈[0 ,a ] , χa(x ) :=0 for x ∉[0 ,a ] , vj(x ) are real or complex-valued functions, χa(x ) v0(x ) is an exactly solvable scattering potential in one dimension, and α is a positive real parameter. If α exceeds the wave number k of the incident wave, the scattered wave does not depend on the choice of v1(x ) . In particular, v (x ,y ) is invisible if v0(x ) =0 and k <α . For k >α and v1(x ) ≠0 , the scattered wave consists of a finite number of coherent plane-wave pairs ψn± with wave vector: kn=(±√{k2-[nα ] 2 },n α ) , where n =0 ,1 ,2 ,...

Associative spike timing-dependent potentiation of the basal dendritic excitatory synapses in the hippocampus in vivo.

PubMed

Fung, Thomas K; Law, Clayton S; Leung, L Stan

2016-06-01

Spike timing-dependent plasticity in the hippocampus has rarely been studied in vivo. Using extracellular potential and current source density analysis in urethane-anesthetized adult rats, we studied synaptic plasticity at the basal dendritic excitatory synapse in CA1 after excitation-spike (ES) pairing; E was a weak basal dendritic excitation evoked by stratum oriens stimulation, and S was a population spike evoked by stratum radiatum apical dendritic excitation. We hypothesize that positive ES pairing-generating synaptic excitation before a spike-results in long-term potentiation (LTP) while negative ES pairing results in long-term depression (LTD). Pairing (50 pairs at 5 Hz) at ES intervals of -10 to 0 ms resulted in significant input-specific LTP of the basal dendritic excitatory sink, lasting 60-120 min. Pairing at +10- to +20-ms ES intervals, or unpaired 5-Hz stimulation, did not induce significant basal dendritic or apical dendritic LTP or LTD. No basal dendritic LTD was found after stimulation of stratum oriens with 200 pairs of high-intensity pulses at 25-ms interval. Pairing-induced LTP was abolished by pretreatment with an N-methyl-d-aspartate receptor antagonist, 3-(2-carboxypiperazin-4-yl)-propyl-1-phosphonic acid (CPP), which also reduced spike bursting during 5-Hz pairing. Pairing at 0.5 Hz did not induce spike bursts or basal dendritic LTP. In conclusion, ES pairing at 5 Hz resulted in input-specific basal dendritic LTP at ES intervals of -10 ms to 0 ms but no LTD at ES intervals of -20 to +20 ms. Associative LTP likely occurred because of theta-rhythmic coincidence of subthreshold excitation with a backpropagated spike burst, which are conditions that can occur naturally in the hippocampus. Copyright © 2016 the American Physiological Society.
Ionic fluids with r-6 pair interactions have power-law electrostatic screening

NASA Astrophysics Data System (ADS)

Kjellander, Roland; Forsberg, Björn

2005-06-01

The decay behaviour of radial distribution functions for large distances r is investigated for classical Coulomb fluids where the ions interact with an r-6 potential (e.g. a dispersion interaction) in addition to the Coulombic and the short-range repulsive potentials (e.g. a hard core). The pair distributions and the density-density (NN), charge-density (QN) and charge-charge (QQ) correlation functions are investigated analytically and by Monte Carlo simulations. It is found that the NN correlation function ultimately decays like r-6 for large r, just as it does for fluids of electroneutral particles interacting with an r-6 potential. The prefactor is proportional to the squared compressibility in both cases. The QN correlations decay in general like r-8 and the QQ correlations like r-10 in the ionic fluid. The average charge density around an ion decays generally like r-8 and the average electrostatic potential like r-6. This behaviour is in stark contrast to the decay behaviour for classical Coulomb fluids in the absence of the r-6 potential, where all these functions decay exponentially for large r. The power-law decays are, however, the same as for quantum Coulomb fluids. This indicates that the inclusion of the dispersion interaction as an effective r-6 interaction potential in classical systems yields the same decay behaviour for the pair correlations as in quantum ionic systems. An exceptional case is the completely symmetric binary electrolyte for which only the NN correlation has a power-law decay but not the QQ correlations. These features are shown by an analysis of the bridge function.
Dual origin of pairing in nuclei

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

Idini, A.; Potel, G.; Barranco, F.

The pairing correlations of the nucleus {sup 120}Sn are calculated by solving the Nambu–Gor’kov equations, including medium polarization effects resulting from the interweaving of quasiparticles, spin and density vibrations, taking into account, within the framework of nuclear field theory (NFT), processes leading to self-energy and vertex corrections and to the induced pairing interaction. From these results one can not only demonstrate the inevitability of the dual origin of pairing in nuclei, but also extract information which can be used at profit to quantitatively disentangle the contributions to the pairing gap Δ arising from the bare and from the induced pairingmore » interaction. The first is the strong {sup 1}S{sub 0} short-range NN potential resulting from meson exchange between nucleons moving in time reversal states within an energy range of hundreds of MeV from the Fermi energy. The second results from the exchange of vibrational modes between nucleons moving within few MeV from the Fermi energy. Short- (v{sub p}{sup bare}) and long-range (v{sub p}{sup ind}) pairing interactions contribute essentially equally to nuclear Cooper pair stability. That is to the breaking of gauge invariance in open-shell superfluid nuclei and thus to the order parameter, namely to the ground state expectation value of the pair creation operator. In other words, to the emergent property of generalized rigidity in gauge space, and associated rotational bands and Cooper pair tunneling between members of these bands.« less
Potential Subjective Effectiveness of Active Interior Noise Control in Propeller Airplanes

NASA Technical Reports Server (NTRS)

Powell, Clemans A.; Sullivan, Brenda M.

2000-01-01

Active noise control technology offers the potential for weight-efficient aircraft interior noise reduction, particularly for propeller aircraft. However, there is little information on how passengers respond to this type of interior noise control. This paper presents results of two experiments that use sound quality engineering practices to determine the subjective effectiveness of hypothetical active noise control (ANC) systems in a range of propeller aircraft. The two experiments differed by the type of judgments made by the subjects: pair comparisons based on preference in the first and numerical category scaling of noisiness in the second. Although the results of the two experiments were in general agreement that the hypothetical active control measures improved the interior noise environments, the pair comparison method appears to be more sensitive to subtle changes in the characteristics of the sounds which are related to passenger preference. The reductions in subjective response due to the ANC conditions were predicted with reasonable accuracy by reductions in measured loudness level. Inclusion of corrections for the sound quality characteristics of tonality and fluctuation strength in multiple regression models improved the prediction of the ANC effects.
Effect of Affective Personality Information on Face Processing: Evidence from ERPs

PubMed Central

Luo, Qiu L.; Wang, Han L.; Dzhelyova, Milena; Huang, Ping; Mo, Lei

2016-01-01

This study explored the extent to which there are the neural correlates of the affective personality influence on face processing using event-related potentials (ERPs). In the learning phase, participants viewed a target individual’s face (expression neutral or faint smile) paired with either negative, neutral or positive sentences describing previous typical behavior of the target. In the following EEG testing phase, participants completed gender judgments of the learned faces. Statistical analyses were conducted on measures of neural activity during the gender judgment task. Repeated measures ANOVA of ERP data showed that faces described as having a negative personality elicited larger N170 than did those with a neutral or positive description. The early posterior negativity (EPN) showed the same result pattern, with larger amplitudes for faces paired with negative personality than for others. The size of the late positive potential was larger for faces paired with positive personality than for those with neutral and negative personality. The current study indicates that affective personality information is associated with an automatic, top–down modulation on face processing. PMID:27303359
The Influence of Plasma Effects of Pair Beams on the Intergalactic Cascade Emission of Blazars

NASA Astrophysics Data System (ADS)

Menzler, Ulf; Schlickeiser, Reinhard

2014-03-01

The attenuation of TeV γ-rays from distant blazars by the extragalactic background light (EBL) produces relativistic electron-positron pair beams. It has been shown by Broderick et. al. (2012) and Schlickeiser et. al (2012) that a pair beam traversing the intergalactic medium is unstable to linear two-stream instabilities of both electrostatic and electromagnetic nature. While for strong blazars all free pair energy is dissipated in heating the intergalactic medium and a potential electromagnetic cascade via inverse-Compton scattering with the cosmic microwave background is suppressed, we investigate the case of weak blazars where the back reaction of generated electrostatic turbulence leads to a plateauing of the electron energy spectrum. In the ultra-relativistic Thomson limit we analytically calculate the inverse-Compton spectral energy distribution for both an unplateaued and a plateaued beam scenario, showing a peak reduction factor of Rpeak ≈ 0.345. This is consistent with the FERMI non-measurements of a GeV excess in the spectrum of EBL attenuated TeV blazars. Claims on the lower bound of the intergalactic magnetic field strengths, made by several authors neglecting plasma effects, are thus put into question.
Characterizing a Wake-Free Safe Zone for the Simplified Aircraft-Based Paired Approach Concept

NASA Technical Reports Server (NTRS)

Guerreiro, Nelson M.; Neitzke, Kurt W.; Johnson, Sally C.; Stough, H. Paul, III; McKissick, Burnell T.; Syed, Hazari I.

2010-01-01

The Federal Aviation Administration (FAA) has proposed a concept of operations geared towards achieving increased arrival throughput at U.S. Airports, known as the Simplified Aircraft-based Paired Approach (SAPA) concept. In this study, a preliminary characterization of a wake-free safe zone (WFSZ) for the SAPA concept has been performed. The experiment employed Monte-Carlo simulations of varying approach profiles by aircraft pairs to closely-spaced parallel runways. Three different runway lateral spacings were investigated (750 ft, 1000 ft and 1400 ft), along with no stagger and 1500 ft stagger between runway thresholds. The paired aircraft were flown in a leader/trailer configuration with potential wake encounters detected using a wake detection surface translating with the trailing aircraft. The WFSZ is characterized in terms of the smallest observed initial in-trail distance leading to a wake encounter anywhere along the approach path of the aircraft. The results suggest that the WFSZ can be characterized in terms of two primary altitude regions, in ground-effect (IGE) and out of ground-effect (OGE), with the IGE region being the limiting case with a significantly smaller WFSZ. Runway stagger was observed to only modestly reduce the WFSZ size, predominantly in the OGE region.
Power corrupts co-operation: cognitive and motivational effects in a double EEG paradigm.

PubMed

Kanso, Riam; Hewstone, Miles; Hawkins, Erin; Waszczuk, Monika; Nobre, Anna Christina

2014-02-01

This study investigated the effect of interpersonal power on co-operative performance. We used a paired electro-encephalogram paradigm: pairs of participants performed an attention task, followed by feedback indicating monetary loss or gain on every trial. Participants were randomly allocated to the power-holder, subordinate or neutral group by creating different levels of control over how a joint monetary reward would be allocated. We found that power was associated with reduced behavioural accuracy. Event-related potential analysis showed that power-holders devoted less motivational resources to their targets than did subordinates or neutrals, but did not differ at the level of early conflict detection. Their feedback potential results showed a greater expectation of rewards but reduced subjective magnitude attributed to losses. Subordinates, on the other hand, were asymmetrically sensitive to power-holders' targets. They expected fewer rewards, but attributed greater significance to losses. Our study shows that power corrupts balanced co-operation with subordinates.
Power corrupts co-operation: cognitive and motivational effects in a double EEG paradigm

PubMed Central

Kanso, Riam; Hewstone, Miles; Hawkins, Erin; Waszczuk, Monika; Nobre, Anna Christina

2014-01-01

This study investigated the effect of interpersonal power on co-operative performance. We used a paired electro-encephalogram paradigm: pairs of participants performed an attention task, followed by feedback indicating monetary loss or gain on every trial. Participants were randomly allocated to the power-holder, subordinate or neutral group by creating different levels of control over how a joint monetary reward would be allocated. We found that power was associated with reduced behavioural accuracy. Event-related potential analysis showed that power-holders devoted less motivational resources to their targets than did subordinates or neutrals, but did not differ at the level of early conflict detection. Their feedback potential results showed a greater expectation of rewards but reduced subjective magnitude attributed to losses. Subordinates, on the other hand, were asymmetrically sensitive to power-holders’ targets. They expected fewer rewards, but attributed greater significance to losses. Our study shows that power corrupts balanced co-operation with subordinates. PMID:23160813
Milestone Report:3.2.2.26 Appliances, HVAC & Water Heating R&D-Select Sorption Technology

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

Ally, Moonis Raza

The purpose of this report is to select a sorption technology based on recent work completed on characterizing working pairs for both absorption and adsorption technologies based on Global Warming Potential (GWP) of less than 100 (relative to carbon dioxide, 100-year atmospheric life span) and zero Ozone Depletion Potential (ODP). From a total of eighty-three potential working pairs (absorption technology), there were only two candidate working pairs for the absorption technology, and 8 potential working pairs for adsorption technology. After screening these ten potential candidates on the basis of sizes of the desorber, absorber/adsorber, evaporator, condenser, and rectifier (where applicable),more » the ORNL-Georgia Tech study concluded that best working pairs are NH3-H2O for the most compact system in terms of heat transfer equipment surface area, and NH3-LiNO3 and MeOH-[mmin][DMP] where efficiency is most important. Based on a single-stage absorption and adsorption modeling using the Engineering Equation Solver (EES), the performance of both sorption systems was evaluated from known heat transfer correlations, and thermos-physical properties. Based on these results, the technology chosen is absorption technology. The selected technology is absorption for the reasons cited in Section 4.« less
Calculations of Total Classical Cross Sections for a Central Field

NASA Astrophysics Data System (ADS)

Tsyganov, D. L.

2018-07-01

In order to find the total collision cross-section a direct method of the effective potential (EPM) in the framework of classical mechanics was proposed. EPM allows to over come both the direct scattering problem (calculation of the total collision cross-section) and the inverse scattering problem (reconstruction of the scattering potential) quickly and effectively. A general analytical expression was proposed for the generalized Lennard-Jones potentials: (6-3), (9-3), (12-3), (6-4), (8-4), (12-4), (8-6), (12-6), (18-6). The values for the scattering potential of the total cross section for pairs such as electron-N2, N-N, and O-O2 were obtained in a good approximation.
Plasmonic Landau damping in active environments

NASA Astrophysics Data System (ADS)

Thakkar, Niket; Montoni, Nicholas P.; Cherqui, Charles; Masiello, David J.

2018-03-01

Optical manipulation of charge on the nanoscale is of fundamental importance to an array of proposed technologies from selective photocatalysis to nanophotonics. Open plasmonic systems where collective electron oscillations release energy and charge to their environments offer a potential means to this end as plasmons can rapidly decay into energetic electron-hole pairs; however, isolating this decay from other plasmon-environment interactions remains a challenge. Here we present an analytic theory of noble-metal nanoparticles that quantitatively models plasmon decay into electron-hole pairs, demonstrates that this decay depends significantly on the nanoparticle's dielectric environment, and disentangles this effect from competing decay pathways. Using our approach to incorporate embedding material and substrate effects on plasmon-electron interaction, we show that predictions from the model agree with four separate experiments. Finally, examination of coupled nanoparticle-emitter systems further shows that the hybridized in-phase mode more efficiently decays to photons whereas the out-of-phase mode more efficiently decays to electron-hole pairs, offering a strategy to tailor open plasmonic systems for charge manipulation.
Charge transport through DNA based electronic barriers

NASA Astrophysics Data System (ADS)

Patil, Sunil R.; Chawda, Vivek; Qi, Jianqing; Anantram, M. P.; Sinha, Niraj

2018-05-01

We report charge transport in electronic 'barriers' constructed by sequence engineering in DNA. Considering the ionization potentials of Thymine-Adenine (AT) and Guanine-Cytosine (GC) base pairs, we treat AT as 'barriers'. The effect of DNA conformation (A and B form) on charge transport is also investigated. Particularly, the effect of width of 'barriers' on hole transport is investigated. Density functional theory (DFT) calculations are performed on energy minimized DNA structures to obtain the electronic Hamiltonian. The quantum transport calculations are performed using the Landauer-Buttiker framework. Our main findings are contrary to previous studies. We find that a longer A-DNA with more AT base pairs can conduct better than shorter A-DNA with a smaller number of AT base pairs. We also find that some sequences of A-DNA can conduct better than a corresponding B-DNA with the same sequence. The counterions mediated charge transport and long range interactions are speculated to be responsible for counter-intuitive length and AT content dependence of conductance of A-DNA.
Reduction of CO 2 to methanol using aluminum ester FLPs

DOE PAGES

Smythe, Nathan C.; Dixon, David A.; Garner, III, Edward B.; ...

2015-10-09

Herein we report the synthesis of Al-based esters containing halogenated benzene rings. These Lewis acids were paired with phosphines to form frustrated Lewis pairs (FLPs) which could subsequently bind CO 2. While these FLPs were not sufficiently water-stable to catalyze the reduction of CO 2 to MeOH using NH 3BH 3 as the reductant, we examine the effect of varying Lewis acid strength. Frustrated Lewis pairs (FLPs) are combinations of Lewis acids and Lewis bases where the acid and base are either sterically or geometrically restricted from interacting as strongly as their electronic structures would allow. This effect leads tomore » enhanced reactivity towards small molecules and, consequently, interest in their potential as metal-free catalysts [1], [2], [3], [4] and [5]. Furthermore, to-date, the biggest success has been based around the ability of a myriad of systems to heterolytically cleave H 2 and perform catalytic hydrogenations [2] and [3].« less
Role of deformation in odd-even staggering in reaction cross sections for 30,31,32Ne and 36,37,38Mg isotopes

NASA Astrophysics Data System (ADS)

Urata, Y.; Hagino, K.; Sagawa, H.

2017-12-01

We discuss the role of pairing antihalo effect in the observed odd-even staggering in reaction cross sections for 30,31,32Ne and 36,37,38Mg isotopes by taking into account the ground-state deformation of these nuclei. To this end, we construct the ground-state density for the Ne,3130 and Mg,3736 nuclei based on a deformed Woods-Saxon potential, while for the 32Ne and 38Mg nuclei we also take into account the pairing correlation using the Hartree-Fock-Bogoliubov method. We demonstrate that, when the one-neutron separation energy is small for the odd-mass nuclei, a significant odd-even staggering still appears even with finite deformation, although the degree of staggering is somewhat reduced compared to the spherical case. This implies that the pairing antihalo effect in general plays an important role in generating the odd-even staggering in reaction cross sections for weakly bound nuclei.
Neural correlates of cross-domain affective priming.

PubMed

Zhang, Qin; Li, Xiaohua; Gold, Brian T; Jiang, Yang

2010-05-06

The affective priming effect has mostly been studied using reaction time (RT) measures; however, the neural bases of affective priming are not well established. To understand the neural correlates of cross-domain emotional stimuli presented rapidly, we obtained event-related potential (ERP) measures during an affective priming task using short SOA (stimulus onset asynchrony) conditions. Two sets of 480 picture-word pairs were presented at SOAs of either 150ms or 250ms between prime and target stimuli. Participants decided whether the valence of each target word was pleasant or unpleasant. Behavioral results from both SOA conditions were consistent with previous reports of affective priming, with longer RTs for incongruent than congruent pairs at SOAs of 150ms (771 vs. 738ms) and 250ms (765 vs. 720ms). ERP results revealed that the N400 effect (associated with incongruent pairs in affective processing) occurred at anterior scalp regions at an SOA of 150ms, and this effect was only observed for negative target words across the scalp at an SOA of 250ms. In contrast, late positive potentials (LPPs) (associated with attentional resource allocation) occurred across the scalp at an SOA of 250ms. LPPs were only observed for positive target words at posterior parts of the brain at an SOA of 150ms. Our finding of ERP signatures at very short SOAs provides the first neural evidence that affective pictures can exert an automatic influence on the evaluation of affective target words. Copyright 2010 Elsevier B.V. All rights reserved.
Fluctuation-driven anisotropy in effective pair interactions between nanoparticles: Thiolated gold nanoparticles in ethane

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

Jabes, B. Shadrack; Yadav, Hari O. S.; Chakravarty, Charusita, E-mail: charus@chemistry.iitd.ac.in

2014-10-21

Fluctuations within the ligand shell of a nanoparticle give rise to a significant degree of anisotropy in effective pair interactions for low grafting densities [B. Bozorgui, D. Meng, S. K. Kumar, C. Chakravarty, and A. Cacciuto, Nano Lett. 13, 2732 (2013)]. Here, we examine the corresponding fluctuation-driven anisotropy for gold nanocrystals densely passivated with short ligands. In particular, we consider gold nanocrystals capped by alkylthiols, both in vacuum and in ethane solvent at high density. As in the preceding study, we show that the anisotropy in the nanoparticle pair potential can be quantified by an angle-dependent correction term to themore » isotropic potential of mean force (PMF). We find that the anisotropy of the ligand shells is distance dependent, and strongly influenced by ligand interdigitation effects as well as expulsion of ligand chains from the interparticle region at short distances. Such fluctuation-driven anisotropy can be significant for alkylthiol-coated gold nanoparticles, specially for longer chain lengths, under good solvent conditions. The consequences of such anisotropy for self-assembly, specially as a function of grafting density, solvent quality and at interfaces, should provide some interesting insights in future work. Our results clearly show that an isotropic two-body PMF cannot adequately describe the thermodynamics and assembly behavior of nanoparticles in this dense grafting regime and inclusion of anisotropic effects, as well as possibly many-body interactions, is necessary. Extensions of this approach to other passivated nanoparticle systems and implications for self-assembly are considered.« less
Understanding child-based effects on parenting: temperament as a moderator of genetic and environmental contributions to parenting.

PubMed

Ganiban, Jody M; Ulbricht, Jennifer; Saudino, Kimberly J; Reiss, David; Neiderhiser, Jenae M

2011-05-01

The degree to which child temperament moderates genetic and environmental contributions to parenting was examined. Participants were drawn from the Nonshared Environment and Adolescent Development project and included 720 sibling pairs, ages 13.5 + 2.0 years (Sibling 1) to 12.1 + 1.3 years (Sibling 2). The sample consisted of 6 sibling types: 93 monozygotic twin pairs, 99 dizygotic twin pairs, and 95 full sibling pairs from never-divorced families and 182 full-sibling, 109 half-sibling, and 130 unrelated-sibling pairs residing in stepfamilies. Composite child temperament ratings (negative emotionality, activity, shyness, and sociability) were derived from mothers' and fathers' reports. Composite parenting ratings (negativity, warmth) for mothers and fathers were generated from children's and parents' reports. Analyses indicated that at higher levels of negative emotionality and sociability, child-based genetic contributions to mothers' and fathers' negativity increased, whereas the contributions of environmental factors declined. The opposite pattern was observed for child shyness. These same characteristics had less impact on parental warmth. For fathers only, nonshared environmental contributions to fathers' warmth increased in the presence of high child activity and sociability but declined when children were very shy. Overall these findings indicate that child-based effects on negative parenting are enhanced when children demonstrate potentially challenging characteristics but are weaker in the absence of such characteristics. (c) 2011 APA, all rights reserved.
A Bayesian adaptive design for biomarker trials with linked treatments.

PubMed

Wason, James M S; Abraham, Jean E; Baird, Richard D; Gournaris, Ioannis; Vallier, Anne-Laure; Brenton, James D; Earl, Helena M; Mander, Adrian P

2015-09-01

Response to treatments is highly heterogeneous in cancer. Increased availability of biomarkers and targeted treatments has led to the need for trial designs that efficiently test new treatments in biomarker-stratified patient subgroups. We propose a novel Bayesian adaptive randomisation (BAR) design for use in multi-arm phase II trials where biomarkers exist that are potentially predictive of a linked treatment's effect. The design is motivated in part by two phase II trials that are currently in development. The design starts by randomising patients to the control treatment or to experimental treatments that the biomarker profile suggests should be active. At interim analyses, data from treated patients are used to update the allocation probabilities. If the linked treatments are effective, the allocation remains high; if ineffective, the allocation changes over the course of the trial to unlinked treatments that are more effective. Our proposed design has high power to detect treatment effects if the pairings of treatment with biomarker are correct, but also performs well when alternative pairings are true. The design is consistently more powerful than parallel-groups stratified trials. This BAR design is a powerful approach to use when there are pairings of biomarkers with treatments available for testing simultaneously.
Capturing pair-wise epistatic effects associated with three agronomic traits in barley.

PubMed

Xu, Yi; Wu, Yajun; Wu, Jixiang

2018-04-01

Genetic association mapping has been widely applied to determine genetic markers favorably associated with a trait of interest and provide information for marker-assisted selection. Many association mapping studies commonly focus on main effects due to intolerable computing intensity. This study aims to select several sets of DNA markers with potential epistasis to maximize genetic variations of some key agronomic traits in barley. By doing so, we integrated a MDR (multifactor dimensionality reduction) method with a forward variable selection approach. This integrated approach was used to determine single nucleotide polymorphism pairs with epistasis effects associated with three agronomic traits: heading date, plant height, and grain yield in barley from the barley Coordinated Agricultural Project. Our results showed that four, seven, and five SNP pairs accounted for 51.06, 45.66 and 40.42% for heading date, plant height, and grain yield, respectively with epistasis being considered, while corresponding contributions to these three traits were 45.32, 31.39, 31.31%, respectively without epistasis being included. The results suggested that epistasis model was more effective than non-epistasis model in this study and can be more preferred for other applications.

The first does the work, but the third time's the charm: the effects of massed repetition on episodic encoding of multimodal face-name associations.

PubMed

Mangels, Jennifer A; Manzi, Alberto; Summerfield, Christopher

2010-03-01

In social interactions, it is often necessary to rapidly encode the association between visually presented faces and auditorily presented names. The present study used event-related potentials to examine the neural correlates of associative encoding for multimodal face-name pairs. We assessed study-phase processes leading to high-confidence recognition of correct pairs (and consistent rejection of recombined foils) as compared to lower-confidence recognition of correct pairs (with inconsistent rejection of recombined foils) and recognition failures (misses). Both high- and low-confidence retrieval of face-name pairs were associated with study-phase activity suggestive of item-specific processing of the face (posterior inferior temporal negativity) and name (fronto-central negativity). However, only those pairs later retrieved with high confidence recruited a sustained centro-parietal positivity that an ancillary localizer task suggested may index an association-unique process. Additionally, we examined how these processes were influenced by massed repetition, a mnemonic strategy commonly employed in everyday situations to improve face-name memory. Differences in subsequent memory effects across repetitions suggested that associative encoding was strongest at the initial presentation, and thus, that the initial presentation has the greatest impact on memory formation. Yet, exploratory analyses suggested that the third presentation may have benefited later memory by providing an opportunity for extended processing of the name. Thus, although encoding of the initial presentation was critical for establishing a strong association, the extent to which processing was sustained across subsequent immediate (massed) presentations may provide additional encoding support that serves to differentiate face-name pairs from similar (recombined) pairs by providing additional encoding opportunities for the less dominant stimulus dimension (i.e., name).
The origin of the mass of the Nambu-Goldstone bosons

NASA Astrophysics Data System (ADS)

Arraut, Ivan

2018-03-01

We explain the origin of the mass for the Nambu-Goldstone bosons when there is a chemical potential in the action which explicitly breaks the symmetry. The method is based on the number of independent histories for the interaction of the pair of Nambu-Goldstone bosons with the degenerate vacuum (triangle relations). The analysis suggests that under some circumstances, pairs of massive Nambu-Goldstone bosons can become a single degree of freedom with an effective mass defined by the superposition of the individual masses of each boson. Possible mass oscillations for the Nambu-Goldstone bosons are discussed.
Associative spike timing-dependent potentiation of the basal dendritic excitatory synapses in the hippocampus in vivo

PubMed Central

Fung, Thomas K.; Law, Clayton S.

2016-01-01

Spike timing-dependent plasticity in the hippocampus has rarely been studied in vivo. Using extracellular potential and current source density analysis in urethane-anesthetized adult rats, we studied synaptic plasticity at the basal dendritic excitatory synapse in CA1 after excitation-spike (ES) pairing; E was a weak basal dendritic excitation evoked by stratum oriens stimulation, and S was a population spike evoked by stratum radiatum apical dendritic excitation. We hypothesize that positive ES pairing—generating synaptic excitation before a spike—results in long-term potentiation (LTP) while negative ES pairing results in long-term depression (LTD). Pairing (50 pairs at 5 Hz) at ES intervals of −10 to 0 ms resulted in significant input-specific LTP of the basal dendritic excitatory sink, lasting 60–120 min. Pairing at +10- to +20-ms ES intervals, or unpaired 5-Hz stimulation, did not induce significant basal dendritic or apical dendritic LTP or LTD. No basal dendritic LTD was found after stimulation of stratum oriens with 200 pairs of high-intensity pulses at 25-ms interval. Pairing-induced LTP was abolished by pretreatment with an N-methyl-d-aspartate receptor antagonist, 3-(2-carboxypiperazin-4-yl)-propyl-1-phosphonic acid (CPP), which also reduced spike bursting during 5-Hz pairing. Pairing at 0.5 Hz did not induce spike bursts or basal dendritic LTP. In conclusion, ES pairing at 5 Hz resulted in input-specific basal dendritic LTP at ES intervals of −10 ms to 0 ms but no LTD at ES intervals of −20 to +20 ms. Associative LTP likely occurred because of theta-rhythmic coincidence of subthreshold excitation with a backpropagated spike burst, which are conditions that can occur naturally in the hippocampus. PMID:27052581
Novel nonlinear knowledge-based mean force potentials based on machine learning.

PubMed

Dong, Qiwen; Zhou, Shuigeng

2011-01-01

The prediction of 3D structures of proteins from amino acid sequences is one of the most challenging problems in molecular biology. An essential task for solving this problem with coarse-grained models is to deduce effective interaction potentials. The development and evaluation of new energy functions is critical to accurately modeling the properties of biological macromolecules. Knowledge-based mean force potentials are derived from statistical analysis of proteins of known structures. Current knowledge-based potentials are almost in the form of weighted linear sum of interaction pairs. In this study, a class of novel nonlinear knowledge-based mean force potentials is presented. The potential parameters are obtained by nonlinear classifiers, instead of relative frequencies of interaction pairs against a reference state or linear classifiers. The support vector machine is used to derive the potential parameters on data sets that contain both native structures and decoy structures. Five knowledge-based mean force Boltzmann-based or linear potentials are introduced and their corresponding nonlinear potentials are implemented. They are the DIH potential (single-body residue-level Boltzmann-based potential), the DFIRE-SCM potential (two-body residue-level Boltzmann-based potential), the FS potential (two-body atom-level Boltzmann-based potential), the HR potential (two-body residue-level linear potential), and the T32S3 potential (two-body atom-level linear potential). Experiments are performed on well-established decoy sets, including the LKF data set, the CASP7 data set, and the Decoys “R”Us data set. The evaluation metrics include the energy Z score and the ability of each potential to discriminate native structures from a set of decoy structures. Experimental results show that all nonlinear potentials significantly outperform the corresponding Boltzmann-based or linear potentials, and the proposed discriminative framework is effective in developing knowledge-based mean force potentials. The nonlinear potentials can be widely used for ab initio protein structure prediction, model quality assessment, protein docking, and other challenging problems in computational biology.
Imaginary potential of moving quarkonia in a D-instanton background

NASA Astrophysics Data System (ADS)

Zhang, Zi-qiang; Hou, De-fu; Chen, Gang

2017-11-01

The imaginary part of the inter-quark potential of moving heavy quarkonia is investigated in the context of dual super-gravity in an AdS background, deformed by a dilaton which induces the gauge field condensate in the dual gauge theory. A quark-anti-quark pair is analyzed, moving transverse and parallel to the plasma wind, in turn. It is shown that in both cases increased D-instanton density tends to increase the inter-distance and decrease the imaginary potential, opposite to the effect of the pair’s velocity. Moreover, it is found that the D-instanton density has stronger effects in the parallel case than the transverse.
Molecular dynamics study of thermodynamic scaling of the glass-transition dynamics in ionic liquids over wide temperature and pressure ranges.

PubMed

Habasaki, J; Casalini, R; Ngai, K L

2010-03-25

Experimentally, superpositioning of dynamic properties such as viscosity, relaxation times, or diffusion coefficients under different conditions of temperature T, pressure P, and volume V by the scaling variable TV(gamma) (where gamma is a material constant) has been reported as a general feature of many kinds of glass-forming materials. In the present work, molecular dynamics (MD) simulations have been performed to study the scaling of dynamics near the glass-transition regime of ionic liquids. Scaling in the simulated 1-ethyl-3-methylimidazolium nitrate (EMIM-NO(3)) system has been tested over wide ranges of temperatures and pressures. TV(gamma) scaling of the dynamics is well described by master curves with gamma = 4.0 +/- 0.2 and 3.8 +/- 0.2 for cation and anion, respectively. Structures and Coulombic terms of the corresponding states are found to be quite similar. The temperature and pressure dependence of the pair correlation function show similar trends and therefore can be superpositioned onto the master curve. Although the behaviors with gamma = 4 might be expected from the relation, gamma = n/3, for the dynamics with the soft-core-type potential U = epsilon(sigma/r)(n), with n = 12, pair potentials used in the MD simulation have a more complex form, and not all the repulsive terms can play their roles in the heterogeneous structures determined by ion-ion interactions. Scaling is related to the common part of effective potentials related to the pair correlation functions, including the many-body effect in real space.
Effect of helicopter transport on neurological outcomes in a mouse model of embolic stroke with reperfusion: AIR-MICE pilot study.

PubMed

Leira, Enrique C; Zaheer, Asgar; Schnell, Thomas; Torner, James C; Olalde, Heena M; Pieper, Andrew A; Ortega-Gutierrez, Santiago; Nagaraja, Nandakumar; Marks, Nancy L; Adams, Harold P

2015-10-01

Patients often suffer a stroke at a significant distance from a center capable of delivering endovascular therapy, thus requiring rapid transport by helicopter emergency medical services while receiving a recombinant tissue plasminogen activator infusion that was initiated locally. But little is known about how a helicopter flight may impact the safety and efficacy of recombinant tissue plasminogen activator-induced reperfusion and patient outcomes. To establish a new animal method to address with fidelity the safety and overall effect of helicopter emergency medical services during thrombolysis. Prospective randomized open blinded end-point study of an actual helicopter flight exposure. Adult C57BL/6 male mice were treated with a 10 mg/kg recombinant tissue plasminogen activator infusion two-hours after an embolic middle cerebral artery occlusion. Mice were randomized in pairs to simultaneously receive the infusion during a local helicopter flight or in a ground hangar. Eighteen mice (nine pairs) were analyzed. The paired t-test analysis showed nonsignificant smaller infarction volumes in the helicopter-assigned animals (mean pair difference 33 mm(3) , P = 0·33). The amount of hemorrhagic transformation between the helicopter and ground groups was 4·08 vs. 4·56 μl, respectively (paired t-test, P = 0·45). This study shows that helicopter emergency medical services do not have an inherent adverse effect on outcome in a mouse model of ischemic stroke with reperfusion. These results endorse the safety of the practice of using helicopter emergency medical services in stroke patients. The observed potential synergistic effect of helicopter-induced factors, such as vibration and changes in altitude, with reperfusion merits further exploration in animal experimental models and in stroke patients. © 2015 World Stroke Organization.
On Electron-Positron Pair Production by a Spatially Inhomogeneous Electric Field

NASA Astrophysics Data System (ADS)

Chervyakov, A.; Kleinert, H.

2018-05-01

A detailed analysis of electron-positron pair creation induced by a spatially non-uniform and static electric field from vacuum is presented. A typical example is provided by the Sauter potential. For this potential, we derive the analytic expressions for vacuum decay and pair production rate accounted for the entire range of spatial variations. In the limit of a sharp step, we recover the divergent result due to the singular electric field at the origin. The limit of a constant field reproduces the classical result of Euler, Heisenberg and Schwinger, if the latter is properly averaged over the width of a spatial variation. The pair production by the Sauter potential is described for different regimes from weak to strong fields. For all these regimes, the locally constant-field rate is shown to be the upper limit.
Study of Pair and many-body interactions in rare-gas halide atom clusters using negative ion zero electron kinetic energy (ZEKE) and threshold photodetachment spectroscopy

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

Yourshaw, Ivan

1998-07-09

The diatomic halogen atom-rare gas diatomic complexes KrBr -, XeBr -, and KrCl - are studied in this work by zero electron kinetic energy (ZEKE) spectroscopy in order to characterize the weak intermolecular diatomic potentials of these species. Also, the ZEKE and threshold photodetachment spectra of the polyatomic clusters Ar nBr - (n = 2-9) and Ar nI - (n = 2-19) are studied to obtain information about the non-additive effects on the interactions among the atoms. This work is part of an ongoing effort to characterize the pair and many-body potentials of the complete series of rare gas halidemore » clusters. In these studies we obtain information about both the anionic and neutral clusters.« less
Paired D10A Cas9 nickases are sometimes more efficient than individual nucleases for gene disruption.

PubMed

Gopalappa, Ramu; Suresh, Bharathi; Ramakrishna, Suresh; Kim, Hyongbum Henry

2018-03-23

The use of paired Cas9 nickases instead of Cas9 nuclease drastically reduces off-target effects. Because both nickases must function for a nickase pair to make a double-strand break, the efficiency of paired nickases can intuitively be expected to be lower than that of either corresponding nuclease alone. Here, we carefully compared the gene-disrupting efficiency of Cas9 paired nickases with that of nucleases. Interestingly, the T7E1 assay and deep sequencing showed that on-target efficiency of paired D10A Cas9 nickases was frequently comparable, but sometimes higher than that of either corresponding nucleases in mammalian cells. As the underlying mechanism, we found that the HNH domain, which is preserved in the D10A Cas9 nickase, has higher activity than the RuvC domain in mammalian cells. In this study, we showed: (i) the in vivo cleavage efficiency of the HNH domain of Cas9 in mammalian cells is higher than that of the RuvC domain, (ii) paired Cas9 nickases are sometimes more efficient than individual nucleases for gene disruption. We envision that our findings which were overlooked in previous reports will serve as a new potential guideline for tool selection for CRISPR-Cas9-mediated gene disruption, facilitating efficient and precise genome editing.
Neurophysiological correlates of abnormal somatosensory temporal discrimination in dystonia.

PubMed

Antelmi, Elena; Erro, Roberto; Rocchi, Lorenzo; Liguori, Rocco; Tinazzi, Michele; Di Stasio, Flavio; Berardelli, Alfredo; Rothwell, John C; Bhatia, Kailash P

2017-01-01

Somatosensory temporal discrimination threshold is often prolonged in patients with dystonia. Previous evidence suggested that this might be caused by impaired somatosensory processing in the time domain. Here, we tested if other markers of reduced inhibition in the somatosensory system might also contribute to abnormal somatosensory temporal discrimination in dystonia. Somatosensory temporal discrimination threshold was measured in 19 patients with isolated cervical dystonia and 19 age-matched healthy controls. We evaluated temporal somatosensory inhibition using paired-pulse somatosensory evoked potentials, spatial somatosensory inhibition by measuring the somatosensory evoked potentials interaction between simultaneous stimulation of the digital nerves in thumb and index finger, and Gamma-aminobutyric acid-ergic (GABAergic) sensory inhibition using the early and late components of high-frequency oscillations in digital nerves somatosensory evoked potentials. When compared with healthy controls, dystonic patients had longer somatosensory temporal discrimination thresholds, reduced suppression of cortical and subcortical paired-pulse somatosensory evoked potentials, less spatial inhibition of simultaneous somatosensory evoked potentials, and a smaller area of the early component of the high-frequency oscillations. A logistic regression analysis found that paired pulse suppression of the N20 component at an interstimulus interval of 5 milliseconds and the late component of the high-frequency oscillations were independently related to somatosensory temporal discrimination thresholds. "Dystonia group" was also a predictor of enhanced somatosensory temporal discrimination threshold, indicating a dystonia-specific effect that independently influences this threshold. Increased somatosensory temporal discrimination threshold in dystonia is related to reduced activity of inhibitory circuits within the primary somatosensory cortex. © 2016 International Parkinson and Movement Disorder Society. © 2016 International Parkinson and Movement Disorder Society.
Reversal of apomorphine locomotor sensitization by a single post-conditioning trial treatment with a low autoreceptor dose of apomorphine: a memory re-consolidation approach.

PubMed

Carrera, Marinete Pinheiro; Carey, Robert J; Dias, Flávia Regina Cruz; de Matos, Liana Wermelinger

2011-07-01

Sensitization is a common feature of psychostimulants and sensitization effects are generally considered to be linked to the addictive properties of these drugs. We used a conventional paired/unpaired Pavlovian protocol to induce a context specific sensitization to the locomotor stimulant effect of a high dose of apomorphine (2.0mg/kg). Two days following a 5 session sensitization induction phase, a brief 5min non-drug test for conditioning was conducted. Only the paired groups exhibited locomotor stimulant conditioned response effects. Immediately following this brief test for conditioning, the paired and the unpaired groups received injections of 0.05mg/kg apomorphine, 2.0mg/kg apomorphine or vehicle designed to differentially impact memory re-consolidation of the conditioning. Two days later, all groups received a sensitization challenge test with 2.0mg/kg apomorphine. The 2.0mg/kg apomorphine post-trial treatment potentiated sensitization while the 0.05mg/kg eliminated sensitization. These effects were only observed in the paired groups. The activation of dopaminergic systems by the high dose of apomorphine strengthened the drug/environment association whereas the inhibition of dopamine activity by the low auto-receptor dose eliminated this association. The results point to the importance of conditioning to context specific sensitization and targeting memory re-consolidation of conditioning as a paradigm to modify sensitization. Copyright © 2011 Elsevier Inc. All rights reserved.
Long-term application of winery wastewater - Effect on soil microbial populations and soil chemistry

NASA Astrophysics Data System (ADS)

Mosse, Kim; Patti, Antonio; Smernik, Ron; Cavagnaro, Timothy

2010-05-01

The ability to reuse winery wastewater (WWW) has potential benefits both with respect to treatment of a waste stream, as well as providing a beneficial water resource in water limited regions such as south-eastern Australia, California and South Africa. Over an extended time period, this practice leads to changes in soil chemistry, and potentially, also to soil microbial populations. In this study, we compared the short term effects of WWW (both treated and untreated) application on soil biology and chemistry in two adjacent paired sites with the same soil type, one of which had received WWW for approximately 30 years, and the other which had not. The paired sites were treated with an industrially relevant quantity of WWW, and the soil microbial activity (measured as soil CO2 efflux) and common soil physicochemical properties were monitored over a 16-day period. In addition, Solid State 13C NMR was employed on whole soil samples from the two sites, to measure and compare the chemical nature of the soil organic matter at the paired sites. The acclimatised soil showed a high level of organic matter and a greater spike in microbial activity following WWW addition, in comparison with the non-acclimatised soil, suggesting differences in soil chemistry and soil microbial communities between the two sites. Soil nitrate and phosphorus levels showed significant differences between WWW treatments; these differences likely to be microbially mediated.
Velocity-induced heavy quarkonium dissociation using the gauge-gravity correspondence

NASA Astrophysics Data System (ADS)

Patra, Binoy Krishna; Khanchandani, Himanshu; Thakur, Lata

2015-10-01

Using the gauge-gravity duality, we have obtained the potential between a heavy quark and an antiquark pair, which is moving perpendicular to the direction of orientation, in a strongly coupled supersymmetric hot plasma. For this purpose we work on a metric in the gravity side, viz. Ouyang-Klebanov-Strassler black hole geometry, of which the dual in the gauge theory side runs with the energy and hence proves to be a better background for thermal QCD. The potential obtained has a confining term both in the vacuum and in a medium, in addition to the Coulomb term alone, usually reported in the literature. As the velocity of the pair is increased, the screening of the potential gets weakened, which may be understood by the decrease of the effective temperature with the increase of the velocity. The crucial observation of our work is that, beyond a critical separation of the heavy quark pair, the potential develops an imaginary part which is nowadays understood to be the main source of dissociation. The imaginary part is found to vanish at small r , thus agreeing with the perturbative result. Finally we have estimated the thermal width for the ground and first excited states and found that nonzero rapidities lead to an increase of thermal width. This implies that the moving quarkonia dissociate more easily than the static ones, which agrees with other calculations. However, the width in our case is larger than other calculations due to the presence of confining terms.
Evolution from BCS superconductivity to Bose condensation: Calculation of the zero-temperature phase coherence length

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

Pistolesi, F.; Strinati, G.C.

1996-06-01

We consider a fermionic system at zero temperature interacting through an effective nonretarded potential of the type introduced by Nozi{grave e}res and Schmitt-Rink, and calculate the {ital phase} coherence length {xi}{sub phase} (associated with the spatial fluctuations of the superconducting order parameter) by exploiting a functional-integral formulation for the correlation functions and the associated loop expansion. This formulation is especially suited to follow the evolution of the fermionic system from a BCS-type superconductor for weak coupling to a Bose-condensed system for strong coupling, since in the latter limit a {ital direct} mapping of the original fermionic system onto an effectivemore » system of bosons with a residual boson-boson interaction can be established. Explicit calculations are performed at the one-loop order. The phase coherence length {xi}{sub phase} is compared with the coherence length {xi}{sub pair} for two-electron correlation, which is relevant to distinguish the weak- ({ital k}{sub {ital F}}{xi}{sub pair}{gt}1) from the strong- ({ital k}{sub {ital F}}{xi}{sub pair}{lt}1) coupling limits ({ital k}{sub {ital F}} being the Fermi wave vector) {ital as} {ital well} {ital as} to follow the crossover in between. It is shown that {xi}{sub phase} coincides with {xi}{sub pair} down to {ital k}{sub {ital F}}{xi}{sub pair}{approx_equal}10, {xi}{sub pair} in turn coinciding with the Pippard coherence length. In the strong-coupling limit we find instead that {xi}{sub phase}{gt}{xi}{sub pair}, with {xi}{sub pair} coinciding with the radius of the bound-electron pair. From the mapping onto an effective system of bosons in the strong-coupling limit we further relate {xi}{sub pair} with the {open_quote}{open_quote}range{close_quote}{close_quote} of the residual boson-boson interaction, which is physically the only significant length associated with the dynamics of the bosonic system. {copyright} {ital 1996 The American Physical Society.}« less
Free Recall Test Experience Potentiates Strategy-Driven Effects of Value on Memory

ERIC Educational Resources Information Center

Cohen, Michael S.; Rissman, Jesse; Hovhannisyan, Mariam; Castel, Alan D.; Knowlton, Barbara J.

2017-01-01

People tend to show better memory for information that is deemed valuable or important. By one mechanism, individuals selectively engage deeper, semantic encoding strategies for high value items (Cohen, Rissman, Suthana, Castel, & Knowlton, 2014). By another mechanism, information paired with value or reward is automatically strengthened in…
Computer simulation of liquid-vapor coexistence of confined quantum fluids

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

Trejos, Víctor M.; Gil-Villegas, Alejandro, E-mail: gil@fisica.ugto.mx; Martinez, Alejandro

2013-11-14

The liquid-vapor coexistence (LV) of bulk and confined quantum fluids has been studied by Monte Carlo computer simulation for particles interacting via a semiclassical effective pair potential V{sub eff}(r) = V{sub LJ} + V{sub Q}, where V{sub LJ} is the Lennard-Jones 12-6 potential (LJ) and V{sub Q} is the first-order Wigner-Kirkwood (WK-1) quantum potential, that depends on β = 1/kT and de Boer's quantumness parameter Λ=h/σ√(mε), where k and h are the Boltzmann's and Planck's constants, respectively, m is the particle's mass, T is the temperature of the system, and σ and ε are the LJ potential parameters. The non-conformalmore » properties of the system of particles interacting via the effective pair potential V{sub eff}(r) are due to Λ, since the LV phase diagram is modified by varying Λ. We found that the WK-1 system gives an accurate description of the LV coexistence for bulk phases of several quantum fluids, obtained by the Gibbs Ensemble Monte Carlo method (GEMC). Confinement effects were introduced using the Canonical Ensemble (NVT) to simulate quantum fluids contained within parallel hard walls separated by a distance L{sub p}, within the range 2σ ⩽ L{sub p} ⩽ 6σ. The critical temperature of the system is reduced by decreasing L{sub p} and increasing Λ, and the liquid-vapor transition is not longer observed for L{sub p}/σ < 2, in contrast to what has been observed for the classical system.« less
Ion pair reinforced semi-interpenetrating polymer network for direct methanol fuel cell applications.

PubMed

Fang, Chunliu; Julius, David; Tay, Siok Wei; Hong, Liang; Lee, Jim Yang

2012-06-07

This paper describes the synthesis of ion-pair-reinforced semi-interpenetrating polymer networks (SIPNs) as proton exchange membranes (PEMs) for the direct methanol fuel cells (DMFCs). Specifically, sulfonated poly(2,6-dimethyl-1,4-phenylene oxide) (SPPO), a linear polymer proton source, was immobilized in a brominated PPO (BPPO) network covalently cross-linked by ethylenediamine (EDA). The immobilization of SPPO in the SIPN network was accomplished not only by the usual means of mechanical interlocking but also by ion pair formation between the sulfonic acid groups of SPPO and the amine moieties formed during the cross-linking reaction of BPPO with EDA. Through the ion pair interactions, the immobilization of SPPO polymer in the BPPO network was made more effective, resulting in a greater uniformity of sulfonic acid cluster distribution in the membrane. The hydrophilic amine-containing cross-links also compensated for some of the decrease in proton conductivity caused by ion pair formation. The SIPN membranes prepared as such showed good proton conductivity, low methanol permeability, good mechanical properties, and dimensional stability. Consequently, the PPO based SIPN membranes were able to deliver a higher maximum power density than Nafion, demonstrating the potential of the SIPN structure for PEM designs.
The Effect of Paired Muscle Stimulation on Preparation for Movement.

PubMed

Brownjohn, Philip W; Blakemore, Rebekah L; Fox, Jonathan A; Shemmell, Jonathan

2018-06-07

Paired muscle stimulation is used clinically to facilitate the performance of motor tasks for individuals with motor dysfunction. However, the optimal temporal relationship between stimuli for enhancing movement remains unknown. We hypothesized that synchronous, muscle stimulation would increase the extent to which stimulated muscles are concurrently prepared for movement. We validated a measure of muscle-specific changes in corticomotor excitability prior to movement. We used this measure to examine the preparation of the first dorsal interosseous (FDI), abductor digiti minimi (ADM), abductor pollicis brevis (APB) muscles prior to voluntary muscle contractions before and after paired muscle stimulation at four interstimulus intervals (0, 5, 10, and 75 ms). Paired muscle stimulation increased premovement excitability in the stimulated FDI, but not in the ADM muscle. Interstimulus interval was not a significant factor in determining efficacy of the protocol. Paired stimulation, therefore, did not result in a functional association being formed between the stimulated muscles. Somatosensory potentials evoked by the muscle stimuli were small compared to those commonly elicited by stimulation of peripheral nerves, suggesting that the lack of functional association formation between muscles may be due to the small magnitude of afferent volleys from the stimulated muscles, particularly the ADM, reaching the cortex.
Analytical W-He and H-He interatomic potentials for a W-H-He system

NASA Astrophysics Data System (ADS)

Li, Xiao-Chun; Shu, Xiaolin; Liu, Yi-Nan; Yu, Yi; Gao, F.; Lu, Guang-Hong

2012-07-01

We have constructed W-He and H-He analytical bond-order potentials for a W-H-He system. In combination with the previously self-developed W-H potential [X.-C. Li, X. Shu, Y.-N. Liu, F. Gao, G.-H. Lu, J. Nucl. Mater. 408 (2011) 12] and the Hartree-Fock-dispersion pair potential (Aziz-potential) for He-He interactions, we demonstrate that such potentials behave well for reproducing various properties of the W-H-He system such as defect formation energies, structural properties, and diffusion barriers. Such potentials can be employed to model both the He behaviours and the H-He synergetic effects in the W-H-He system.

A patient with phonologic alexia can learn to read "much" from "mud pies"

PubMed Central

Lott, Susan Nitzberg; Sample, Diane M.; Oliver, Robyn T.; Lacey, Elizabeth H.; Friedman, Rhonda B.

2008-01-01

People with phonologic alexia often have difficulty reading functors and verbs, in addition to pseudowords. Friedman et al (2002) reported a successful treatment for phonologic alexia that paired problematic functors and verbs with easily read relays that were homophonous nouns (e.g. "be" paired with "bee"). The current study evaluates the efficacy of pairing problematic grammatical words with relays that share initial phonemes, but vary in the relationship of their final phonemes. Results showed that reading of target grammatical words improved to criterion level (90% accuracy over two consecutive probes) in all experimental conditions with shared phonology, but remained far below criterion level in control conditions. There was a significant correlation between degree of phonologic relatedness and error rate. Maintenance of the treatment effect was poor as assessed by traditional measurement, however a dramatic savings during relearning was demonstrated during a subsequent treatment phase. The finding that reading can be re-organized by pairing target words not only with homophones, but with other phonologically related relays, suggests that this approach could be applied to a wide corpus of words and, therefore, potentially be of great use clinically. We suggest, within a connectionist account, that the treatment effect results from relays priming the initial phonologic units of the targets. PMID:18513760
Semantic relations differentially impact associative recognition memory: electrophysiological evidence.

PubMed

Kriukova, Olga; Bridger, Emma; Mecklinger, Axel

2013-10-01

Though associative recognition memory is thought to rely primarily on recollection, recent research indicates that familiarity might also make a substantial contribution when to-be-learned items are integrated into a coherent structure by means of an existing semantic relation. It remains unclear how different types of semantic relations, such as categorical (e.g., dancer-singer) and thematic (e.g., dancer-stage) relations might affect associative recognition, however. Using event-related potentials (ERPs), we addressed this question by manipulating the type of semantic link between paired words in an associative recognition memory experiment. An early midfrontal old/new effect, typically linked to familiarity, was observed across the relation types. In contrast, a robust left parietal old/new effect was found in the categorical condition only, suggesting a clear contribution of recollection to associative recognition for this kind of pairs. One interpretation of this pattern is that familiarity was sufficiently diagnostic for associative recognition of thematic relations, which could result from the integrative nature of the thematic relatedness compared to the similarity-based nature of categorical pairs. The present study suggests that the extent to which recollection and familiarity are involved in associative recognition is at least in part determined by the properties of semantic relations between the paired associates. Copyright © 2013 Elsevier Inc. All rights reserved.
Blocking of conditioning to a cocaine-paired stimulus: testing the hypothesis that cocaine perpetually produces a signal of larger-than-expected reward.

PubMed

Panlilio, Leigh V; Thorndike, Eric B; Schindler, Charles W

2007-04-01

According to a recent account of addiction, dopaminergic effects of drugs like cocaine mimic the neuronal signal that occurs when a natural reward has a larger value than expected. Consequently, the drug's expected reward value increases with each administration, leading to an over-selection of drug-seeking behavior. One prediction of this hypothesis is that the blocking effect, a cornerstone of contemporary learning theory, should not occur with drug reinforcers. To test this prediction, two groups of rats were trained to self-administer cocaine with a nose-poking response. For 5 sessions, a tone was paired with each self-administered injection (blocking group), or no stimulus was paired with injection (non-blocking group). Then, in both groups, the tone and a light were both paired with each injection for 5 sessions. In subsequent testing, the light functioned as a conditioned reinforcer for a new response (lever-pressing) in the non-blocking group, but not the blocking group. Thus, contrary to prediction, pre-training with the tone blocked conditioning to the light. Although these results fail to support a potentially powerful explanation of addiction, they are consistent with the fact that most conditioning and learning phenomena that occur with non-drug reinforcers can also be demonstrated with drug reinforcers.
Simulation of defects in fusion plasma first wall materials

NASA Astrophysics Data System (ADS)

T, Troev; N, Nankov; T, Yoshiie

2014-06-01

Numerical calculations of radiation damages in beryllium, alpha-iron and tungsten irradiated by fusion neutrons were performed using molecular dynamics (MD) simulations. The displacement cascades efficiency has been calculated using the Norgett-Robinson-Torrens (NRT) formula, the universal pair-potential of Ziegler-Biersack-Littmark (ZBL) and the EAM inter-atomic potential. The pair potential overestimates the defects production by a factor of 2. The ZBL pair potential results and the EAM are comparable at higher primary knock-on atom (PKA) energies (E > 100 keV). We found that the most common types of defects are single vacancies, di-vacancies, interstitials and small number of interstitial clusters. On the bases of calculated results, the behavior of vacancies, empty nano-voids and nano-voids with hydrogen and helium were discussed.
Theoretical study on the identity ion pair SN2 reactions of LiX with CH3SX (X=Cl, Br, and I): structure, mechanism, and potential energy surface.

PubMed

Ren, Yi; Gai, Jing-Gang; Xiong, Yan; Lee, Kuo-Hsing; Chu, San-Yan

2007-07-26

Three archetypal ion pair nucleophilic substitution reactions at the methylsulfenyl sulfur atom LiX+CH3SX-->XSCH3+LiX (X=Cl, Br, and I) are investigated by the modified Gaussian-2 theory. Including lithium cation in the anionic models makes the ion pair reactions proceed along an SN2 mechanism, contrary to the addition-elimination pathway occurring in the corresponding anionic nucleophilic substitution reactions X-+CH3SX-->XSCH3+X-. Two reaction pathways for the ion pair SN2 reactions at sulfur, inversion and retention, are proposed. Results indicate the inversion pathway is favorable for all the halogens. Comparison of the transition structures and energetics for the ion pair SN2 at sulfur with the potential competition ion pair SN2 reactions at carbon LiX+CH3SX-->XCH3+LiXS shows that the SN2 reactions at carbon are not favorable from the viewpoints of kinetics and thermodynamics.
Combinatorial effects on clumped isotopes and their significance in biogeochemistry

NASA Astrophysics Data System (ADS)

Yeung, Laurence Y.

2016-01-01

The arrangement of isotopes within a collection of molecules records their physical and chemical histories. Clumped-isotope analysis interrogates these arrangements, i.e., how often rare isotopes are bound together, which in many cases can be explained by equilibrium and/or kinetic isotope fractionation. However, purely combinatorial effects, rooted in the statistics of pairing atoms in a closed system, are also relevant, and not well understood. Here, I show that combinatorial isotope effects are most important when two identical atoms are neighbors on the same molecule (e.g., O2, N2, and D-D clumping in CH4). When the two halves of an atom pair are either assembled with different isotopic preferences or drawn from different reservoirs, combinatorial effects cause depletions in clumped-isotope abundance that are most likely between zero and -1‰, although they could potentially be -10‰ or larger for D-D pairs. These depletions are of similar magnitude, but of opposite sign, to low-temperature equilibrium clumped-isotope effects for many small molecules. Enzymatic isotope-pairing reactions, which can have site-specific isotopic fractionation factors and atom reservoirs, should express this class of combinatorial isotope effect, although it is not limited to biological reactions. Chemical-kinetic isotope effects, which are related to a bond-forming transition state, arise independently and express second-order combinatorial effects related to the abundance of the rare isotope. Heteronuclear moeties (e.g., Csbnd O and Csbnd H), are insensitive to direct combinatorial influences, but secondary combinatorial influences are evident. In general, both combinatorial and chemical-kinetic factors are important for calculating and interpreting clumped-isotope signatures of kinetically controlled reactions. I apply this analytical framework to isotope-pairing reactions relevant to geochemical oxygen, carbon, and nitrogen cycling that may be influenced by combinatorial clumped-isotope effects. These isotopic signatures, manifest as either directly bound isotope ;clumps; or as features of a molecule's isotopic anatomy, are linked to molecular mechanisms and may eventually provide additional information about biogeochemical cycling on environmentally relevant spatial scales.
Solvent Effects on Protein Folding/Unfolding

NASA Astrophysics Data System (ADS)

García, A. E.; Hillson, N.; Onuchic, J. N.

Pressure effects on the hydrophobic potential of mean force led Hummer et al. to postulate a model for pressure denaturation of proteins in which denaturation occurs by means of water penetration into the protein interior, rather than by exposing the protein hydrophobic core to the solvent --- commonly used to describe temperature denaturation. We study the effects of pressure in protein folding/unfolding kinetics in an off-lattice minimalist model of a protein in which pressure effects have been incorporated by means of the pair-wise potential of mean force of hydrophobic groups in water. We show that pressure slows down the kinetics of folding by decreasing the reconfigurational diffusion coefficient and moves the location of the folding transition state.
Complexes of DNA bases and Watson-Crick base pairs interaction with neutral silver Agn (n = 8, 10, 12) clusters: a DFT and TDDFT study.

PubMed

Srivastava, Ruby

2018-03-01

We study the binding of the neutral Ag n (n = 8, 10, 12) to the DNA base-adenine (A), guanine (G) and Watson-Crick -adenine-thymine, guanine-cytosine pairs. Geometries of complexes were optimized at the DFT level using the hybrid B3LYP functional. LANL2DZ effective core potential was used for silver and 6-31 + G ** was used for all other atoms. NBO charges were analyzed using the Natural population analysis. The absorption properties of Ag n -A,G/WC complexes were also studied using time-dependent density functional theory. The absorption spectra for these complexes show wavelength in the visible region. It was revealed that silver clusters interact more strongly with WC pairs than with isolated DNA complexes. Furthermore, it was found that the electronic charge transferred from silver to isolated DNA clusters are less than the electronic charge transferred from silver to the Ag n -WC complexes. The vertical ionization potential, vertical electron affinity, hardness, and electrophilicity index of Ag n -DNA/WC complexes have also been discussed.
Theory of superconductivity with non-Hermitian and parity-time reversal symmetric Cooper pairing symmetry

NASA Astrophysics Data System (ADS)

Ghatak, Ananya; Das, Tanmoy

2018-01-01

Recently developed parity (P ) and time-reversal (T ) symmetric non-Hermitian systems govern a rich variety of new and characteristically distinct physical properties, which may or may not have a direct analog in their Hermitian counterparts. We study here a non-Hermitian, PT -symmetric superconducting Hamiltonian that possesses a real quasiparticle spectrum in the PT -unbroken region of the Brillouin zone. Within a single-band mean-field theory, we find that real quasiparticle energies are possible when the superconducting order parameter itself is either Hermitian or anti-Hermitian. Within the corresponding Bardeen-Cooper-Schrieffer (BCS) theory, we find that several properties are characteristically distinct and novel in the non-Hermitian pairing case than its Hermitian counterpart. One of our significant findings is that while a Hermitian superconductor gives a second-order phase transition, the non-Hermitian one produces a robust first-order phase transition. The corresponding thermodynamic properties and the Meissner effect are also modified accordingly. Finally, we discuss how such a PT -symmetric pairing can emerge from an antisymmetric potential, such as the Dzyloshinskii-Moriya interaction, but with an external bath, or complex potential, among others.
Green's-function theory of dirty two-band superconductivity

NASA Astrophysics Data System (ADS)

Asano, Yasuhiro; Golubov, Alexander A.

2018-06-01

We study the effects of random nonmagnetic impurities on the superconducting transition temperature Tc in a two-band superconductor, where we assume an equal-time spin-singlet s -wave pair potential in each conduction band and the hybridization between the two bands as well as the band asymmetry. In the clean limit, the phase of hybridization determines the stability of two states, called s++ and s+-. The interband impurity scatterings decrease Tc of the two states exactly in the same manner when time-reversal symmetry is preserved in the Hamiltonian. We find that a superconductor with larger hybridization shows more moderate suppression of Tc. This effect can be explained by the presence of odd-frequency Cooper pairs, which are generated by the band hybridization in the clean limit and are broken by impurities.
Spin relaxation of radicals in cryptochrome and its role in avian magnetoreception

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

Worster, Susannah; Kattnig, Daniel R.; Hore, P. J., E-mail: peter.hore@chem.ox.ac.uk

2016-07-21

Long-lived spin coherence and rotationally ordered radical pairs have previously been identified as key requirements for the radical pair mechanism of the avian magnetic compass sense. Both criteria are hard to meet in a biological environment, where thermal motion of the radicals creates dynamic disorder and drives efficient spin relaxation. This has long been cited as a major stumbling block of the radical pair hypothesis. Here we combine Redfield relaxation theory with analytical solutions to a rotational diffusion equation to assess the impact of restricted rotational motion of the radicals on the operation of the compass. The effects of suchmore » motions are first investigated generally in small, model systems and are then critically examined in the magnetically sensitive flavin-tryptophan radical pair that is formed photochemically in the proposed magnetoreceptor protein, cryptochrome. We conclude that relaxation is slowest when rotational motion of the radicals within the protein is fast and highly constrained; that in a regime of slow relaxation, the motional averaging of hyperfine interactions has the potential to improve the sensitivity of the compass; and that consideration of motional effects can significantly alter the design criteria for an optimal compass. In addition, we demonstrate that motion of the flavin radical is likely to be compatible with its role as a component of a functioning radical-pair compass, whereas the motion of the tryptophan radical is less ideal, unless it is particularly fast.« less
An inverse problem for Gibbs fields with hard core potential

NASA Astrophysics Data System (ADS)

Koralov, Leonid

2007-05-01

It is well known that for a regular stable potential of pair interaction and a small value of activity one can define the corresponding Gibbs field (a measure on the space of configurations of points in Rd). In this paper we consider a converse problem. Namely, we show that for a sufficiently small constant ρ¯1 and a sufficiently small function ρ¯2(x), x ∈Rd, that is equal to zero in a neighborhood of the origin, there exist a hard core pair potential and a value of activity such that ρ¯1 is the density and ρ¯2 is the pair correlation function of the corresponding Gibbs field.
Water pair potential of near spectroscopic accuracy. II. Vibration-rotation-tunneling levels of the water dimer

NASA Astrophysics Data System (ADS)

Groenenboom, G. C.; Wormer, P. E. S.; van der Avoird, A.; Mas, E. M.; Bukowski, R.; Szalewicz, K.

2000-10-01

Nearly exact six-dimensional quantum calculations of the vibration-rotation-tunneling (VRT) levels of the water dimer for values of the rotational quantum numbers J and K ⩽2 show that the SAPT-5s water pair potential presented in the preceding paper (paper I) gives a good representation of the experimental high-resolution far-infrared spectrum of the water dimer. After analyzing the sensitivity of the transition frequencies with respect to the linear parameters in the potential we could further improve this potential by using only one of the experimentally determined tunneling splittings of the ground state in (H2O)2. The accuracy of the resulting water pair potential, SAPT-5st, is established by comparison with the spectroscopic data of both (H2O)2 and (D2O)2: ground and excited state tunneling splittings and rotational constants, as well as the frequencies of the intermolecular vibrations.
Phase transition in conjugated oligomers suspended in chloroform

NASA Astrophysics Data System (ADS)

Dwivedi, Shikha; Kumar, Anupam; Yadav, S. N. S.; Mishra, Pankaj

2015-08-01

Density functional theory (DFT) has been used to investigate the isotropic-nematic (I-N) phase transition in a system of high aspect ratio conjugated oligomers suspended in chloroform. The interaction between the oligomers is modeled using Gay-Berne potential in which effect of solvent is implicit. Percus-Yevick integral equation theory has been used to evaluate the pair correlation functions of the fluid phase at several temperatures and densities. These pair correlation function has been used in the DFT to evaluate the I-N freezing parameters. Highly oriented nematic is found to stabilize at low density. The results obtained are in qualitative agreement with the simulation and are verifiable.
The semantic origin of unconscious priming: Behavioral and event-related potential evidence during category congruency priming from strongly and weakly related masked words.

PubMed

Ortells, Juan J; Kiefer, Markus; Castillo, Alejandro; Megías, Montserrat; Morillas, Alejandro

2016-01-01

The mechanisms underlying masked congruency priming, semantic mechanisms such as semantic activation or non-semantic mechanisms, for example response activation, remain a matter of debate. In order to decide between these alternatives, reaction times (RTs) and event-related potentials (ERPs) were recorded in the present study, while participants performed a semantic categorization task on visible word targets that were preceded either 167 ms (Experiment 1) or 34 ms before (Experiment 2) by briefly presented (33 ms) novel (unpracticed) masked prime words. The primes and targets belonged to different categories (unrelated), or they were either strongly or weakly semantically related category co-exemplars. Behavioral (RT) and electrophysiological masked congruency priming effects were significantly greater for strongly related pairs than for weakly related pairs, indicating a semantic origin of effects. Priming in the latter condition was not statistically reliable. Furthermore, priming effects modulated the N400 event-related potential (ERP) component, an electrophysiological index of semantic processing, but not ERPs in the time range of the N200 component, associated with response conflict and visuo-motor response priming. The present results demonstrate that masked congruency priming from novel prime words also depends on semantic processing of the primes and is not exclusively driven by non-semantic mechanisms such as response activation. Copyright © 2015 Elsevier B.V. All rights reserved.
Phased charging and discharging in capacitive desalinatio

DOEpatents

Stadermann, Michael; Qu, Yatian; Santiago, Juan G.; Hemmatifar, Ali

2017-09-12

A system combines complete, ultra-thin cells into a monolithic and robust framework necessary for desalination applications which yields orders of magnitude faster desalination. The electrode pairs are located so that a flow of feed water flows through or around the electrode pairs with the flow perpendicular to sequentially applied electric potentials. The system is controlled to charge the series of electrode pairs sequentially or phased. That means the charging of the second electrode pair is delayed with regard to the charging of the first electrode pair and the charging of a third electrode pair is delayed with respect to the charging of the second electrode pair.
Heteroditopic receptors for ion-pair recognition.

PubMed

McConnell, Anna J; Beer, Paul D

2012-05-21

Ion-pair recognition is a new field of research emerging from cation and anion coordination chemistry. Specific types of heteroditopic receptor designs for ion pairs and the complexity of ion-pair binding are discussed to illustrate key concepts such as cooperativity. The importance of this area of research is reflected by the wide variety of potential applications of ion-pair receptors, including applications as membrane transport and salt solubilization agents and sensors. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Electromagnetic Flow Meter Having a Driver Circuit Including a Current Transducer

NASA Technical Reports Server (NTRS)

Patel, Sandeep K. (Inventor); Karon, David M. (Inventor); Cushing, Vincent (Inventor)

2014-01-01

An electromagnetic flow meter (EMFM) accurately measures both the complete flow rate and the dynamically fluctuating flow rate of a fluid by applying a unipolar DC voltage to excitation coils for a predetermined period of time, measuring the electric potential at a pair of electrodes, determining a complete flow rate and independently measuring the dynamic flow rate during the "on" cycle of the DC excitation, and correcting the measurements for errors resulting from galvanic drift and other effects on the electric potential. The EMFM can also correct for effects from the excitation circuit induced during operation of the EMFM.
Effects of a Short Strategy Training on Metacognitive Monitoring across the Life-Span

ERIC Educational Resources Information Center

von der Linden, Nicole; Löffler, Elisabeth; Schneider, Wolfgang

2015-01-01

The present study was conducted to explore the potential positive influence of a short strategy training on metacognitive monitoring competencies covering a life-span approach. Participants of four age groups (3rd-grade children, adolescents, younger and older adults) concluded a paired-associate learning task. Additionally, they gave delayed…
Transcranial stimulation over the left inferior frontal gyrus increases false alarms in an associative memory task in older adults

DOE PAGES

Leach, Ryan C.; McCurdy, Matthew P.; Trumbo, Michael C.; ...

2016-07-15

Here, transcranial direct current stimulation (tDCS) is a potent ial tool for alleviating various forms of cognitive decline, including memory loss, in older adults. However, past effects of tDCS on cognitive ability have been mixed. One important potential moderator of tDCS effects is the baseline level of cognitive performance. We tested the effects of tDCS on face-name associative memory in older adults, who suffer from performance deficits in this task relative to younger adults. Stimulation was applied to the left inferior prefrontal cortex during encoding of face-name pairs, and memory was assessed with both a recognition and recall task. Asmore » a result, face–name memory performance was decreased with the use of tDCS. This result was driven by increased false alarms when recognizing rearranged face–name pairs.« less

Transcranial stimulation over the left inferior frontal gyrus increases false alarms in an associative memory task in older adults

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

Leach, Ryan C.; McCurdy, Matthew P.; Trumbo, Michael C.

Here, transcranial direct current stimulation (tDCS) is a potent ial tool for alleviating various forms of cognitive decline, including memory loss, in older adults. However, past effects of tDCS on cognitive ability have been mixed. One important potential moderator of tDCS effects is the baseline level of cognitive performance. We tested the effects of tDCS on face-name associative memory in older adults, who suffer from performance deficits in this task relative to younger adults. Stimulation was applied to the left inferior prefrontal cortex during encoding of face-name pairs, and memory was assessed with both a recognition and recall task. Asmore » a result, face–name memory performance was decreased with the use of tDCS. This result was driven by increased false alarms when recognizing rearranged face–name pairs.« less
A Bayesian adaptive design for biomarker trials with linked treatments

PubMed Central

Wason, James M S; Abraham, Jean E; Baird, Richard D; Gournaris, Ioannis; Vallier, Anne-Laure; Brenton, James D; Earl, Helena M; Mander, Adrian P

2015-01-01

Background: Response to treatments is highly heterogeneous in cancer. Increased availability of biomarkers and targeted treatments has led to the need for trial designs that efficiently test new treatments in biomarker-stratified patient subgroups. Methods: We propose a novel Bayesian adaptive randomisation (BAR) design for use in multi-arm phase II trials where biomarkers exist that are potentially predictive of a linked treatment's effect. The design is motivated in part by two phase II trials that are currently in development. The design starts by randomising patients to the control treatment or to experimental treatments that the biomarker profile suggests should be active. At interim analyses, data from treated patients are used to update the allocation probabilities. If the linked treatments are effective, the allocation remains high; if ineffective, the allocation changes over the course of the trial to unlinked treatments that are more effective. Results: Our proposed design has high power to detect treatment effects if the pairings of treatment with biomarker are correct, but also performs well when alternative pairings are true. The design is consistently more powerful than parallel-groups stratified trials. Conclusions: This BAR design is a powerful approach to use when there are pairings of biomarkers with treatments available for testing simultaneously. PMID:26263479
Does Discourse Congruence Influence Spoken Language Comprehension before Lexical Association? Evidence from Event-Related Potentials

PubMed Central

Boudewyn, Megan A.; Gordon, Peter C.; Long, Debra; Polse, Lara; Swaab, Tamara Y.

2011-01-01

The goal of this study was to examine how lexical association and discourse congruence affect the time course of processing incoming words in spoken discourse. In an ERP norming study, we presented prime-target pairs in the absence of a sentence context to obtain a baseline measure of lexical priming. We observed a typical N400 effect when participants heard critical associated and unassociated target words in word pairs. In a subsequent experiment, we presented the same word pairs in spoken discourse contexts. Target words were always consistent with the local sentence context, but were congruent or not with the global discourse (e.g., “Luckily Ben had picked up some salt and pepper/basil”, preceded by a context in which Ben was preparing marinara sauce (congruent) or dealing with an icy walkway (incongruent). ERP effects of global discourse congruence preceded those of local lexical association, suggesting an early influence of the global discourse representation on lexical processing, even in locally congruent contexts. Furthermore, effects of lexical association occurred earlier in the congruent than incongruent condition. These results differ from those that have been obtained in studies of reading, suggesting that the effects may be unique to spoken word recognition. PMID:23002319
Corticospinal Plasticity in Bilateral Primary Motor Cortices Induced by Paired Associative Stimulation to the Dominant Hemisphere Does Not Differ between Young and Older Adults

PubMed Central

Dickins, Daina S. E.

2017-01-01

Older adults have been shown to exhibit a reduction in the lateralization of neural activity. Although neuroplasticity induced by noninvasive brain stimulation has been reported to be attenuated in the targeted motor cortex of older adults, it remains possible that the plasticity effects may instead manifest in a more distributed (bilateral) network. Furthermore, attention, which modulates neuroplasticity in young adults, may influence these effects. To address these questions, plasticity was induced in young (19–32 years) and older (65–78 years) adults using transcranial magnetic stimulation (TMS) paired with peripheral nerve stimulation. The plasticity effects induced by this paired associative stimulation (PAS) protocol in the targeted and nontargeted hemispheres were probed using TMS-induced motor-evoked potentials (MEPs) recorded from the abductor pollicis brevis (APB) muscle of each hand. PAS-induced effects were highly variable across individuals, with only half of the participants in each group demonstrating the expected increase in MEP amplitude. Contrary to predictions, however, PAS-induced corticospinal plasticity manifests predominately in the targeted hemisphere for both young and older adults. Attention to the target hand did not enhance corticospinal plasticity. The results suggest that plasticity does not manifest differently across bilateral corticospinal pathways between young and older adults. PMID:29147586
Carry-over effects of the social environment on future divorce probability in a wild bird population

PubMed Central

Culina, Antica; Hinde, Camilla A.; Sheldon, Ben C.

2015-01-01

Initial mate choice and re-mating strategies (infidelity and divorce) influence individual fitness. Both of these should be influenced by the social environment, which determines the number and availability of potential partners. While most studies looking at this relationship take a population-level approach, individual-level responses to variation in the social environment remain largely unstudied. Here, we explore carry-over effects on future mating decisions of the social environment in which the initial mating decision occurred. Using detailed data on the winter social networks of great tits, we tested whether the probability of subsequent divorce, a year later, could be predicted by measures of the social environment at the time of pairing. We found that males that had a lower proportion of female associates, and whose partner ranked lower among these, as well as inexperienced breeders, were more likely to divorce after breeding. We found no evidence that a female's social environment influenced the probability of divorce. Our findings highlight the importance of the social environment that individuals experience during initial pair formation on later pairing outcomes, and demonstrate that such effects can be delayed. Exploring these extended effects of the social environment can yield valuable insights into processes and selective pressures acting upon the mating strategies that individuals adopt. PMID:26468239
Neutron-deuteron analyzing power data at En=22.5 MeV

NASA Astrophysics Data System (ADS)

Weisel, G. J.; Tornow, W.; Crowell, A. S.; Esterline, J. H.; Hale, G. M.; Howell, C. R.; O'Malley, P. D.; Tompkins, J. R.; Witała, H.

2014-05-01

We present measurements of n-d analyzing power, Ay(θ), at En=22.5 MeV. The experiment uses a shielded neutron source which produced polarized neutrons via the 2H(d⃗,n⃗)3He reaction. It also uses a deuterated liquid-scintillator center detector and six pairs of liquid-scintillator neutron side detectors. Elastic neutron scattering events are identified by using time-of-flight techniques and by setting a window in the center detector pulse-height spectrum. The beam polarization is monitored by using a high-pressure helium gas cell and an additional pair of liquid-scintillator side detectors. The n-d Ay(θ) data were corrected for finite-geometry and multiple-scattering effects using a Monte Carlo simulation of the experiment. The 22.5-MeV data demonstrate that the three-nucleon analyzing power puzzle also exists at this energy. They show a significant discrepancy with predictions of high-precision nucleon-nucleon potentials alone or combined with Tucscon-Melbourne or Urbana IX three-nucleon forces, as well as currently available effective-field theory based potentials of next-to-next-to-next-to-leading order.
ERP evidence for memory and predictive mechanisms in word-to-text integration

PubMed Central

Stafura, Joseph Z.; Rickles, Benjamin; Perfetti, Charles A.

2016-01-01

During reading, word-to-text integration processes proceed quickly and incrementally through both prospective (predictive) and retrospective (memory) processes. Across a sentence boundary, where prediction may be less functional, memorial processes may be especially important. We tested predictive and memory mechanisms with event-related potentials (ERPs) recorded on the first content word across a sentence boundary by manipulating the direction of association between this word and one from the preceding sentence. For comparison with this text comprehension (TC) task, we tested these same word pairs in a word meaning judgment (MJ) task. In both tasks we found reduced N400 amplitudes over central scalp electrodes when the two words were either forward-associated (FA) or backward-associated (BA), relative to task-specific baseline conditions. In the MJ task, FA pairs produced a greater reduction in the N400 reduction than BA pairs over right parietal areas. However, in the TC task, BA pairs produced a greater N400 reduction than FA pairs over left parietal electrodes. A temporal principal component analysis of TC and MJ data showed a component reflecting the central N400. Additional components from TC data reflected FA-BA differences during early (N200) and late (parietal N400 and LPC) phases of processing. Comprehension skill predicted association effects in the MJ task, especially FA, and the BA central N400 effects in the TC task. The results demonstrate that, beyond N400 indicators of prediction effects, ERPs reflect the role of memory processes in word-to-text integration across sentences, part of a dynamic interplay between anticipatory and memorial processes that support comprehension. PMID:27110578
Contextual conditioning enhances the psychostimulant and incentive properties of d-amphetamine in humans

PubMed Central

Childs, Emma; de Wit, Harriet

2014-01-01

Learned associations between drugs and the places they are used are critical to the development of drug addiction. Contextual conditioning has long been studied in animals as an indirect measure of drug reward, but little is known about the process in humans. Here, we investigated de novo contextual conditioning with d-amphetamine in healthy humans (n = 34). Volunteers underwent four conditioning sessions conducted in two testing rooms with double-blind, alternating d-amphetamine (20 mg) and placebo administration. Before conditioning procedures began, they rated the two rooms to examine pre-existing preferences. One group (Paired, n = 19) always received d-amphetamine in their least preferred room and placebo in the other during conditioning sessions. Another group (Unpaired, n = 15) received d-amphetamine and placebo in both rooms. Subjective drug effects were monitored at repeated times. At a separate re-exposure test, preference ratings for the drug-associated room were increased among the Paired group only, and more subjects in the Paired than the Unpaired group switched their preference to their initially least preferred room. Also, ratings of d-amphetamine drug liking independently predicted room liking at test among the Paired group only. Further, Paired group subjects reported greater stimulation and drug craving after d-amphetamine on the second administration, relative to the first. This study supports preliminary findings that humans, like animals, develop a preference for a place associated with d-amphetamine that is related to its subjective effects. These findings also suggest that experiencing d-amphetamine in a consistent environment produces context-dependent changes in its subjective effects, including an enhanced rewarding efficacy and abuse potential. PMID:22129527
Distribution, nesting activities, and age-class of territorial pairs of golden eagles at the Altamont Pass Wind Resource Area, California, 2014–16

USGS Publications Warehouse

Kolar, Patrick S.; Wiens, J. David

2017-03-22

The substantial numbers of golden eagles (Aquila chrysaetos) killed by collisions with oldgeneration wind turbines each year at the Altamont Pass Wind Resource Area (APWRA) in California has been well documented from previous studies. Few eagle nests have been documented in the APWRA, however, and adults and subadults 3+ years of age killed by turbines were generally not associated with nearby territories. We searched a subset of randomly selected survey plots for territorial pairs of golden eagles and associated nesting attempts within the APWRA as part of a broader investigation of population dynamics in the surrounding northern Diablo Range. In contrast to limited historical observations from 1988 to 2013, our surveys documented up to 15 territorial pairs within 3.2 kilometers (km) of wind turbines at the APWRA annually, 9 of which were not previously documented or only observed intermittently during historical surveys. We found evidence of nesting activity by adult pairs at least once during our study at six of these territories. We also determined that 23–36 percent of territories identified within 3.2 km of the APWRA had a subadult pair member, but that no pairs with a subadult member attempted to nest. These data will be useful to developers, wildlife managers, and future raptor studies in the area to evaluate and minimize the potential effects of wind energy or other development activities on previously unknown territorial pairs in the area.
The transfer function method for gear system dynamics applied to conventional and minimum excitation gearing designs

NASA Technical Reports Server (NTRS)

Mark, W. D.

1982-01-01

A transfer function method for predicting the dynamic responses of gear systems with more than one gear mesh is developed and applied to the NASA Lewis four-square gear fatigue test apparatus. Methods for computing bearing-support force spectra and temporal histories of the total force transmitted by a gear mesh, the force transmitted by a single pair of teeth, and the maximum root stress in a single tooth are developed. Dynamic effects arising from other gear meshes in the system are included. A profile modification design method to minimize the vibration excitation arising from a pair of meshing gears is reviewed and extended. Families of tooth loading functions required for such designs are developed and examined for potential excitation of individual tooth vibrations. The profile modification design method is applied to a pair of test gears.
A rule of seven in Watson-Crick base-pairing of mismatched sequences.

PubMed

Cisse, Ibrahim I; Kim, Hajin; Ha, Taekjip

2012-05-13

Sequence recognition through base-pairing is essential for DNA repair and gene regulation, but the basic rules governing this process remain elusive. In particular, the kinetics of annealing between two imperfectly matched strands is not well characterized, despite its potential importance in nucleic acid-based biotechnologies and gene silencing. Here we use single-molecule fluorescence to visualize the multiple annealing and melting reactions of two untethered strands inside a porous vesicle, allowing us to precisely quantify the annealing and melting rates. The data as a function of mismatch position suggest that seven contiguous base pairs are needed for rapid annealing of DNA and RNA. This phenomenological rule of seven may underlie the requirement for seven nucleotides of complementarity to seed gene silencing by small noncoding RNA and may help guide performance improvement in DNA- and RNA-based bio- and nanotechnologies, in which off-target effects can be detrimental.
Rashba sandwiches with topological superconducting phases

NASA Astrophysics Data System (ADS)

Volpez, Yanick; Loss, Daniel; Klinovaja, Jelena

2018-05-01

We introduce a versatile heterostructure harboring various topological superconducting phases characterized by the presence of helical, chiral, or unidirectional edge states. Changing parameters, such as an effective Zeeman field or chemical potential, one can tune between these three topological phases in the same setup. Our model relies only on conventional nontopological ingredients. The bilayer setup consists of an s -wave superconductor sandwiched between two two-dimensional electron gas layers with strong Rashba spin-orbit interaction. The interplay between two different pairing mechanisms, proximity induced direct and crossed Andreev superconducting pairings, gives rise to multiple topological phases. In particular, helical edge states occur if crossed Andreev superconducting pairing is dominant. In addition, an in-plane Zeeman field leads to a two-dimensional gapless topological phase with unidirectional edge states, which were previously predicted to exist only in noncentrosymmetric superconductors. If the Zeeman field is tilted out of the plane, the system is in a topological phase hosting chiral edge states.
Hydrogen bond disruption in DNA base pairs from (14)C transmutation.

PubMed

Sassi, Michel; Carter, Damien J; Uberuaga, Blas P; Stanek, Christopher R; Mancera, Ricardo L; Marks, Nigel A

2014-09-04

Recent ab initio molecular dynamics simulations have shown that radioactive carbon does not normally fragment DNA bases when it decays. Motivated by this finding, density functional theory and Bader analysis have been used to quantify the effect of C → N transmutation on hydrogen bonding in DNA base pairs. We find that (14)C decay has the potential to significantly alter hydrogen bonds in a variety of ways including direct proton shuttling (thymine and cytosine), thermally activated proton shuttling (guanine), and hydrogen bond breaking (cytosine). Transmutation substantially modifies both the absolute and relative strengths of the hydrogen bonding pattern, and in two instances (adenine and cytosine), the density at the critical point indicates development of mild covalent character. Since hydrogen bonding is an important component of Watson-Crick pairing, these (14)C-induced modifications, while infrequent, may trigger errors in DNA transcription and replication.
Functional definition of the N450 event-related brain potential marker of conflict processing: a numerical stroop study

PubMed Central

2012-01-01

Background Several conflict processing studies aimed to dissociate neuroimaging phenomena related to stimulus and response conflict processing. However, previous studies typically did not include a paradigm-independent measure of either stimulus or response conflict. Here we have combined electro-myography (EMG) with event-related brain potentials (ERPs) in order to determine whether a particularly robust marker of conflict processing, the N450 ERP effect usually related to the activity of the Anterior Cingulate Cortex (ACC), is related to stimulus- or to response-conflict processing. EMG provided paradigm-independent measure of response conflict. In a numerical Stroop paradigm participants compared pairs of digits and pressed a button on the side where they saw the larger digit. 50% of digit-pairs were preceded by an effective cue which provided accurate information about the required response. 50% of trials were preceded by a neutral cue which did not communicate the side of response. Results EMG showed that response conflict was significantly larger in neutrally than in effectively cued trials. The N450 was similar when response conflict was high and when it was low. Conclusions We conclude that the N450 is related to stimulus or abstract, rather than to response conflict detection/resolution. Findings may enable timing ACC conflict effects. PMID:22452924
Functional definition of the N450 event-related brain potential marker of conflict processing: a numerical stroop study.

PubMed

Szűcs, Dénes; Soltész, Fruzsina

2012-03-27

Several conflict processing studies aimed to dissociate neuroimaging phenomena related to stimulus and response conflict processing. However, previous studies typically did not include a paradigm-independent measure of either stimulus or response conflict. Here we have combined electro-myography (EMG) with event-related brain potentials (ERPs) in order to determine whether a particularly robust marker of conflict processing, the N450 ERP effect usually related to the activity of the Anterior Cingulate Cortex (ACC), is related to stimulus- or to response-conflict processing. EMG provided paradigm-independent measure of response conflict. In a numerical Stroop paradigm participants compared pairs of digits and pressed a button on the side where they saw the larger digit. 50% of digit-pairs were preceded by an effective cue which provided accurate information about the required response. 50% of trials were preceded by a neutral cue which did not communicate the side of response. EMG showed that response conflict was significantly larger in neutrally than in effectively cued trials. The N450 was similar when response conflict was high and when it was low. We conclude that the N450 is related to stimulus or abstract, rather than to response conflict detection/resolution. Findings may enable timing ACC conflict effects.
Semiclassical Models for Virtual Antiparticle Pairs, the Unit of Charge e, and the QCD Coupling alpha(sub s)

NASA Technical Reports Server (NTRS)

Batchelor, David; Zukor, Dorothy (Technical Monitor)

2001-01-01

New semiclassical models of virtual antiparticle pairs are used to compute the pair lifetimes, and good agreement with the Heisenberg lifetimes from quantum field theory (QFT) is found. The modeling method applies to both the electromagnetic and color forces. Evaluation of the action integral of potential field fluctuation for each interaction potential yields approximately Planck's constant/2 for both electromagnetic and color fluctuations, in agreement with QFT. Thus each model is a quantized semiclassical representation for such virtual antiparticle pairs, to good approximation. When the results of the new models and QFT are combined, formulae for e and alpha(sub s)(q) are derived in terms of only Planck's constant and c.
Interactions of the Asian Lady Beetle, Harmonia axyridis (Coleoptera: Coccinellidae), and the North American Native Lady Beetle, Coccinella novemnotata (Coleoptera: Coccinellidae): Prospects for Recovery Post-Decline.

PubMed

Ducatti, Rafael Dal Bosco; Ugine, Todd A; Losey, John

2017-02-01

The decline of the North American native lady beetle, Coccinella novemnotata Herbst, is strongly correlated with the introduction of Coccinella septempunctata L., and C. novemnotata are locally extirpated across much of the United States. Since C. novemnotata's decline, the invasive Harmonia axyridis Pallas has become dominant in North America. This study investigated whether H. axyridis has the potential to impede the recovery of C. novemnotata populations. To determine how H. axyridis interacts with C. novemnotata via intraguild predation and competition for prey, we paired first-instar C. novemnotata with first-instar H. axyridis at low and high densities of pea aphid. Coccinella novemnotata survival when paired interspecifically was significantly lower than H. axyridis survival at both aphid densities. Both species had similar weights at eclosion across aphid densities; however, H. axyridis developed faster than C. novemnotata. To examine the effect of larval size on intraguild interactions, we conducted a second experiment where we varied the C. novemnotata and H. axyridis instar in our pairings. Coccinella novemnotata survival and final weight increased when paired with younger H. axyridis larvae. The percentage survival of C. novemnotata in interspecific treatments, at the low aphid density, was lower than for same-aged C. novemnotata reared conspecifically, except for pairs initiated with C. novemnotata larvae that were two instars more advanced than H. axyridis larvae. These results suggest that intraguild predation and competition for prey by H. axyridis have the potential to affect the recovery of C. novemnotata populations negatively. © The Authors 2016. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.
Self-consistent description of the SHFB equations for 112Sn

NASA Astrophysics Data System (ADS)

Ghafouri, M.; Sadeghi, H.; Torkiha, M.

2018-03-01

The Hartree-Fock (HF) method is an excellent approximation of the closed shell magic nuclei. Pair correlation is essential for the description of open shell nuclei and has been derived for even-even, odd-odd and even-odd nuclei. These effects are reported by Hartree-Fock with BCS (HFBCS) or Hartree-Fock-Bogolyubov (HFB). These issues have been investigated, especially in the nuclear charts, and such studies have been compared with the observed information. We compute observations such as total binding energy, charge radius, densities, separation energies, pairing gaps and potential energy surfaces for neutrons and protons, and compare them with experimental data and the result of the spherical codes. In spherical even-even neutron-rich nuclei are considered in the Skyrme-Hartree-Fock-Bogolyubov (SHFB) method with density-dependent pairing interaction. Zero-range density-dependent interactions is used in the pairing channel. We solve SHF or SHFB equations in the spatial coordinates with spherical symmetry for tin isotopes such as 112Sn. The numerical accuracy of solving equations in the coordinate space is much greater than the fundamental extensions, which yields almost precise results.
Heterospecific pairing and hybridization between Nasutitermes corniger and N. ephratae

NASA Astrophysics Data System (ADS)

Hartke, Tamara R.; Rosengaus, Rebeca B.

2011-09-01

The sympatric neotropical termites Nasutitermes corniger and Nasutitermes ephratae are clearly distinguishable based on morphology, nest architecture, defensive secretion composition, and molecular markers. However, given the extensive ecological, geographical, and behavioral overlap of these closely related species, the potential for interbreeding may exist. To explore this possibility, heterospecific pairs were formed experimentally to examine courtship and colony-establishment behaviors, and reproductive potential. Courtship and nest construction behavior occurred in heterospecific pairs in a similar manner to that of conspecific pairs. Survival of pairs depended upon the species of the female partner. N. ephratae females paired with N. corniger males produced as many offspring as conspecific pairs. N. corniger females mated to N. ephratae males, however, produced significantly fewer offspring at 60 days post-establishment than the reciprocal cross or conspecific N. ephratae or N. corniger pairs. This was also the only pairing in which any aggression was observed. Heterospecific pairs and groups formed in mate choice mesocosms, suggesting that species recognition between these two termites is not an important aspect of mate choice. Overall, species mismatch tolerance and hybrid offspring viability are high. The present data, together with previous evidence from defensive secretions and isozyme analysis, suggest that hybridization may periodically occur in nature, and that reproductive barriers between these two species may be incomplete. Hybridization could provide a rare but important source of genetic diversity and may ensure mating opportunities for the more abundant sex of alates in each species.
Nucleic acid duplexes incorporating a dissociable covalent base pair

NASA Technical Reports Server (NTRS)

Gao, K.; Orgel, L. E.; Bada, J. L. (Principal Investigator)

1999-01-01

We have used molecular modeling techniques to design a dissociable covalently bonded base pair that can replace a Watson-Crick base pair in a nucleic acid with minimal distortion of the structure of the double helix. We introduced this base pair into a potential precursor of a nucleic acid double helix by chemical synthesis and have demonstrated efficient nonenzymatic template-directed ligation of the free hydroxyl groups of the base pair with appropriate short oligonucleotides. The nonenzymatic ligation reactions, which are characteristic of base paired nucleic acid structures, are abolished when the covalent base pair is reduced and becomes noncoplanar. This suggests that the covalent base pair linking the two strands in the duplex is compatible with a minimally distorted nucleic acid double-helical structure.

Evidence for adverse reproductive outcomes among women microelectronic assembly workers.

PubMed Central

Huel, G; Mergler, D; Bowler, R

1990-01-01

Microelectronics assembly entails complex processes where several potentially fetotoxic chemical compounds are used extensively. This study was undertaken to assess the potential adverse reproductive outcomes among former women workers in a microelectronics assembly plant in New Mexico with respect to a comparable population from the same geographical region and to examine the relation between these outcomes and employment history in this plant. After matching a pool of 143 former microelectronic female workers and 105 referents, 90 former microelectronic female worker-referent pairs were constituted (representing 302 and 324 pregnancies in former workers and referents respectively). The odds ratio (for pair matching design) of spontaneous abortion among women workers, before beginning to assemble microelectronic components, was 0.9 (chi 2 = 0.04; NS). After the beginning of employment this odds ratio became 5.6 (chi 2 = 9.8; p less than 1%). This estimated odds ratio decreased to 4.0, taking into account the increased risk for spontaneous abortion in previous pregnancies before employment (chi 2 = 5.4; p less than 5%). It was not possible to determine if this effect was reversible owing to the small number of pairs available after employment. The findings of this study corroborate the results of former studies that suggest a potential association between electronic manufacturing activity and risk of spontaneous abortion. Although the organic solvents were suspected of being the potential risk factor, this study was inconclusive from this point of view. Nevertheless, these investigations may provide some insight into reproductive outcomes among female workers exposed to solvents. PMID:2378817
Heavy quark complex potential in a strongly magnetized hot QGP medium

NASA Astrophysics Data System (ADS)

Singh, Balbeer; Thakur, Lata; Mishra, Hiranmaya

2018-05-01

We study the effect of a strong constant magnetic field, generated in relativistic heavy ion collisions, on the heavy quark complex potential. We work in the strong magnetic field limit with the lowest Landau level approximation. We find that the screening of the real part of the potential increases with the increase in the magnetic field. Therefore, we expect less binding of the Q Q ¯ pair in the presence of a strong magnetic field. The imaginary part of the potential increases in magnitude with the increase in magnetic field, leading to an increase of the width of the quarkonium state with the magnetic field. All of these effects result in the early dissociation of Q Q ¯ states in a magnetized hot quark-gluon plasma medium.
Simple physics-based analytical formulas for the potentials of mean force of the interaction of amino-acid side chains in water. V. Like-charged side chains.

PubMed

Makowski, Mariusz; Liwo, Adam; Sobolewski, Emil; Scheraga, Harold A

2011-05-19

A new model of side-chain-side-chain interactions for charged side-chains of amino acids, to be used in the UNRES force-field, has been developed, in which a side chain consists of a nonpolar and a charged site. The interaction energy between the nonpolar sites is composed of a Gay-Berne and a cavity term; the interaction energy between the charged sites consists of a Lennard-Jones term, a Coulombic term, a generalized-Born term, and a cavity term, while the interaction energy between the nonpolar and charged sites is composed of a Gay-Berne and a polarization term. We parametrized the energy function for the models of all six pairs of natural like-charged amino-acid side chains, namely propionate-propionate (for the aspartic acid-aspartic acid pair), butyrate-butyrate (for the glutamic acid-glutamic acid pair), propionate-butyrate (for the aspartic acid-glutamic acid pair), pentylamine cation-pentylamine cation (for the lysine-lysine pair), 1-butylguanidine cation-1-butylguanidine cation (for the arginine-arginine pair), and pentylamine cation-1-butylguanidine cation (for the lysine-arginine pair). By using umbrella-sampling molecular dynamics simulations in explicit TIP3P water, we determined the potentials of mean force of the above-mentioned pairs as functions of distance and orientation and fitted analytical expressions to them. The positions and depths of the contact minima and the positions and heights of the desolvation maxima, including their dependence on the orientation of the molecules were well represented by analytical expressions for all systems. The values of the parameters of all the energy components are physically reasonable, which justifies use of such potentials in coarse-grain protein-folding simulations. © 2011 American Chemical Society
Are physicians and patients in agreement? Exploring dyadic concordance.

PubMed

Coran, Justin J; Koropeckyj-Cox, Tanya; Arnold, Christa L

2013-10-01

Dyadic concordance in physician-patient interactions can be defined as the extent of agreement between physicians and patients in their perceptions of the clinical encounter. The current research specifically examined two types of concordance: informational concordance-the extent of agreement in physician and patient responses regarding patient information (education, self-rated health, pain); and interactional concordance-the extent of physician-patient agreement regarding the patient's level of confidence and trust in the physician and the perceived quality of explanations concerning diagnosis and treatment. Using a convenience sample of physicians and patients (N = 50 dyads), a paired survey method was tested, which measured and compared physician and patient reports to identify informational and interactional concordances. Factors potentially related to dyadic concordance were also measured, including demographic characteristics (patient race, gender, age, and education) and clinical factors (whether this was a first visit and physician specialty in family medicine or oncology). The paired survey showed informational discordances, as physicians tended to underestimate patients' pain and overestimate patient education. Interactional discordances included overestimating patients' understanding of diagnosis and treatment explanations and patients' level of confidence and trust. Discordances were linked to patient dissatisfaction with physician listening, having unanswered questions, and feeling the physician had not spent enough time. The paired survey method effectively identified physician-patient discordances that may interfere with effective medical practice; this method may be used in various settings to identify potential areas of improvement in health communication and education.
Disentangling the response of streamflow to forest management and climate

NASA Astrophysics Data System (ADS)

Dymond, S.; Miniat, C.; Bladon, K. D.; Keppeler, E.; Caldwell, P. V.

2016-12-01

Paired watershed studies have showcased the relationships between forests, management, and streamflow. However, classical analyses of paired-watershed studies have done little to disentangle the effects of management from overarching climatic signals, potentially masking the interaction between management and climate. Such approaches may confound our understanding of how forest management impacts streamflow. Here we use a 50-year record of streamflow and climate data from the Caspar Creek Experimental Watersheds (CCEW), California, USA to separate the effects of forest management and climate on streamflow. CCEW has two treatment watersheds that have been harvested in the past 50 years. We used a nonlinear mixed model to combine the pre-treatment relationship between streamflow and climate and the post-treatment relationship via an interaction between climate and management into one equation. Our results show that precipitation and potential evapotranspiration alone can account for >95% of the variability in pre-treatment streamflow. Including management scenarios into the model explained most of the variability in streamflow (R2 > 0.98). While forest harvesting altered streamflow in both of our modeled watersheds, removing 66% of the vegetation via selection logging using a tractor yarding system over the entire watershed had a more substantial impact on streamflow than clearcutting small portions of a watershed using cable-yarding. These results suggest that forest harvesting may result in differing impacts on streamflow and highlights the need to incorporate climate into streamflow analyses of paired-watershed studies.
Context-dependent effects of rimonabant on ethanol-induced conditioned place preference in female mice.

PubMed

Silva, Aline A F; Barbosa-Souza, Evelyn; Confessor-Carvalho, Cassio; Silva, Raiany R R; De Brito, Ana Carolina L; Cata-Preta, Elisangela G; Silva Oliveira, Thaynara; Berro, Lais F; Oliveira-Lima, Alexandre J; Marinho, Eduardo A V

2017-10-01

The CB1 receptor antagonist rimonabant has been previously found to prevent behavioral effects of drugs of abuse in a context-dependent manner, suggesting an important role of endocannabinoid signaling in drug-induced environmental conditioning. The aim of the present study was to evaluate the effects of rimonabant on ethanol-induced conditioned place preference (CPP) in female mice. Animals were conditioned with saline or ethanol (1.8g/kg) during 8 sessions, and subsequently treated with either saline or rimonabant (1 or 10mg/kg) in the CPP environment previously associated with saline (unpaired) or ethanol (paired) for 6 consecutive days. Animals were then challenged with ethanol (1.8g/kg) in the ethanol-paired environment and ethanol-induced CPP was quantified on the following day. While treatment with 1mg/kg rimonabant in the saline-associated environment had no effects on the subsequent expression of ethanol-induced CPP, it blocked the expression of CPP to ethanol when paired to the ethanol-associated environment. When given in the ethanol-paired environment, 10mg/kg rimonabant induced aversion to the ethanol-associated environment. The same aversion effect was observed for 10mg/kg rimonabant when given in the saline-associated environment, thereby potentiating the expression of ethanol-induced CPP. Importantly, rimonabant did not induce CPP or conditioned place aversion on its own. Controlling for the estrous cycle phase showed no influences of hormonal cycle on the development and expression of ethanol-induced CPP. Our data suggest that rimonabant reduces the rewarding properties of ethanol by abolishing drug-environment conditioning in the CPP paradigm in a context-dependent manner. Copyright © 2017 Elsevier B.V. All rights reserved.
Modeling the Electrostatics of Hollow Shell Suspensions: Ion Distribution, Pair Interactions, and Many-Body Effects.

PubMed

Hallez, Yannick; Meireles, Martine

2016-10-11

Electrostatic interactions play a key role in hollow shell suspensions as they determine their structure, stability, thermodynamics, and rheology and also the loading capacity of small charged species for nanoreservoir applications. In this work, fast, reliable modeling strategies aimed at predicting the electrostatics of hollow shells for one, two, and many colloids are proposed and validated. The electrostatic potential inside and outside a hollow shell with a finite thickness and a specific permittivity is determined analytically in the Debye-Hückel (DH) limit. An expression for the interaction potential between two such hollow shells is then derived and validated numerically. It follows a classical Yukawa form with an effective charge depending on the shell geometry, permittivity, and inner and outer surface charge densities. The predictions of the Ornstein-Zernike (OZ) equation with this pair potential to determine equations of state are then evaluated by comparison to results obtained with a Brownian dynamics algorithm coupled to the resolution of the linearized Poisson-Boltzmann and Laplace equations (PB-BD simulations). The OZ equation based on the DLVO-like potential performs very well in the dilute regime as expected, but also quite well, and more surprisingly, in the concentrated regime in which full spheres exhibit significant many-body effects. These effects are shown to vanish for shells with small thickness and high permittivity. For highly charged hollow shells, we propose and validate a charge renormalization procedure. Finally, using PB-BD simulations, we show that the cell model predicts the ion distribution inside and outside hollow shells accurately in both electrostatically dilute and concentrated suspensions. We then determine the shell loading capacity as a function of salt concentration, volume fraction, and surface charge density for nanoreservoir applications such as drug delivery, sensing, or smart coatings.
Intermolecular interactions of trifluorohalomethanes with Lewis bases in the gas phase: an ab initio study.

PubMed

Wang, Yi-Siang; Yin, Chih-Chien; Chao, Sheng D

2014-10-07

We perform an ab initio computational study of molecular complexes with the general formula CF3X-B that involve one trifluorohalomethane CF3X (X = Cl or Br) and one of a series of Lewis bases B in the gas phase. The Lewis bases are so chosen that they provide a range of electron-donating abilities for comparison. Based on the characteristics of their electron pairs, we consider the Lewis bases with a single n-pair (NH3 and PH3), two n-pairs (H2O and H2S), two n-pairs with an unsaturated bond (H2CO and H2CS), and a single π-pair (C2H4) and two π-pairs (C2H2). The aim is to systematically investigate the influence of the electron pair characteristics and the central atom substitution effects on the geometries and energetics of the formed complexes. The counterpoise-corrected supermolecule MP2 and coupled-cluster single double with perturbative triple [CCSD(T)] levels of theory have been employed, together with a series of basis sets up to aug-cc-pVTZ. The angular and radial configurations, the binding energies, and the electrostatic potentials of the stable complexes have been compared and discussed as the Lewis base varies. For those complexes where halogen bonding plays a significant role, the calculated geometries and energetics are consistent with the σ-hole model. Upon formation of stable complexes, the C-X bond lengths shorten, while the C-X vibrational frequencies increase, thus rendering blueshifting halogen bonds. The central atom substitution usually enlarges the intermolecular bond distances while it reduces the net charge transfers, thus weakening the bond strengths. The analysis based on the σ-hole model is grossly reliable but requires suitable modifications incorporating the central atom substitution effects, in particular, when interaction components other than electrostatic contributions are involved.
Sequence specificity, statistical potentials, and three-dimensional structure prediction with self-correcting distance geometry calculations of beta-sheet formation in proteins.

PubMed Central

Zhu, H.; Braun, W.

1999-01-01

A statistical analysis of a representative data set of 169 known protein structures was used to analyze the specificity of residue interactions between spatial neighboring strands in beta-sheets. Pairwise potentials were derived from the frequency of residue pairs in nearest contact, second nearest and third nearest contacts across neighboring beta-strands compared to the expected frequency of residue pairs in a random model. A pseudo-energy function based on these statistical pairwise potentials recognized native beta-sheets among possible alternative pairings. The native pairing was found within the three lowest energies in 73% of the cases in the training data set and in 63% of beta-sheets in a test data set of 67 proteins, which were not part of the training set. The energy function was also used to detect tripeptides, which occur frequently in beta-sheets of native proteins. The majority of native partners of tripeptides were distributed in a low energy range. Self-correcting distance geometry (SECODG) calculations using distance constraints sets derived from possible low energy pairing of beta-strands uniquely identified the native pairing of the beta-sheet in pancreatic trypsin inhibitor (BPTI). These results will be useful for predicting the structure of proteins from their amino acid sequence as well as for the design of proteins containing beta-sheets. PMID:10048326
An electromyographic study of muscle relaxants in man.

PubMed

Suzuki, H; Kanayama, T; Nakagawa, H; Yazaki, S; Shiratsuchi, T

1975-05-01

Supramaximal paired stimuli were applied to the ulnar nerve, and the amplitude of the muscle action potential evoked in the abductor digiti minimi by the second member of the stimulus pair (test response) was compared with that evoked by the first component (conditioning response). The interval between the two components of the stimulus pair (the pair interval) was increased stepwise from 7 to 100 msec and a curve (recovery curve) was obtained by relating the changes in pair interval to the difference in amplitude of the test and conditioning responses. Alterations of the recovery curve (RC) during partial paralysis by muscle relaxants were investigated in healthy adult patients under the lightest plane of general anaesthesia. The control curve obtained in 32 subjects before the administration of a muscle relaxant drug was characterized by slight depressions at very short intervals of paired stimuli, followed by a slight potentiation at 20-100 msec. With non-depolarizing relaxants, RC altered to the characteristic pattern of potentiation at very short intervals of stimuli, followed by a notable depression at longer intervals. In depolarizing blocks with small doses of suxamethonium, the depression of RC at short intervals in the control was enhanced and the pattern of RC was different from that of non-depolarizing agents. When desensitization blocks were instigated by the i.v. administration of suxamethonium, the RC patterns were similar to those of competitive agents.
A Theoretical Approach to Selection of a Biologically Active Substance in Ultra-Low Doses for Effective Action on a Biological System.

PubMed

Boldyreva, Liudmila Borisovna

2018-05-01

An approach is offered to selecting a biologically active substance (BAS) in ultra-low dose for effective action on a biological system (BS). The technique is based on the assumption that BAS in ultra-low doses exerts action on BS by means of spin supercurrent emerging between the spin structure created by BAS, on the one hand, and the spin structure created by BS, on the other hand. According to modern quantum-mechanical concepts, these spin structures may be virtual particles pairs having precessing spin (that is, be essentially spin vortices in the physical vacuum) and created by the quantum entities that BAS and BS consist of. The action is effective provided there is equality of precession frequencies of spins in these spin structures. In this work, some methods are considered for determining the precession frequencies of spins in virtual particles pairs: (1) determination of energy levels of quantum entities that BS and BAS consist of; (2) the use of spin-flip effect of the virtual particles pair spin, the effect being initiated by action of magnetic vector potential (the spin-flip effect takes place when the varied frequency of the magnetic vector potential equals the precession frequency of the spin); (3) determining the frequencies of photons effectively acting on BS. It is shown that the effect of BAS in ultra-low doses on BS can be replaced by the effect of a beam of low-intensity photons, if the frequency of photons equals the precession frequency of spin in spin structures created by BS. Consequently, the color of bodies placed near a biological system is able to exert an effective action on the biological system: that is "color therapy" is possible. It is also supposed that the spin-flip effect may be used not only for determining the precession frequency of spin in spin structures created by BS but also for therapeutic action on biological systems. The Faculty of Homeopathy.
Electron Pairing, Repulsion, and Correlation: A Simplistic Approach

ERIC Educational Resources Information Center

Olsson, Lars-Fride; Kloo, Lars

2004-01-01

The interplay between a nucleus and an electron pair is explained through a basic application of an electrostatic and balanced model to determine the correlated and repulsive movements of the electron pair. The stable correlation depends on the positive charge produced by the combined force, which in turn establishes a negative potential energy.
Lone pairs: an electrostatic viewpoint.

PubMed

Kumar, Anmol; Gadre, Shridhar R; Mohan, Neetha; Suresh, Cherumuttathu H

2014-01-16

A clear-cut definition of lone pairs has been offered in terms of characteristics of minima in molecular electrostatic potential (MESP). The largest eigenvalue and corresponding eigenvector of the Hessian at the minima are shown to distinguish lone pair regions from the other types of electron localization (such as π bonds). A comparative study of lone pairs as depicted by various other scalar fields such as the Laplacian of electron density and electron localization function is made. Further, an attempt has been made to generalize the definition of lone pairs to the case of cations.
Stimulus Modality and Smoking Behavior: Moderating Role of Implicit Attitudes.

PubMed

Ezeh, Valentine C; Mefoh, Philip

2015-07-20

This study investigated whether stimulus modality influences smoking behavior among smokers in South Eastern Nigeria and also whether implicit attitudes moderate the relationship between stimulus modality and smoking behavior. 60 undergraduate students of University of Nigeria, Nsukka were used. Participants were individually administered the IAT task as a measure of implicit attitude toward smoking and randomly assigned into either image condition that paired images of cigarette with aversive images of potential health consequences or text condition that paired images of cigarette with aversive texts of potential health consequences. A one- predictor and one-moderator binary logistic analysis indicates that stimulus modality significantly predicts smoking behavior (p = < .05) with those in the image condition choosing not to smoke with greater probability than the text condition. The interaction between stimulus modality and IAT scores was also significant (p = < .05). Specifically, the modality effect was larger for participants in the image group who held more negative implicit attitudes towards smoking. The finding shows the urgent need to introduce the use of aversive images of potential health consequences on cigarette packs in Nigeria.
Testing asymmetries in noncognate translation priming: Evidence from RTs and ERPs

PubMed Central

SCHOONBAERT, SOFIE; HOLCOMB, PHILLIP J.; GRAINGER, JONATHAN; HARTSUIKER, ROBERT J.

2012-01-01

In this study, English–French bilinguals performed a lexical decision task while reaction times (RTs) and event related potentials (ERPs) were measured to L2 targets, preceded by noncognate L1 translation primes versus L1 unrelated primes (Experiment 1a) and vice versa (Experiment 1b). The prime–target stimulus onset asynchrony was 120 ms. Significant masked translation priming was observed, indicated by faster reaction times and a decreased N400 for translation pairs as opposed to unrelated pairs, both from L1 to L2 (Experiment 1a) and from L2 to L1 (Experiment 1b), with the latter effect being weaker (RTs) and less longer lasting (ERPs). A translation priming effect was also found in the N250 ERP component, and this effect was stronger and earlier in the L2 to L1 priming direction than the reverse. The results are discussed with respect to possible mechanisms at the basis of asymmetric translation priming effects in bilinguals. PMID:20557483
Effects of theta burst stimulation on motor cortex excitability in Parkinson's disease.

PubMed

Zamir, Orit; Gunraj, Carolyn; Ni, Zhen; Mazzella, Filomena; Chen, Robert

2012-04-01

Long-term potentiation (LTP)-like plasticity induced by paired associative stimulation (PAS) is impaired in Parkinson's disease (PD). Intermittent theta burst stimulation (iTBS) is another rTMS protocol that produces LTP-like effects and increases cortical excitability but its effects are independent of afferent input. The aim of the present study was to examine the effects of iTBS on cortical excitability in PD. iTBS was applied to the motor cortex in 10 healthy subjects and 12 PD patients ON and OFF dopaminergic medications. Motor evoked potential (MEP) before and for 60 min after iTBS were used to examine the changes in cortical excitability induced by iTBS. Paired-pulse TMS was used to test whether intracortical circuits, including short interval intracortical inhibition, intracortical facilitation, short and long latency afferent inhibition, were modulated by iTBS. After iTBS, the control, PD ON and OFF groups had similar increases in MEP amplitude compared to baseline over the course of 60 min. Changes in intracortical circuits induced by iTBS were also similar for the different groups. iTBS produced similar effects on cortical excitability for PD patients and controls. Spike-timing dependent heterosynaptic LTP-like plasticity induced by PAS may be more impaired in PD than frequency dependent homosynaptic LTP-like plasticity induced by iTBS. Copyright © 2011 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.
Evaluating endocrine endpoints relative to reproductive success in Japanese quail exposed to estrogenic chemicals [poster

USGS Publications Warehouse

Henry, P.F.P.; Russek-Cohen, E.; Casey, C.S.; Abdelnabi, M.A.; Ottinger, M.A.

2000-01-01

The standard US EPA guidelines for avian reproductive testing may not be sufficiently sensitive to detect effects of sublethal and chronic exposure to endocrine disrupting toxins. There is a need to evaluate endocrine endpoints as potential markers for contaminant effects, and to determine their effectiveness and sensitivity when applied to wildlife. To this end, a three generational test was conducted using the Japanese quail (Coturnix japonica) and a proven estrogenic PCB. Birds were exposed during embryonic development via maternal deposition and/or direct egg injection at day 4. Standard measures of reproductive success and productivity used in toxicological studies, as well as multiple measures of physiological and behavioral responses used in endocrine studies were collected. Long term effects on growth and apparent development were similar between treated and control offspring. Fertility of treated eggs decreased from 75%+ 4.4 (x + se) for P1, to 59% + 12.5 for F1 and 54% + 14.2 for F2. All paired control birds mated to produce viable eggs, whereas 27 % of the F1 and 41 % of the F2 treated pairs failed to produce at least 1 viable egg. Although some decreases in productivity can be related to direct toxic exposure, the response from one generation to the next was not linear with treatment, indicating a potential effect from behavioral or other endocrine alterations.
Rough Interface Effects on N-S Proximity-Contact Systems

NASA Astrophysics Data System (ADS)

Nagato, Yasushi; Nagai, Katsuhiko

2003-03-01

We discuss the influence of atomic scale roughness of the interface on the properties of the N-S contact systems. To treat the interface roughness effects we extend our previous quasi-classical theory of the rough surface effect and construct a formal solution for the quasi-classical Green's function. We apply the formulation to N-S systems with two-dimensional anisotropic dx2-y2 superconductor and calculate the self-consistent pair potential and the density of states at the interface.
Test-potentiated learning: three independent replications, a disconfirmed hypothesis, and an unexpected boundary condition.

PubMed

Wissman, Kathryn T; Rawson, Katherine A

2018-04-01

Arnold and McDermott [(2013). Test-potentiated learning: Distinguishing between direct and indirect effects of testing. Journal of Experimental Psychology: Learning, Memory, and Cognition, 39, 940-945] isolated the indirect effects of testing and concluded that encoding is enhanced to a greater extent following more versus fewer practice tests, referred to as test-potentiated learning. The current research provided further evidence for test-potentiated learning and evaluated the covert retrieval hypothesis as an alternative explanation for the observed effect. Learners initially studied foreign language word pairs and then completed either one or five practice tests before restudy occurred. Results of greatest interest concern performance on test trials following restudy for items that were not correctly recalled on the test trials that preceded restudy. Results replicate Arnold and McDermott (2013) by demonstrating that more versus fewer tests potentiate learning when trial time is limited. Results also provide strong evidence against the covert retrieval hypothesis concerning why the effect occurs (i.e., it does not reflect differential covert retrieval during pre-restudy trials). In addition, outcomes indicate that the magnitude of the test-potentiated learning effect decreases as trial length increases, revealing an unexpected boundary condition to test-potentiated learning.
Nucleic acid duplexes incorporating a dissociable covalent base pair

PubMed Central

Gao, Kui; Orgel, Leslie E.

1999-01-01

We have used molecular modeling techniques to design a dissociable covalently bonded base pair that can replace a Watson-Crick base pair in a nucleic acid with minimal distortion of the structure of the double helix. We introduced this base pair into a potential precursor of a nucleic acid double helix by chemical synthesis and have demonstrated efficient nonenzymatic template-directed ligation of the free hydroxyl groups of the base pair with appropriate short oligonucleotides. The nonenzymatic ligation reactions, which are characteristic of base paired nucleic acid structures, are abolished when the covalent base pair is reduced and becomes noncoplanar. This suggests that the covalent base pair linking the two strands in the duplex is compatible with a minimally distorted nucleic acid double-helical structure. PMID:10611299

To predict or not to predict: influences of task and strategy on the processing of semantic relations.

PubMed

Roehm, Dietmar; Bornkessel-Schlesewsky, Ina; Rösler, Frank; Schlesewsky, Matthias

2007-08-01

We report a series of event-related potential experiments designed to dissociate the functionally distinct processes involved in the comprehension of highly restricted lexical-semantic relations (antonyms). We sought to differentiate between influences of semantic relatedness (which are independent of the experimental setting) and processes related to predictability (which differ as a function of the experimental environment). To this end, we conducted three ERP studies contrasting the processing of antonym relations (black-white) with that of related (black-yellow) and unrelated (black-nice) word pairs. Whereas the lexical-semantic manipulation was kept constant across experiments, the experimental environment and the task demands varied: Experiment 1 presented the word pairs in a sentence context of the form The opposite of X is Y and used a sensicality judgment. Experiment 2 used a word pair presentation mode and a lexical decision task. Experiment 3 also examined word pairs, but with an antonymy judgment task. All three experiments revealed a graded N400 response (unrelated > related > antonyms), thus supporting the assumption that semantic associations are processed automatically. In addition, the experiments revealed that, in highly constrained task environments, the N400 gradation occurs simultaneously with a P300 effect for the antonym condition, thus leading to the superficial impression of an extremely "reduced" N400 for antonym pairs. Comparisons across experiments and participant groups revealed that the P300 effect is not only a function of stimulus constraints (i.e., sentence context) and experimental task, but that it is also crucially influenced by individual processing strategies used to achieve successful task performance.
Binding neutral information to emotional contexts: Brain dynamics of long-term recognition memory.

PubMed

Ventura-Bort, Carlos; Löw, Andreas; Wendt, Julia; Moltó, Javier; Poy, Rosario; Dolcos, Florin; Hamm, Alfons O; Weymar, Mathias

2016-04-01

There is abundant evidence in memory research that emotional stimuli are better remembered than neutral stimuli. However, effects of an emotionally charged context on memory for associated neutral elements is also important, particularly in trauma and stress-related disorders, where strong memories are often activated by neutral cues due to their emotional associations. In the present study, we used event-related potentials (ERPs) to investigate long-term recognition memory (1-week delay) for neutral objects that had been paired with emotionally arousing or neutral scenes during encoding. Context effects were clearly evident in the ERPs: An early frontal ERP old/new difference (300-500 ms) was enhanced for objects encoded in unpleasant compared to pleasant and neutral contexts; and a late central-parietal old/new difference (400-700 ms) was observed for objects paired with both pleasant and unpleasant contexts but not for items paired with neutral backgrounds. Interestingly, objects encoded in emotional contexts (and novel objects) also prompted an enhanced frontal early (180-220 ms) positivity compared to objects paired with neutral scenes indicating early perceptual significance. The present data suggest that emotional--particularly unpleasant--backgrounds strengthen memory for items encountered within these contexts and engage automatic and explicit recognition processes. These results could help in understanding binding mechanisms involved in the activation of trauma-related memories by neutral cues.
Renormalization of Coulomb interactions in s-wave superconductor NaxCoO2

NASA Astrophysics Data System (ADS)

Yada, Keiji; Kontani, Hiroshi

2007-03-01

We study the renormalized Coulomb interactions due to retardation effect in NaxCoO2. Although the Morel Anderson's pseudo-potential for a1g orbital μa1g* is relatively large because the direct Coulomb repulsion U is large, that for interband transition between a1g and eg' orbitals μa1g,eg'* is very small since the renormalization factor for pair hopping J is square of that for U. Therefore, the s-wave superconductivity due to valence-band Suhl-Kondo mechanism will survive against strong Coulomb interactions. The interband hopping of Cooper pairs due to shear phonons is essential to understand the superconductivity in NaxCoO2.
Cortical Plasticity Induction by Pairing Subthalamic Nucleus Deep-Brain Stimulation and Primary Motor Cortical Transcranial Magnetic Stimulation in Parkinson's Disease.

PubMed

Udupa, Kaviraja; Bahl, Nina; Ni, Zhen; Gunraj, Carolyn; Mazzella, Filomena; Moro, Elena; Hodaie, Mojgan; Lozano, Andres M; Lang, Anthony E; Chen, Robert

2016-01-13

Noninvasive brain stimulation studies have shown abnormal motor cortical plasticity in Parkinson's disease (PD). These studies used peripheral nerve stimulation paired with transcranial magnetic stimulation (TMS) to primary motor cortex (M1) at specific intervals to induce plasticity. Induction of cortical plasticity through stimulation of the basal ganglia (BG)-M1 connections has not been studied. In the present study, we used a novel technique of plasticity induction by repeated pairing of deep-brain stimulation (DBS) of the BG with M1 stimulation using TMS. We hypothesize that repeated pairing of subthalamic nucleus (STN)-DBS and M1-TMS at specific time intervals will lead to plasticity in the M1. Ten PD human patients with STN-DBS were studied in the on-medication state with DBS set to 3 Hz. The interstimulus intervals (ISIs) between STN-DBS and TMS that produced cortical facilitation were determined individually for each patient. Three plasticity induction conditions with repeated pairings (180 times) at specific ISIs (∼ 3 and ∼ 23 ms) that produced cortical facilitation and a control ISI of 167 ms were tested in random order. Repeated pairing of STN-DBS and M1-TMS at short (∼ 3 ms) and medium (∼ 23 ms) latencies increased M1 excitability that lasted for at least 45 min, whereas the control condition (fixed ISI of 167 ms) had no effect. There were no specific changes in motor thresholds, intracortical circuits, or recruitment curves. Our results indicate that paired-associative cortical plasticity can be induced by repeated STN and M1 stimulation at specific intervals. These results show that STN-DBS can modulate cortical plasticity. We introduced a new experimental paradigm to test the hypothesis that pairing subthalamic nucleus deep-brain stimulation (STN-DBS) with motor cortical transcranial magnetic stimulation (M1-TMS) at specific times can induce cortical plasticity in patients with Parkinson's disease (PD). We found that repeated pairing of STN-DBS with TMS at short (∼ 3 ms) and medium (∼ 23 ms) intervals increased cortical excitability that lasted for up to 45 min, whereas the control condition (fixed latency of 167 ms) had no effects on cortical excitability. This is the first demonstration of associative plasticity in the STN-M1 circuits in PD patients using this novel technique. The potential therapeutic effects of combining DBS and noninvasive cortical stimulation should be investigated further. Copyright © 2016 the authors 0270-6474/16/360397-09$15.00/0.
A Macroscopic Analogue of the Nuclear Pairing Potential

ERIC Educational Resources Information Center

Dunlap, Richard A.

2013-01-01

A macroscopic system involving permanent magnets is used as an analogue to nucleons in a nucleus to illustrate the significance of the pairing interaction. This illustrates that the view of the total nuclear energy based only on the nucleon occupancy of the energy levels can yield erroneous results and it is only when the pairing interaction is…
Molecular electrostatics for probing lone pair-π interactions.

PubMed

Mohan, Neetha; Suresh, Cherumuttathu H; Kumar, Anmol; Gadre, Shridhar R

2013-11-14

An electrostatics-based approach has been proposed for probing the weak interactions between lone pair containing molecules and π deficient molecular systems. For electron-rich molecules, the negative minima in molecular electrostatic potential (MESP) topography give the location of electron localization and the MESP value at the minimum (Vmin) quantifies the electron-rich character of that region. Interactive behavior of a lone pair bearing molecule with electron deficient π-systems, such as hexafluorobenzene, 1,3,5-trinitrobenzene, 2,4,6-trifluoro-1,3,5-triazine and 1,2,4,5-tetracyanobenzene explored within DFT brings out good correlation of the lone pair-π interaction energy (E(int)) with the Vmin value of the electron-rich system. Such interaction is found to be portrayed well with the Electrostatic Potential for Intermolecular Complexation (EPIC) model. On the basis of the precise location of MESP minimum, a prediction for the orientation of a lone pair bearing molecule with an electron deficient π-system is possible in the majority of the cases studied.
Analytical potential-density pairs for bars

NASA Astrophysics Data System (ADS)

Vogt, D.; Letelier, P. S.

2010-11-01

An identity that relates multipolar solutions of the Einstein equations to Newtonian potentials of bars with linear densities proportional to Legendre polynomials is used to construct analytical potential-density pairs of infinitesimally thin bars with a given linear density profile. By means of a suitable transformation, softened bars that are free of singularities are also obtained. As an application we study the equilibrium points and stability for the motion of test particles in the gravitational field for three models of rotating bars.
Effectiveness of an educational group intervention in primary healthcare for continued exclusive breast-feeding: PROLACT study.

PubMed

Martín-Iglesias, Susana; Santamaría-Martín, M Jesús; Alonso-Álvarez, Ahinoa; Rico-Blázquez, Milagros; Del Cura-González, Isabel; Rodríguez-Barrientosn, Ricardo; Barberá-Martín, Aurora; Sanz-Cuesta, Teresa; Isabel Coghen-Vigueras, M; de Antonio-Ramírez, Isabel; Durand-Rincón, Isabel; Garrido-Rodriguez, Felisa; Geijo-Rincón, María Jesús; Mielgo-Salvador, Rebeca; Morales-Montalvá, M Soledad; Reviriego-Gutiérrez, M Asunción; Rivero-Garrido, Carmen; Ruiz-Calabria, Micaela; Santamaría-Mechano, M Pilar; Santiago-Fernández, Roberto; Sillero-Quintana, M Isabel; Soto-Almendro, Beatriz; Terol-Claramonte, María; Villa-Arranz, María

2018-02-26

The World Health Organization leads a global strategy to promote the initiation and maintenance of breast-feeding. Existing literature shows that education and supportive interventions, both for breast-feeding mothers as well as for healthcare professionals, can increase the proportion of women that use exclusive breast-feeding, however, more evidence is needed on the effectiveness of group interventions. This study involves a community-based cluster randomised trial conducted at Primary Healthcare Centres in the Community of Madrid (Spain). The project aims to evaluate the effectiveness of an educational group intervention performed by primary healthcare professionals in increasing the proportion of mother-infant pairs using exclusive breastfeeding at six months compared to routine practice. The number of patients required will be 432 (216 in each arm). All mother-infant pairs using exclusive breastfeeding that seek care or information at healthcare centres will be included, as long as the infant is not older than four weeks, and the mother has used exclusive breastfeeding in the last 24 h and who gives consent to participate. The main response variable is mother-infant pairs using exclusive breast-feeding at six months. Main effectiveness will be analysed by comparing the proportion of mother-infant pairs using exclusive breast-feeding at six months between the intervention group and the control group. All statistical tests will be performed with intention-to-treat. The estimation will be adjusted using an explanatory logistic regression model. A survival analysis will be used to compare the two groups using the log-rank test to assess the effect of the intervention on the duration of breastfeeding. The control of potential confounding variables will be performed through the construction of Cox regression models. We must implement strategies with scientific evidence to improve the percentage of exclusive breast-feeding at six months in our environment as established by the WHO. Group education is an instrument used by professionals in Primary Care that favours the acquisition of skills and modification of already-acquired behaviour, all making it a potential method of choice to improve rates of exclusive breast-feeding in this period. The trial was registered with ClinicalTrials.gov under code number NCT01869920 (Date of registration: June 3, 2013).
Heterosexual Transmission of Subtype C HIV-1 Selects Consensus-Like Variants without Increased Replicative Capacity or Interferon-α Resistance

PubMed Central

Fenton-May, Angharad E.; Dilernia, Dario A.; Kilembe, William; Allen, Susan A.; Borrow, Persephone; Hunter, Eric

2015-01-01

Heterosexual transmission of HIV-1 is characterized by a genetic bottleneck that selects a single viral variant, the transmitted/founder (TF), during most transmission events. To assess viral characteristics influencing HIV-1 transmission, we sequenced 167 near full-length viral genomes and generated 40 infectious molecular clones (IMC) including TF variants and multiple non-transmitted (NT) HIV-1 subtype C variants from six linked heterosexual transmission pairs near the time of transmission. Consensus-like genomes sensitive to donor antibodies were selected for during transmission in these six transmission pairs. However, TF variants did not demonstrate increased viral fitness in terms of particle infectivity or viral replicative capacity in activated peripheral blood mononuclear cells (PBMC) and monocyte-derived dendritic cells (MDDC). In addition, resistance of the TF variant to the antiviral effects of interferon-α (IFN-α) was not significantly different from that of non-transmitted variants from the same transmission pair. Thus neither in vitro viral replicative capacity nor IFN-α resistance discriminated the transmission potential of viruses in the quasispecies of these chronically infected individuals. However, our findings support the hypothesis that within-host evolution of HIV-1 in response to adaptive immune responses reduces viral transmission potential. PMID:26378795
Final state interactions at the threshold of Higgs boson pair production

NASA Astrophysics Data System (ADS)

Zhang, Zhentao

2015-11-01

We study the effect of final state interactions at the threshold of Higgs boson pair production in the Glashow-Weinberg-Salam model. We consider three major processes of the pair production in the model: lepton pair annihilation, ZZ fusion, and WW fusion. We find that the corrections caused by the effect for these processes are markedly different. According to our results, the effect can cause non-negligible corrections to the cross sections for lepton pair annihilation and small corrections for ZZ fusion, and this effect is negligible for WW fusion.
Reproductive success of rose-ringed parakeets Psittacula krameri in a captive UK population.

PubMed

Lambert, Mark S; Massei, Giovanna; Bell, Jennifer; Berry, Leslie; Haigh, Carol; Cowan, David P

2009-11-01

Rose-ringed parakeets Psittacula krameri (Scop.) have recently become established in several European countries, with potential for significant negative economic and ecological impacts. However, in northern Europe the potential for reproductive output is largely unknown. In 2005 the authors established a captive outdoor colony in north-east England and examined breeding success over 2 years. In 2006 (19 pairs, 15 clutches) the average first clutch size was 3.6 (+/-0.3) eggs. Six clutches were infertile, and overall the colony produced 1.4 (+/-0.5) fertile eggs per pair. Eleven pairs produced a second clutch following removal of the first; seven were infertile, and overall productivity was 0.7 (+/-0.4) fertile eggs per pair. Unsuccessful pairs were rearranged or replaced. In 2007, overall productivity was 2.5 (+/-0.4) and 1.8 (+/-0.4) fertile eggs per pair for the first and second attempts respectively. For pairs that remained unchanged through 2006-2007, productivity was consistent between years and breeding attempts. Where food and nest sites were not limiting, clutch sizes in north-east England were similar to those in the native range, and consistent between first and second attempts. This has implications for the future expansion and management of the species. (c) Crown Copyright 2009. Reproduced with permission of Her Majesty's Stationery Office.
Mismatch and G-Stack Modulated Probe Signals on SNP Microarrays

PubMed Central

Binder, Hans; Fasold, Mario; Glomb, Torsten

2009-01-01

Background Single nucleotide polymorphism (SNP) arrays are important tools widely used for genotyping and copy number estimation. This technology utilizes the specific affinity of fragmented DNA for binding to surface-attached oligonucleotide DNA probes. We analyze the variability of the probe signals of Affymetrix GeneChip SNP arrays as a function of the probe sequence to identify relevant sequence motifs which potentially cause systematic biases of genotyping and copy number estimates. Methodology/Principal Findings The probe design of GeneChip SNP arrays enables us to disentangle different sources of intensity modulations such as the number of mismatches per duplex, matched and mismatched base pairings including nearest and next-nearest neighbors and their position along the probe sequence. The effect of probe sequence was estimated in terms of triple-motifs with central matches and mismatches which include all 256 combinations of possible base pairings. The probe/target interactions on the chip can be decomposed into nearest neighbor contributions which correlate well with free energy terms of DNA/DNA-interactions in solution. The effect of mismatches is about twice as large as that of canonical pairings. Runs of guanines (G) and the particular type of mismatched pairings formed in cross-allelic probe/target duplexes constitute sources of systematic biases of the probe signals with consequences for genotyping and copy number estimates. The poly-G effect seems to be related to the crowded arrangement of probes which facilitates complex formation of neighboring probes with at minimum three adjacent G's in their sequence. Conclusions The applied method of “triple-averaging” represents a model-free approach to estimate the mean intensity contributions of different sequence motifs which can be applied in calibration algorithms to correct signal values for sequence effects. Rules for appropriate sequence corrections are suggested. PMID:19924253
1,8-Naphthyridine-2,7-diamine: a potential universal reader of Watson-Crick base pairs for DNA sequencing by electron tunneling.

PubMed

Liang, Feng; Lindsay, Stuart; Zhang, Peiming

2012-11-21

With the aid of Density Functional Theory (DFT), we designed 1,8-naphthyridine-2,7-diamine as a recognition molecule to read DNA base pairs for genomic sequencing by electron tunneling. NMR studies show that it can form stable triplets with both A : T and G : C base pairs through hydrogen bonding. Our results suggest that the naphthyridine molecule should be able to function as a universal base pair reader in a tunneling gap, generating distinguishable signatures under electrical bias for each of DNA base pairs.
1,8-Naphthyridine-2,7-diamine: A Potential Universal Reader of the Watson-Crick Base Pairs for DNA Sequencing by Electron Tunneling

PubMed Central

Liang, Feng; Lindsay, Stuart; Zhang, Peiming

2013-01-01

With the aid of Density Functional Theory (DFT), we designed 1,8-naphthyridine-2,7-diamine as a recognition molecule to read the DNA base pairs for genomic sequencing by electron tunneling. NMR studies show that it can form stable triplets with both A:T and G:C base pairs through hydrogen bonding. Our results suggest that the naphthyridine molecule should be able to function as a universal base pair reader in a tunneling gap, generating distinguishable signatures under electrical bias for each of DNA base pairs. PMID:23038027
The effects of paired associative stimulation on knee extensor motor excitability of individuals post-stroke: A pilot study

PubMed Central

Rogers, Lynn M.; Brown, David A.; Stinear, James W.

2012-01-01

Objective Paired associative stimulation (PAS) modulates bilateral distal lower limb motor pathways during walking. We assessed the effects of inhibitory PAS applied to the vastus medialis (VM) motor pathways of chronic stroke patients. Methods PAS consisted of 120 electrical stimuli applied to the femoral nerve paired with transcranial magnetic stimulation (TMS) of the lower limb primary motor cortex so that the estimated arrival of the afferent volley occurred 8 ms after delivery of the magnetic stimulus. Stimulus pairs were delivered to the non-paretic VM motor system of 11 chronic stroke patients and the right limb motor system of 11 non-impaired subjects at 0.19 Hz. The effects of PAS on VM motor pathway excitability and muscle activity were assessed during pedaling. TMS-induced motor evoked potential (MEP) amplitudes and the percent of VM activity in the flexion phase of active pedaling (%FLEXVM) was examined before and after PAS. Results Inhibitory PAS reduced VM MEP amplitudes in the target limb (p < 0.05) of both groups, while post-PAS paretic VM MEP amplitudes increased for some patients and decreased for others. Group mean paretic limb %FLEXVM was not altered by inhibitory PAS. Conclusions These results indicate PAS can be used to manipulate motor cortical excitability in proximal lower limb representations, however the sign of induced modulation was unpredictable and cyclic muscle activity was not modified. Significance The study has important implications for the development of therapies involving non-invasive brain stimulation to modify abnormal motor behavior following stroke. PMID:21130032
The effects of paired associative stimulation on knee extensor motor excitability of individuals post-stroke: a pilot study.

PubMed

Rogers, Lynn M; Brown, David A; Stinear, James W

2011-06-01

Paired associative stimulation (PAS) modulates bilateral distal lower limb motor pathways during walking. We assessed the effects of inhibitory PAS applied to the vastus medialis (VM) motor pathways of chronic stroke patients. PAS consisted of 120 electrical stimuli applied to the femoral nerve paired with transcranial magnetic stimulation (TMS) of the lower limb primary motor cortex so that the estimated arrival of the afferent volley occurred 8 ms after delivery of the magnetic stimulus. Stimulus pairs were delivered to the non-paretic VM motor system of 11 chronic stroke patients and the right limb motor system of 11 non-impaired subjects at 0.19 Hz. The effects of PAS on VM motor pathway excitability and muscle activity were assessed during pedaling. TMS-induced motor evoked potential (MEP) amplitudes and the percent of VM activity in the flexion phase of active pedaling (% FLEXVM) was examined before and after PAS. Inhibitory PAS reduced VM MEP amplitudes in the target limb (p<0.05) of both groups, while post-PAS paretic VM MEP amplitudes increased for some patients and decreased for others. Group mean paretic limb % FLEXVM was not altered by inhibitory PAS. These results indicate PAS can be used to manipulate motor cortical excitability in proximal lower limb representations, however the sign of induced modulation was unpredictable and cyclic muscle activity was not modified. The study has important implications for the development of therapies involving non-invasive brain stimulation to modify abnormal motor behavior following stroke. Copyright © 2010 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.
Recognition of Watson-Crick base pairs: constraints and limits due to geometric selection and tautomerism

PubMed Central

Yusupov, Marat; Yusupova, Gulnara

2014-01-01

The natural bases of nucleic acids have a strong preference for one tautomer form, guaranteeing fidelity in their hydrogen bonding potential. However, base pairs observed in recent crystal structures of polymerases and ribosomes are best explained by an alternative base tautomer, leading to the formation of base pairs with Watson-Crick-like geometries. These observations set limits to geometric selection in molecular recognition of complementary Watson-Crick pairs for fidelity in replication and translation processes. PMID:24765524
Lessons learned for applying a paired-catchment approach in drought analysis

NASA Astrophysics Data System (ADS)

Van Loon, Anne; Rangecroft, Sally; Coxon, Gemma; Agustín Breña Naranjo, José; Van Ogtrop, Floris; Croghan, Danny; Van Lanen, Henny

2017-04-01

Ongoing research is looking to quantify the human impact on hydrological drought using observed data. One potentially suitable method is the paired-catchment approach. Paired catchments have been successfully used for quantifying the impact of human actions (e.g. forest treatment and wildfires) on various components of a catchment's water balance. However, it is unclear whether this method could successfully be applied to drought. In this study, we used a paired-catchment approach to quantify the effects of reservoirs, groundwater abstraction and urbanisation on hydrological drought in the UK, Mexico, and Australia. Following recommendations in literature, we undertook a thorough catchment selection and identified catchments of similar size, climate, geology, and topography. One catchment of the pair was affected by either reservoirs, groundwater abstraction or urbanisation. For the selected catchment pairs, we standardised streamflow time series to catchment area, calculated a drought threshold from the natural catchment and applied it to the human-influenced catchment. The underlying assumption being that the differences in drought severity between catchments can then be attributed to the anthropogenic activity. In some catchments we had local knowledge about human influences, and therefore we could compare our paired-catchment results with hydrological model scenarios. However, we experienced that detailed data on human influences usually are not well recorded. The results showed us that it is important to account for variation in average annual precipitation between the paired catchments to be able to transfer the drought threshold of the natural catchment to the human-influenced catchment. This can be achieved by scaling the discharge by the difference in annual average precipitation. We also found that the temporal distribution of precipitation is important, because if meteorological droughts differ between the paired catchments, this may mask changes caused by human activities. This issue can generally be overcome by selecting adjacent or nearby catchments. Finally, we found that geology is much more important for paired-catchment analysis of drought than we anticipated based upon the experiences in flood research. For example, in two of the UK pairs, we could not use the results due to differences in geology overruling the human influence. We learned that in the selection of catchments for drought analysis, (hydro)geology should be considered in even more detail. Taking these aspects into account, we concluded that the paired-catchment approach works for evaluating the effects of reservoirs and groundwater abstraction on streamflow drought, but is more challenging for urbanisation. The reasons are more problems in catchment selection, lack of results, and complexity of processes making attribution more difficult. Urbanisation is not a simple land cover change influencing only infiltration and runoff, but it involves all kinds of indirect effects, such as artificial inputs (drainage, sewage return flows) that are very important during low flow periods. For this we would suggest starting in small, well-measured urban catchments, of which all artificial inputs are known. We believe that with the careful selection criteria and accounting for variations in climate and landscape, there is scope for using a paired-catchment approach in hydrological drought research.
On the contribution of intramolecular zero point energy to the equation of state of solid H2

NASA Technical Reports Server (NTRS)

Chandrasekharan, V.; Etters, R. D.

1978-01-01

Experimental evidence shows that the internal zero-point energy of the H2 molecule exhibits a relatively strong pressure dependence in the solid as well as changing considerably upon condensation. It is shown that these effects contribute about 6% to the total sublimation energy and to the pressure in the solid state. Methods to modify the ab initio isolated pair potential to account for these environmental effects are discussed.
Local free energies for the coarse-graining of adsorption phenomena: The interacting pair approximation

NASA Astrophysics Data System (ADS)

Pazzona, Federico G.; Pireddu, Giovanni; Gabrieli, Andrea; Pintus, Alberto M.; Demontis, Pierfranco

2018-05-01

We investigate the coarse-graining of host-guest systems under the perspective of the local distribution of pore occupancies, along with the physical meaning and actual computability of the coarse-interaction terms. We show that the widely accepted approach, in which the contributions to the free energy given by the molecules located in two neighboring pores are estimated through Monte Carlo simulations where the two pores are kept separated from the rest of the system, leads to inaccurate results at high sorbate densities. In the coarse-graining strategy that we propose, which is based on the Bethe-Peierls approximation, density-independent interaction terms are instead computed according to local effective potentials that take into account the correlations between the pore pair and its surroundings by means of mean-field correction terms without the need for simulating the pore pair separately. Use of the interaction parameters obtained this way allows the coarse-grained system to reproduce more closely the equilibrium properties of the original one. Results are shown for lattice-gases where the local free energy can be computed exactly and for a system of Lennard-Jones particles under the effect of a static confining field.

Investigation of the reduction process of dopamine using paired pulse voltammetry

PubMed Central

Kim, Do Hyoung; Oh, Yoonbae; Shin, Hojin; Blaha, Charles D.; Bennet, Kevin E.; Lee, Kendall H.; Kim, In Young; Jang, Dong Pyo

2014-01-01

The oxidation of dopamine (DA) around +0.6V potential in anodic sweep and its reduction around −0.1V in cathodic sweep at a relatively fast scanning rate (300 V/s or greater) have been used for identification of DA oxidation in fast-scan cyclic voltammetry (FSCV). However, compared to the oxidation peak of DA, the reduction peak has not been fully examined in analytical studies, although it has been used as one of the representative features to identify DA. In this study, the reduction process of DA was investigated using paired pulse voltammetry (PPV), which consists of two identical triangle-shaped waveforms, separated by a short interval at the holding potential. Especially, the discrepancies between the magnitude of the oxidation and reduction peaks of DA were investigated based on three factors: (1) the instant desorption of the DA oxidation product (dopamine-o-quinone: DOQ) after production, (2) the effect of the holding potential on the reduction process, and (3) the rate-limited reduction process of DA. For the first test, the triangle waveform FSCV experiment was performed on DA with various scanrates (from 400 to 1000 V/s) and durations of switching potentials of the triangle waveform (from 0.0 to 6.0 ms) in order to vary the duration between the applied oxidation potential at +0.6V and the reduction potential at −0.2V. As a result, the ratio of reduction over oxidation peak current response decreased as the duration became longer. To evaluate the effect of holding potentials during the reduction process, FSCV experiments were conducted with holding potential from 0.0V to −0.8V. We found that more negative holding potentials lead to larger amount of reduction process. For evaluation of the rate-limited reduction process of DA, PPV with a 1Hz repetition rate and various delays (2, 8, 20, 40 and 80ms) between the paired scans were utilized to determine how much reduction process occurred during the holding potential (−0.4V). These tests showed that relatively large amounts of DOQ are reduced to DA during the holding potential. The rate-limited reduction process was also confirmed with the increase of reduction in a lower pH environment. In addition to the mechanism of the reduction process of DA, we found that the differences between the responses of primary and secondary pulses in PPV were mainly dependent on the rate-limited reduction process during the holding potential. In conclusion, the reduction process may be one of the important factors to be considered in the kinetic analysis of DA and other electroactive species in brain tissue and in the design of new types of waveform in FSCV. PMID:24926227
Semantic parafoveal-on-foveal effects and preview benefits in reading: Evidence from Fixation Related Potentials.

PubMed

López-Peréz, P J; Dampuré, J; Hernández-Cabrera, J A; Barber, H A

2016-11-01

During reading parafoveal information can affect the processing of the word currently fixated (parafovea-on-fovea effect) and words perceived parafoveally can facilitate their subsequent processing when they are fixated on (preview effect). We investigated parafoveal processing by simultaneously recording eye movements and EEG measures. Participants read word pairs that could be semantically associated or not. Additionally, the boundary paradigm allowed us to carry out the same manipulation on parafoveal previews that were displayed until reader's gaze moved to the target words. Event Related Potentials time-locked to the prime-preview presentation showed a parafoveal-on-foveal N400 effect. Fixation Related Potentials time locked to the saccade offset showed an N400 effect related to the prime-target relationship. Furthermore, this later effect interacted with the semantic manipulation of the previews, supporting a semantic preview benefit. These results demonstrate that at least under optimal conditions foveal and parafoveal information can be simultaneously processed and integrated. Copyright © 2016 Elsevier Inc. All rights reserved.
Widespread Transient Hoogsteen Base-Pairs in Canonical Duplex DNA with Variable Energetics

PubMed Central

Alvey, Heidi S.; Gottardo, Federico L.; Nikolova, Evgenia N.; Al-Hashimi, Hashim M.

2015-01-01

Hoogsteen base-pairing involves a 180 degree rotation of the purine base relative to Watson-Crick base-pairing within DNA duplexes, creating alternative DNA conformations that can play roles in recognition, damage induction, and replication. Here, using Nuclear Magnetic Resonance R1ρ relaxation dispersion, we show that transient Hoogsteen base-pairs occur across more diverse sequence and positional contexts than previously anticipated. We observe sequence-specific variations in Hoogsteen base-pair energetic stabilities that are comparable to variations in Watson-Crick base-pair stability, with Hoogsteen base-pairs being more abundant for energetically less favorable Watson-Crick base-pairs. Our results suggest that the variations in Hoogsteen stabilities and rates of formation are dominated by variations in Watson-Crick base pair stability, suggesting a late transition state for the Watson-Crick to Hoogsteen conformational switch. The occurrence of sequence and position-dependent Hoogsteen base-pairs provide a new potential mechanism for achieving sequence-dependent DNA transactions. PMID:25185517
The Utility of Case-Control Methods for Health Policy and Planning Analysis: An Illustration from Kinshasa, Zaire.

ERIC Educational Resources Information Center

Mock, Nancy B.; And Others

1993-01-01

The use of case-control methodology as an applied policy/planning research tool in assessing the potential effectiveness of behavioral interventions is studied in connection with diarrhea control in Zaire. Results with 107 matched pairs of children demonstrate the importance of hygiene-related knowledge and the utility of the research approach.…
Pre-Service Teachers' Growth in Understandings of Best Practice Literacy Instruction through Paired Course and Field Experience

ERIC Educational Resources Information Center

Lipp, Jamie; Helfrich, Sarah

2016-01-01

Illiteracy is on the rise in the United States, and the potential negative impact on today's struggling reader is devastating. Now more than ever, preparing pre-service teachers to be effective teachers of literacy is crucial. This study examined the growth in understandings of best practice literacy of eleven pre-service teachers through paired…
The equation of state of Song and Mason applied to fluorine

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

Eslami, H.; Boushehri, A.

1999-03-01

An analytical equation of state is applied to calculate the compressed and saturation thermodynamic properties of fluorine. The equation of state is that of Song and Mason. It is based on a statistical mechanical perturbation theory of hard convex bodies and is a fifth-order polynomial in the density. There exist three temperature-dependent parameters: the second virial coefficient, an effective molecular volume, and a scaling factor for the average contact pair distribution function of hard convex bodies. The temperature-dependent parameters can be calculated if the intermolecular pair potential is known. However, the equation is usable with much less input than themore » full intermolecular potential, since the scaling factor and effective volume are nearly universal functions when expressed in suitable reduced units. The equation of state has been applied to calculate thermodynamic parameters including the critical constants, the vapor pressure curve, the compressibility factor, the fugacity coefficient, the enthalpy, the entropy, the heat capacity at constant pressure, the ratio of heat capacities, the Joule-Thomson coefficient, the Joule-Thomson inversion curve, and the speed of sound for fluorine. The agreement with experiment is good.« less
Altruistic unbalanced paired kidney exchange at Columbia University/New York-Presbyterian hospital: rationale and practical considerations.

PubMed

Ratner, Lloyd E; Ratner, Emily R; Kelly, Joan; Carrol, Maureen; Cherwinski, Karyn; Ernst, Victoria; Rana, Abbas

2008-01-01

Paired kidney exchanges are being used with increasing frequency to overcome humoral immunologic incompatibilities between patients in need of renal transplantation and their potential live donors. Altruistic unbalanced exchanges utilize compatible donor/recipient pairs in order to facilitate the transplantation of a patient with an incompatible donor. We have now performed several altruistic unbalanced paired kidney exchanges at our institution. Also, we have surveyed potential donors and recipients regarding their attitudes toward participating in altruistic unbalanced paired kidney exchanges. Patients are most amenable to participation if they perceive a benefit from trading away a compatible donor. Given the number of compatible live donor transplants performed annually, if practiced on a broad scale, altruistic unbalancedpaired kidney exchanges can have a profound impact upon the supply of kidneys for transplantation. These exchanges can be performed at individual centers without the requirement for largesharing pools or complex computer algorithms. However, there are a number of ethical and logistical considerations that must be addressed. Altruistic unbalanced paired kidney exchanges represent a major paradigm shift in renal transplantation, in that a private resource (i.e. the live kidney donor) is converted to a shared or public one.
Inbreeding avoidance in cunningham's skinks (Egernia cunninghami) in natural and fragmented habitat.

PubMed

Stow, A J; Sunnucks, P

2004-02-01

Habitat fragmentation/alteration has been proposed as a distinct process threatening the viability of populations of many organisms. One expression of its impact may be the disruption of core population processes such as inbreeding avoidance. Using the experimental design outlined in our companion paper, we report on the impact of habitat alteration (deforestation) on inbreeding in the rock-dwelling Australian lizard Egernia cunninghami. Ten microsatellite loci were used to calculate relatedness coefficients of potential and actual breeding pairs, and to examine mate-choice and heterozygosity. Despite significantly less dispersal and higher within-group relatedness between potential mates in deforested than in natural habitats, this did not result in significantly more inbred matings. Average relatedness amongst breeding pairs was low, with no significant difference between natural and fragmented populations in relatedness between breeding pairs, or individual heterozygosity. Active avoidance of close kin as mates was indicated by the substantially and significantly lower relatedness in actual breeding pairs than potential ones. These facts, and heterozygote excesses in all groups of immature lizards from both habitats, show that E. cunninghami maintained outbreeding in the face of increased accumulation of relatives.
The influence of cell interactions and tissue mass on differentiation of sea urchin mesomeres.

PubMed

Khaner, O; Wilt, F

1990-07-01

The developmental potential of different blastomeres of the sea urchin embryo was re-examined. We have employed a new method to isolate substantial numbers of different kinds of blastomeres from 16-cell-stage embryos, and we have used newly available molecular markers to analyze possible vegetal differentiation. We have found that, while isolated mesomere pairs behave according to the classical expectations and develop into ectodermal vesicles, there is a clear effect of reaggregating two or more mesomere pairs. They survive better in long-term culture and, after prolonged periods, they display an astonishing ability to express vegetal differentiation. We also combined mesomeres with stained micromeres or macromeres from the vegetal hemisphere. Although induction of guts and spicules was observed, there was little if any effect of varying the ratio of different blastomeres on the kinds of differentiation obtained.
Fear expression and return of fear following threat instruction with or without direct contingency experience.

PubMed

Mertens, Gaëtan; Kuhn, Manuel; Raes, An K; Kalisch, Raffael; De Houwer, Jan; Lonsdorf, Tina B

2016-08-01

Prior research showed that mere instructions about the contingency between a conditioned stimulus (CS) and an unconditioned stimulus (US) can generate fear reactions to the CS. Little is known, however, about the extent to which actual CS-US contingency experience adds anything beyond the effect of contingency instructions. Our results extend previous studies on this topic in that it included fear potentiated startle as an additional dependent variable and examined return of fear (ROF) following reinstatement. We observed that CS-US pairings can enhance fear reactions beyond the effect of contingency instructions. Moreover, for all measures of fear, instructions elicited immediate fear reactions that could not be completely overridden by subsequent situational safety information. Finally, ROF following reinstatement for instructed CS+s was unaffected by actual experience. In summary, our results demonstrate the power of contingency instructions and reveal the additional impact of actual experience of CS-US pairings.
Pair Potential That Reproduces the Shape of Isochrones in Molecular Liquids.

PubMed

Veldhorst, Arno A; Schrøder, Thomas B; Dyre, Jeppe C

2016-08-18

Many liquids have curves (isomorphs) in their phase diagrams along which structure, dynamics, and some thermodynamic quantities are invariant in reduced units. A substantial part of their phase diagrams is thus effectively one dimensional. The shapes of these isomorphs are described by a material-dependent function of density, h(ρ), which for real liquids is well approximated by a power law, ρ(γ). However, in simulations, a power law is not adequate when density changes are large; typical models, such as Lennard-Jones liquids, show that γ(ρ) ≡ d ln h(ρ)/d ln ρ is a decreasing function of density. This article presents results from computer simulations using a new pair potential that diverges at a nonzero distance and can be tuned to give a more realistic shape of γ(ρ). Our results indicate that the finite size of molecules is an important factor to take into account when modeling liquids over a large density range.
Catalytic Dehydrogenative Coupling of Hydrosilanes with Alcohols for the Production of Hydrogen On-demand: Application of a Silane/Alcohol Pair as a Liquid Organic Hydrogen Carrier.

PubMed

Ventura-Espinosa, David; Carretero-Cerdán, Alba; Baya, Miguel; García, Hermenegildo; Mata, Jose A

2017-08-10

The compound [Ru(p-cym)(Cl) 2 (NHC)] is an effective catalyst for the room-temperature coupling of silanes and alcohols with the concomitant formation of molecular hydrogen. High catalyst activity is observed for a variety of substrates affording quantitative yields in minutes at room temperature and with a catalyst loading as low as 0.1 mol %. The coupling reaction is thermodynamically and, in the presence of a Ru complex, kinetically favourable and allows rapid molecular hydrogen generation on-demand at room temperature, under air, and without any additive. The pair silane/alcohol is a potential liquid organic hydrogen carrier (LOHC) for energy storage over long periods in a safe and secure way. Silanes and alcohols are non-toxic compounds and do not require special handling precautions such as high pressure or an inert atmosphere. These properties enhance the practical applications of the pair silane/alcohol as a good LOHC in the automotive industry. The variety and availability of silanes and alcohols permits a pair combination that fulfils the requirements for developing an efficient LOHC. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
The Effects of Reinforcer Pairing and Fading on Preschoolers' Snack Selections

PubMed Central

Solberg, Katherine M; Hanley, Gregory P; Layer, Stacy A; Ingvarsson, Einar T

2007-01-01

The effects of reinforcement pairing and fading on preschoolers' snack selections were evaluated in a multiple baseline design. Baseline preferences for snack options were assessed via repeated paired-item preference assessments. Edible, social, and activity-based reinforcers were then exclusively paired with a less preferred snack option. Once the snack paired with reinforcement was selected most frequently, the three types of reinforcement were systematically faded. Frequent selections of the previously less preferred snack option were produced with paired reinforcement, but were disrupted for all children as the paired reinforcement was reduced to low levels. These data showed that paired reinforcement was initially effective in increasing preference for the originally less preferred snack options, but more permanent changes in the value of the snack options were not achieved. Conditions for producing persistent changes in children's snack choices are discussed. PMID:18189095
Modulating Cellular Recombination Potential through Alterations in RecA Structure and Regulation

PubMed Central

Bakhlanova, Irina V.; Dudkina, Alexandra V.; Baitin, Dima M.; Knight, Kendall L.; Cox, Michael M.; Lanzov, Vladislav A.

2010-01-01

The wild type E. coli RecA protein is a recombinase platform with unrealized recombination potential. We have explored the factors affecting recombination during conjugation with a quantitative assay. Regulatory proteins that affect RecA function have the capacity to increase or decrease recombination frequencies by factors up to 6 fold. Autoinhibition by the RecA C-terminus can affect recombination frequency by factors up to 4 fold. The greatest changes in recombination frequency measured here are brought about by point mutations in the recA gene. RecA variants can increase recombination frequencies by more than 50 fold. The RecA protein thus possesses an inherently broad functional range. The RecA protein of Escherichia coli (EcRecA) is not optimized for recombination function. Instead, much of the recombination potential of EcRecA is structurally suppressed, probably reflecting cellular requirements. One point mutation in EcRecA with a particularly dramatic effect on recombination frequency, D112R, exhibits an enhanced capacity to load onto SSB-coated ssDNA, overcome the effects of regulatory proteins such as PsiB and RecX, and to pair homologous DNAs. Comparisons of key RecA protein mutants reveal two components to RecA recombination function – filament formation and the inherent DNA pairing activity of the formed filaments. PMID:21143322
Controlled thermoelectric response of a tunable Rashba coupled metal-insulator-superconductor junction

NASA Astrophysics Data System (ADS)

Kapri, Priyadarshini; Adhikary, Priyanka; Sinha, Shubham; Basu, Saurabh

2018-05-01

Thermoelectric effect for metal, insulator and the superconductor junctions has been studied with Rashba spin-orbit coupling (RSOC) being present at the interfaces via modified Blonder-Tinkham-Klapwijk (BTK) theory. We find that the thermopower, as a function of an effective barrier potential that characterizes the intermediate insulating layer, displays an oscillatory behavior. Interesting interplay between the strength of RSOC and the effective barrier potential has been carried out in details in this regard. For specific ranges of the effective barrier potential, RSOC enhances the thermopower, while the reverse happens for other values. Moreover it is found that the effective barrier potential plays a crucial role in determining the thermopower spectrum. For a tunable Rashba coupling, the thermopower of the junction can be controlled with precision, which may useful for the thermoelectric applications, at low temperatures. Further the efficiency of the system is obtained for different pairing correlations of the superconducting lead where we find that the system with a d-wave symmetry is more efficient as compared to a s-wave correlation, in some selective regions of effective barrier potential. It is found that for some selective regions of effective barrier potential, the efficiency of the system increases with RSOC and the opposite happens for other values.
Pionic retardation effects in two-pion-exchange three-nucleon forces

NASA Astrophysics Data System (ADS)

Coon, S. A.; Friar, J. L.

1986-09-01

Those two-pion-exchange three-nucleon forces which arise from nuclear processes that involve only pions and nucleons are calculated. Among the processes which contribute are pion seagulls (e.g., nucleon-antinucleon pair terms) and overlapping, retarded pion exchanges. The resulting potential is shown to be a (v/c)2 relativistic correction, and satisfies nontrivial constraints from special relativity. The relativistic ambiguities found before in treatments of relativistic corrections to the one-pion-exchange nuclear charge operator and two-body potential are also present in the three-nucleon potential. The resulting three-nucleon force differs from the original Tucson-Melbourne potential only in the presence of several new nonlocal terms, and in the specification of the choice of ambiguity parameters in the latter potential.
Superfluid Density of Neutrons in the Inner Crust of Neutron Stars: New Life for Pulsar Glitch Models

NASA Astrophysics Data System (ADS)

Watanabe, Gentaro; Pethick, C. J.

2017-08-01

Calculations of the effects of band structure on the neutron superfluid density in the crust of neutron stars made under the assumption that the effects of pairing are small [N. Chamel, Phys. Rev. C 85, 035801 (2012)] lead to moments of inertia of superfluid neutrons so small that the crust alone is insufficient to account for the magnitude of neutron star glitches. Inspired by earlier work on ultracold atomic gases in an optical lattice, we investigate fermions with attractive interactions in a periodic lattice in the mean-field approximation. The effects of band structure are suppressed when the pairing gap is of order or greater than the strength of the lattice potential. By applying the results to the inner crust of neutron stars, we conclude that the reduction of the neutron superfluid density is considerably less than previously estimated and, consequently, it is premature to rule out models of glitches based on neutron superfluidity in the crust.
Superfluid Density of Neutrons in the Inner Crust of Neutron Stars: New Life for Pulsar Glitch Models.

PubMed

Watanabe, Gentaro; Pethick, C J

2017-08-11

Calculations of the effects of band structure on the neutron superfluid density in the crust of neutron stars made under the assumption that the effects of pairing are small [N. Chamel, Phys. Rev. C 85, 035801 (2012)PRVCAN0556-2813] lead to moments of inertia of superfluid neutrons so small that the crust alone is insufficient to account for the magnitude of neutron star glitches. Inspired by earlier work on ultracold atomic gases in an optical lattice, we investigate fermions with attractive interactions in a periodic lattice in the mean-field approximation. The effects of band structure are suppressed when the pairing gap is of order or greater than the strength of the lattice potential. By applying the results to the inner crust of neutron stars, we conclude that the reduction of the neutron superfluid density is considerably less than previously estimated and, consequently, it is premature to rule out models of glitches based on neutron superfluidity in the crust.
Multiple ways to the prior occurrence of an event: an electrophysiological dissociation of experimental and conceptually driven familiarity in recognition memory.

PubMed

Wiegand, Iris; Bader, Regine; Mecklinger, Axel

2010-11-11

Recent research has shown that familiarity contributes to associative memory when the to-be-associated stimuli are unitized during encoding. However, the specific processes underlying familiarity-based recognition of unitized representations are still indefinite. In this study, we present electrophysiologically dissociable early old/new effects, presumably related to two different kinds of familiarity inherent in associative recognition tasks. In a study-test associative recognition memory paradigm, we employed encoding conditions that established unitized representations of two pre-experimentally unrelated words, e.g. vegetable-bible. We compared event-related potentials (ERP) during the retrieval of these unitized word pairs using different retrieval cues. Word pairs presented in the same order as during unitization at encoding elicited a parietally distributed early old/new effect which we interpret as reflecting conceptually driven familiarity for newly formed concepts. Conversely, word pairs presented in reversed order only elicited a topographically dissociable early effect, i.e. the mid-frontal old/new effect, the putative correlate of experimental familiarity. The late parietal old/new effect, the putative ERP correlate of recollection, was obtained irrespective of word order, though it was larger for words presented in same order. These results indicate that familiarity may not be a unitary process and that different task demands can promote the assessment of conceptually driven familiarity for novel unitized concepts or experimentally-induced increments of experimental familiarity, respectively. Copyright © 2010 Elsevier B.V. All rights reserved.
Nitrate and phosphorus transport through subsurface drains under free and controlled drainage.

PubMed

Saadat, Samaneh; Bowling, Laura; Frankenberger, Jane; Kladivko, Eileen

2018-05-28

Controlled drainage (CD) is a structural conservation practice in which the drainage outlet is managed in order to reduce drain flow volume and nutrient loads to water bodies. The goal of this study was to evaluate the potential of CD to improve water quality for two different seasons and levels of outlet control, using ten years of data collected from an agricultural drained field in eastern Indiana with two sets of paired plots. The Rank Sum test was used to quantify the impact of CD on cumulative annual drain flow and nitrate-N and phosphorus loads. CD plots had a statistically significant (at 5% level) lower annual drain flow (eastern pair: 39%; western pair: 25%) and nitrate load (eastern pair: 43%; western pair: 26%) compared to free draining (FD) plots, while annual soluble reactive phosphorus (SRP) and total phosphorus (TP) loads were not significantly different. An ANCOVA model was used to evaluate the impact of CD on daily drain flow, nitrate-N, SRP and TP concentrations and loads during the two different periods of control. The average percent reduction of daily drain flow was 68% in the eastern pair and 58% in the western pair during controlled drainage at the higher outlet level (winter) and 64% and 58% at the lower outlet level (summer) in the eastern and western pairs, respectively. Nitrate load reduction was similar to drain flow reduction, while the effect of CD on SRP and TP loads was not significant except for the increase in SRP in one pair. These results from a decade-long field monitoring and two different statistical methods enhance our knowledge about water quality impacts of CD system and support this management practice as a reliable system for reducing nitrate loss through subsurface drains, mainly caused by flow reduction. Copyright © 2018 Elsevier Ltd. All rights reserved.

Contaminated and uncontaminated feeding influence perceived intimacy in mixed-sex dyads.

PubMed

Alley, Thomas R

2012-06-01

It was expected that viewers watching adult mixed-sex pairs dining together will give higher ratings of the perceived intimacy and involvement of the pair if feeding is displayed while eating, especially if the feeding involves contaminated (i.e., with potential germ transfer) foods. Our hypotheses were tested using a design in which participants viewed five videotapes in varying order. Each video showed different mixed-sex pairs of actors sharing meal and included a distinct form of food sharing or none. These were shown to 50 small groups of young adults in quasi-random sequences to control for order effects. Immediately after each video, viewers were asked about the attractiveness, attraction and intimacy in the dyad they had just observed. As predicted, videos featuring contaminated feeding consistently produced higher ratings on involvement and attraction than those showing uncontaminated feeding which, in turn, mostly produced higher ratings on involvement and attraction than those showing no feeding behaviors. Copyright © 2012 Elsevier Ltd. All rights reserved.
Fulde-Ferrell-Larkin-Ovchinnikov correlation and free fluids in the one-dimensional attractive Hubbard model

NASA Astrophysics Data System (ADS)

Cheng, Song; Yu, Yi-Cong; Batchelor, M. T.; Guan, Xi-Wen

2018-03-01

In this Rapid Communication, we show that low-energy macroscopic properties of the one-dimensional (1D) attractive Hubbard model exhibit two fluids of bound pairs and of unpaired fermions. Using the thermodynamic Bethe ansatz equations of the model, we first determine the low-temperature phase diagram and analytically calculate the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) pairing correlation function for the partially polarized phase. We then show that for such an FFLO-like state in the low-density regime the effective chemical potentials of bound pairs and unpaired fermions behave like two free fluids. Consequently, the susceptibility, compressibility, and specific heat obey simple additivity rules, indicating the "free" particle nature of interacting fermions on a 1D lattice. In contrast to the continuum Fermi gases, the correlation critical exponents and thermodynamics of the attractive Hubbard model essentially depend on two lattice interacting parameters. Finally, we study scaling functions, the Wilson ratio and susceptibility, which provide universal macroscopic properties and dimensionless constants of interacting fermions at low energy.
Bond rupture between colloidal particles with a depletion interaction

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

Whitaker, Kathryn A.; Furst, Eric M., E-mail: furst@udel.edu

The force required to break the bonds of a depletion gel is measured by dynamically loading pairs of colloidal particles suspended in a solution of a nonadsorbing polymer. Sterically stabilized poly(methyl methacrylate) colloids that are 2.7 μm diameter are brought into contact in a solvent mixture of cyclohexane-cyclohexyl bromide and polystyrene polymer depletant. The particle pairs are subject to a tensile load at a constant loading rate over many approach-retraction cycles. The stochastic nature of the thermal rupture events results in a distribution of bond rupture forces with an average magnitude and variance that increases with increasing depletant concentration. The measuredmore » force distribution is described by the flux of particle pairs sampling the energy barrier of the bond interaction potential based on the Asakura–Oosawa depletion model. A transition state model demonstrates the significance of lubrication hydrodynamic interactions and the effect of the applied loading rate on the rupture force of bonds in a depletion gel.« less
Spin-imbalanced pairing and Fermi surface deformation in flat bands

NASA Astrophysics Data System (ADS)

Huhtinen, Kukka-Emilia; Tylutki, Marek; Kumar, Pramod; Vanhala, Tuomas I.; Peotta, Sebastiano; Törmä, Päivi

2018-06-01

We study the attractive Hubbard model with spin imbalance on two lattices featuring a flat band: the Lieb and kagome lattices. We present mean-field phase diagrams featuring exotic superfluid phases, similar to the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state, whose stability is confirmed by dynamical mean-field theory. The nature of the pairing is found to be richer than just the Fermi surface shift responsible for the usual FFLO state. The presence of a flat band allows for changes in the particle momentum distributions at null energy cost. This facilitates formation of nontrivial superfluid phases via multiband Cooper pair formation: the momentum distribution of the spin component in the flat band deforms to mimic the Fermi surface of the other spin component residing in a dispersive band. The Fermi surface of the unpaired particles that are typical for gapless superfluids becomes deformed as well. The results highlight the profound effect of flat dispersions on Fermi surface instabilities, and provide a potential route for observing spin-imbalanced superfluidity and superconductivity.
Paired termini stabilize antisense RNAs and enhance conditional gene silencing in Escherichia coli

PubMed Central

Nakashima, Nobutaka; Tamura, Tomohiro; Good, Liam

2006-01-01

Reliable methods for conditional gene silencing in bacteria have been elusive. To improve silencing by expressed antisense RNAs (asRNAs), we systematically altered several design parameters and targeted multiple reporter and essential genes in Escherichia coli. A paired termini (PT) design, where flanking inverted repeats create paired dsRNA termini, proved effective. PTasRNAs targeted against the ackA gene within the acetate kinase-phosphotransacetylase operon (ackA-pta) triggered target mRNA decay and a 78% reduction in AckA activity with high genetic penetrance. PTasRNAs are abundant and stable and function through an RNase III independent mechanism that requires a large stoichiometric excess of asRNA. Conditional ackA silencing reduced carbon flux to acetate and increased heterologous gene expression. The PT design also improved silencing of the essential fabI gene. Full anti-fabI PTasRNA induction prevented growth and partial induction sensitized cells to a FabI inhibitor. PTasRNAs have potential for functional genomics, antimicrobial discovery and metabolic flux control. PMID:17062631
Paired termini stabilize antisense RNAs and enhance conditional gene silencing in Escherichia coli.

PubMed

Nakashima, Nobutaka; Tamura, Tomohiro; Good, Liam

2006-01-01

Reliable methods for conditional gene silencing in bacteria have been elusive. To improve silencing by expressed antisense RNAs (asRNAs), we systematically altered several design parameters and targeted multiple reporter and essential genes in Escherichia coli. A paired termini (PT) design, where flanking inverted repeats create paired dsRNA termini, proved effective. PTasRNAs targeted against the ackA gene within the acetate kinase-phosphotransacetylase operon (ackA-pta) triggered target mRNA decay and a 78% reduction in AckA activity with high genetic penetrance. PTasRNAs are abundant and stable and function through an RNase III independent mechanism that requires a large stoichiometric excess of asRNA. Conditional ackA silencing reduced carbon flux to acetate and increased heterologous gene expression. The PT design also improved silencing of the essential fabI gene. Full anti-fabI PTasRNA induction prevented growth and partial induction sensitized cells to a FabI inhibitor. PTasRNAs have potential for functional genomics, antimicrobial discovery and metabolic flux control.
Social and Demographic Effects of Anthropogenic Mortality: A Test of the Compensatory Mortality Hypothesis in the Red Wolf

PubMed Central

Sparkman, Amanda M.; Waits, Lisette P.; Murray, Dennis L.

2011-01-01

Whether anthropogenic mortality is additive or compensatory to natural mortality in animal populations has long been a question of theoretical and practical importance. Theoretically, under density-dependent conditions populations compensate for anthropogenic mortality through decreases in natural mortality and/or increases in productivity, but recent studies of large carnivores suggest that anthropogenic mortality can be fully additive to natural mortality and thereby constrain annual survival and population growth rate. Nevertheless, mechanisms underlying either compensatory or additive effects continue to be poorly understood. Using long-term data on a reintroduced population of the red wolf, we tested for evidence of additive vs. compensatory effects of anthropogenic mortality on annual survival and population growth rates, and the preservation and reproductive success of breeding pairs. We found that anthropogenic mortality had a strong additive effect on annual survival and population growth rate at low population density, though there was evidence for compensation in population growth at high density. When involving the death of a breeder, anthropogenic mortality was also additive to natural rates of breeding pair dissolution, resulting in a net decrease in the annual preservation of existing breeding pairs. However, though the disbanding of a pack following death of a breeder resulted in fewer recruits per litter relative to stable packs, there was no relationship between natural rates of pair dissolution and population growth rate at either high or low density. Thus we propose that short-term additive effects of anthropogenic mortality on population growth in the red wolf population at low density were primarily a result of direct mortality of adults rather than indirect socially-mediated effects resulting in reduced recruitment. Finally, we also demonstrate that per capita recruitment and the proportion of adults that became reproductive declined steeply with increasing population density, suggesting that there is potential for density-dependent compensation of anthropogenically-mediated population regulation. PMID:21738589
Formation of superheavy elements in the capture of very heavy ions at high excitation energies

NASA Astrophysics Data System (ADS)

Royer, G.

2013-05-01

The potential barriers governing the reactions 58Fe+244Pu, 238U+64Ni, and 238U+72Ge have been determined from a liquid-drop model taking into account the proximity energy, shell energies, rotational energy, and deformation of the incoming nuclei in the quasimolecular shape valley. Double-humped potential barriers appear in these entrance channels. The external saddle-point corresponds to two touching ellipsoidal nuclei when the shell and pairing effects are taken into account, while the inner barrier is due to the shell effects at the vicinity of the spherical shape of the composite system. Between them, a large potential pocket exists and persists at very high angular momenta allowing the capture of very heavy ions at high excitation energies.
Current hormonal contraceptive use predicts female extra-pair and dyadic sexual behavior: evidence based on Czech National Survey data.

PubMed

Klapilová, Kateřina; Cobey, Kelly D; Wells, Timothy; Roberts, S Craig; Weiss, Petr; Havlíček, Jan

2014-01-10

Data from 1155 Czech women (493 using oral contraception, 662 non-users), obtained from the Czech National Survey of Sexual Behavior, were used to investigate evolutionary-based hypotheses concerning the predictive value of current oral contraceptive (OC) use on extra-pair and dyadic (in-pair) sexual behavior of coupled women. Specifically, the aim was to determine whether current OC use was associated with lower extra-pair and higher in-pair sexual interest and behavior, because OC use suppresses cyclical shifts in mating psychology that occur in normally cycling women. Zero-inflated Poisson (ZIP) regression and negative binomial models were used to test associations between OC use and these sexual measures, controlling for other relevant predictors (e.g., age, parity, in-pair sexual satisfaction, relationship length). The overall incidence of having had an extra-pair partner or one-night stand in the previous year was not related to current OC use (the majority of the sample had not). However, among the women who had engaged in extra-pair sexual behavior, OC users had fewer one-night stands than non-users, and tended to have fewer partners, than non-users. OC users also had more frequent dyadic intercourse than non-users, potentially indicating higher commitment to their current relationship. These results suggest that suppression of fertility through OC use may alter important aspects of female sexual behavior, with potential implications for relationship functioning and stability.
A unified description of the electrochemical, charge distribution, and spectroscopic properties of the special-pair radical cation in bacterial photosynthesis.

PubMed

Reimers, Jeffrey R; Hush, Noel S

2004-04-07

We apply our four-state 70-vibration vibronic-coupling model for the properties of the photosynthetic special-pair radical cation to: (1) interpret the observed correlations between the midpoint potential and the distribution of spin density between the two bacteriochlorophylls for 30 mutants of Rhodobacter sphaeroides, (2) interpret the observed average intervalence hole-transfer absorption energies as a function of spin density for six mutants, and (3) simulate the recently obtained intervalence electroabsorption Stark spectrum of the wild-type reaction center. While three new parameters describing the location of the sites of mutation with respect to the special pair are required to describe the midpoint-potential data, a priori predictions are made for the transition energies and the Stark spectrum. In general, excellent predictions are made of the observed quantities, with deviations being typically of the order of twice the experimental uncertainties. A unified description of many chemical and spectroscopic properties of the bacterial reaction center is thus provided. Central to the analysis is the assumption that the perturbations made to the reaction center, either via mutations of protein residues or by application of an external electric field, act only to independently modify the oxidation potentials of the two halves of the special pair and hence the redox asymmetry E0. While this appears to be a good approximation, clear evidence is presented that effects of mutation can be more extensive than what is allowed for. A thorough set of analytical equations describing the observed properties is obtained using the Born-Oppenheimer adiabatic approximation. These equations are generally appropriate for intervalence charge-transfer problems and include, for the first time, full treatment of both symmetric and antisymmetric vibrational motions. The limits of validity of the adiabatic approach to the full nonadiabatic problem are obtained.
Impact of maternal obesity on inhaled corticosteroid use in childhood: a registry based analysis of first born children and a sibling pair analysis.

PubMed

Lowe, Adrian J; Ekeus, Cecilia; Bråbäck, Lennart; Rajaleid, Kristiina; Forsberg, Bertil; Hjern, Anders

2013-01-01

It has been proposed that maternal obesity during pregnancy may increase the risk that the child develops allergic disease and asthma, although the mechanisms underpinning this relationship are currently unclear. We sought to assess if this association may be due to confounding by genetic or environmental risk factors that are common to maternal obesity and childhood asthma, using a sibling pair analysis. The study population comprised a Swedish national cohort of term children born between 1992 and 2008 to native Swedish parents. Maternal body mass index (BMI) was measured at 8-10 weeks gestation. Unconditional logistic regression models were used to determine if maternal obesity was associated with increased risk of inhaled corticosteroid (ICS) in 431,718 first-born children, while adjusting for potential confounders. An age-matched discordant sib-pair analysis was performed, taking into account shared genetic and environmental risk factors. Maternal over-weight and obesity were associated with increased risk that the child would require ICS (for BMI≥35 kg/m(2), aOR = 1.30, 95%CI = 1.10-1.52 compared with normal weight mothers) in children aged 6-12 years. Similar effects were seen in younger children, but in children aged 13-16 years, maternal obesity (BMI≥30) was related to increased risk of ICS use in girls (aOR = 1.28, 95%CI = 1.07-1.53) but not boys (OR = 1.05, 95%CI = 0.87-1.26). The sib-pair analysis, which included 2,034 sib-pairs older than six years who were discordant for both ICS use and maternal BMI category, failed to find any evidence that increasing maternal weight was related to increased risk of ICS use. Maternal obesity is associated with increased risk of childhood ICS use up to approximately 12 years of age, but only in girls after this age. These effects could not be confirmed in a sib pair analysis, suggesting either limited statistical power, or the effects of maternal BMI may be due to shared genetic or environmental risk factors.
Intracranial EEG correlates of implicit relational inference within the hippocampus.

PubMed

Reber, T P; Do Lam, A T A; Axmacher, N; Elger, C E; Helmstaedter, C; Henke, K; Fell, J

2016-01-01

Drawing inferences from past experiences enables adaptive behavior in future situations. Inference has been shown to depend on hippocampal processes. Usually, inference is considered a deliberate and effortful mental act which happens during retrieval, and requires the focus of our awareness. Recent fMRI studies hint at the possibility that some forms of hippocampus-dependent inference can also occur during encoding and possibly also outside of awareness. Here, we sought to further explore the feasibility of hippocampal implicit inference, and specifically address the temporal evolution of implicit inference using intracranial EEG. Presurgical epilepsy patients with hippocampal depth electrodes viewed a sequence of word pairs, and judged the semantic fit between two words in each pair. Some of the word pairs entailed a common word (e.g., "winter-red," "red-cat") such that an indirect relation was established in following word pairs (e.g., "winter-cat"). The behavioral results suggested that drawing inference implicitly from past experience is feasible because indirect relations seemed to foster "fit" judgments while the absence of indirect relations fostered "do not fit" judgments, even though the participants were unaware of the indirect relations. A event-related potential (ERP) difference emerging 400 ms post-stimulus was evident in the hippocampus during encoding, suggesting that indirect relations were already established automatically during encoding of the overlapping word pairs. Further ERP differences emerged later post-stimulus (1,500 ms), were modulated by the participants' responses and were evident during encoding and test. Furthermore, response-locked ERP effects were evident at test. These ERP effects could hence be a correlate of the interaction of implicit memory with decision-making. Together, the data map out a time-course in which the hippocampus automatically integrates memories from discrete but related episodes to implicitly influence future decision making. © 2015 Wiley Periodicals, Inc.
Distinguishing potential bacteria-tumor associations from contamination in a secondary data analysis of public cancer genome sequence data.

PubMed

Robinson, Kelly M; Crabtree, Jonathan; Mattick, John S A; Anderson, Kathleen E; Dunning Hotopp, Julie C

2017-01-25

A variety of bacteria are known to influence carcinogenesis. Therefore, we sought to investigate if publicly available whole genome and whole transcriptome sequencing data generated by large public cancer genome efforts, like The Cancer Genome Atlas (TCGA), could be used to identify bacteria associated with cancer. The Burrows-Wheeler aligner (BWA) was used to align a subset of Illumina paired-end sequencing data from TCGA to the human reference genome and all complete bacterial genomes in the RefSeq database in an effort to identify bacterial read pairs from the microbiome. Through careful consideration of all of the bacterial taxa present in the cancer types investigated, their relative abundance, and batch effects, we were able to identify some read pairs from certain taxa as likely resulting from contamination. In particular, the presence of Mycobacterium tuberculosis complex in the ovarian serous cystadenocarcinoma (OV) and glioblastoma multiforme (GBM) samples was correlated with the sequencing center of the samples. Additionally, there was a correlation between the presence of Ralstonia spp. and two specific plates of acute myeloid leukemia (AML) samples. At the end, associations remained between Pseudomonas-like and Acinetobacter-like read pairs in AML, and Pseudomonas-like read pairs in stomach adenocarcinoma (STAD) that could not be explained through batch effects or systematic contamination as seen in other samples. This approach suggests that it is possible to identify bacteria that may be present in human tumor samples from public genome sequencing data that can be examined further experimentally. More weight should be given to this approach in the future when bacterial associations with diseases are suspected.
90 Seconds of Discovery: Frustrated Lewis Pairs

ScienceCinema

Kathmann, Shawn; Schenter, Greg; Autrey, Tom

2018-01-16

Hydrogen activating catalysts play an important role in producing valuable chemicals, such as biofuels and ammonia. As a part of efforts to develop the next generation of these catalysts, PNNL researchers have found potential in Frustrated Lewis Pairs.
Thermal detection of single e-h pairs in a biased silicon crystal detector

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

Romani, R. K.; Brink, P. L.; Cabrera, B.

We demonstrate that individual electron-hole pairs are resolved in a 1 cm 2 by 4 mm thick silicon crystal (0.93 g) operated at ~35 mK. One side of the detector is patterned with two quasiparticle-trap-assisted electro-thermal-feedback transition edge sensor arrays held near ground potential. The other side contains a bias grid with 20% coverage. Bias potentials up to ±160 V were used in the work reported here. A fiber optic provides 650 nm (1.9 eV) photons that each produce an electron-hole (e –h +) pair in the crystal near the grid. The energy of the drifting charges is measured withmore » a phonon sensor noise σ ~0.09 e – h + pair. In conclusion, the observed charge quantization is nearly identical for h +s or e –s transported across the crystal.« less
Thermal detection of single e-h pairs in a biased silicon crystal detector

DOE PAGES

Romani, R. K.; Brink, P. L.; Cabrera, B.; ...

2018-01-23

We demonstrate that individual electron-hole pairs are resolved in a 1 cm 2 by 4 mm thick silicon crystal (0.93 g) operated at ~35 mK. One side of the detector is patterned with two quasiparticle-trap-assisted electro-thermal-feedback transition edge sensor arrays held near ground potential. The other side contains a bias grid with 20% coverage. Bias potentials up to ±160 V were used in the work reported here. A fiber optic provides 650 nm (1.9 eV) photons that each produce an electron-hole (e –h +) pair in the crystal near the grid. The energy of the drifting charges is measured withmore » a phonon sensor noise σ ~0.09 e – h + pair. In conclusion, the observed charge quantization is nearly identical for h +s or e –s transported across the crystal.« less
Virtual Antiparticle Pairs, the Unit of Charge Epsilon and the QCD Coupling Alpha(sub s)

NASA Technical Reports Server (NTRS)

Batchelor, David

2001-01-01

New semi-classical models of virtual antiparticle pairs are used to compute the pair lifetimes, and good agreement with the Heisenberg lifetimes from quantum field theory (QFT) is found. When the results of the new models and QFT are combined, formulae for e and alpha(sub s)(q) are derived in terms of only h and c. The modeling method applies to both the electromagnetic and color forces. Evaluation of the action integral of potential field fluctuation for each interaction potential yields approx. = h/2 for both electromagnetic and color fluctuations, in agreement with QFT. Thus each model is a quantized semiclassical representation for such virtual antiparticle pairs, to good approximation. This work reduces the number of arbitrary parameters of the Standard Model by two from 18 to 16. These are remarkable, unexpected results from a basically classical method.
Thermal detection of single e-h pairs in a biased silicon crystal detector

NASA Astrophysics Data System (ADS)

Romani, R. K.; Brink, P. L.; Cabrera, B.; Cherry, M.; Howarth, T.; Kurinsky, N.; Moffatt, R. A.; Partridge, R.; Ponce, F.; Pyle, M.; Tomada, A.; Yellin, S.; Yen, J. J.; Young, B. A.

2018-01-01

We demonstrate that individual electron-hole pairs are resolved in a 1 cm2 by 4 mm thick silicon crystal (0.93 g) operated at ˜35 mK. One side of the detector is patterned with two quasiparticle-trap-assisted electro-thermal-feedback transition edge sensor arrays held near ground potential. The other side contains a bias grid with 20% coverage. Bias potentials up to ±160 V were used in the work reported here. A fiber optic provides 650 nm (1.9 eV) photons that each produce an electron-hole (e- h+) pair in the crystal near the grid. The energy of the drifting charges is measured with a phonon sensor noise σ ˜0.09 e- h+ pair. The observed charge quantization is nearly identical for h+s or e-s transported across the crystal.
Sentence Context and Word-Picture Cued-Recall Paired-Associate Learning Procedure Boosts Recall in Normal and Mild Alzheimer's Disease Patients.

PubMed

Iodice, Rosario; Meilán, Juan José García; Ramos, Juan Carro; Small, Jeff A

2018-01-01

The aim of this study was to employ the word-picture paradigm to examine the effectiveness of combined pictorial illustrations and sentences as strong contextual cues. The experiment details the performance of word recall in healthy older adults (HOA) and mild Alzheimer's disease (AD). The researchers enhanced the words' recall with word-picture condition and when the pair was associated with a sentence contextualizing the two items. The sample was composed of 18 HOA and 18 people with mild AD. Participants memorized 15 pairs of words under word-word and word-picture conditions, with and without a sentence context. In the paired-associate test, the first item of the pair was read aloud by participants and used to elicit retrieval of the associated item. The findings suggest that both HOA and mild-AD pictures improved item recall compared to word condition such as sentences which further enabled item recall. Additionally, the HOA group performs better than the mild-AD group in all conditions. Word-picture and sentence context strengthen the encoding in the explicit memory task, both in HOA and mild AD. These results open a potential window to improve the memory for verbalized instructions and restore sequential abilities in everyday life, such as brushing one's teeth, fastening one's pants, or drying one's hands.
Sentence Context and Word-Picture Cued-Recall Paired-Associate Learning Procedure Boosts Recall in Normal and Mild Alzheimer's Disease Patients

PubMed Central

Meilán, Juan José García; Ramos, Juan Carro; Small, Jeff A.

2018-01-01

Introduction The aim of this study was to employ the word-picture paradigm to examine the effectiveness of combined pictorial illustrations and sentences as strong contextual cues. The experiment details the performance of word recall in healthy older adults (HOA) and mild Alzheimer's disease (AD). The researchers enhanced the words' recall with word-picture condition and when the pair was associated with a sentence contextualizing the two items. Method The sample was composed of 18 HOA and 18 people with mild AD. Participants memorized 15 pairs of words under word-word and word-picture conditions, with and without a sentence context. In the paired-associate test, the first item of the pair was read aloud by participants and used to elicit retrieval of the associated item. Results The findings suggest that both HOA and mild-AD pictures improved item recall compared to word condition such as sentences which further enabled item recall. Additionally, the HOA group performs better than the mild-AD group in all conditions. Conclusions Word-picture and sentence context strengthen the encoding in the explicit memory task, both in HOA and mild AD. These results open a potential window to improve the memory for verbalized instructions and restore sequential abilities in everyday life, such as brushing one's teeth, fastening one's pants, or drying one's hands. PMID:29849813

Case Report of Kidney Paired Donation (KPD) with Desensitization: the Strategy and Experience of 3-Way KPD in Samsung Medical Center.

PubMed

Oh, Dongkyu; Kang, Eun Suk; Yu, Shinae; Chun, Kyoungsuk; Huh, Wooseong; Jang, Hye Ryoun; Cho, Chan Woo; Lee, Nuri; Lee, Kyo Won; Park, Hyojun; Park, Jae Berm; Kim, Sung Joo

2018-01-29

As the need for the organ donation increases, strategies to increase kidney transplantation (KT) through expanded living donation have become essential. These include kidney paired donation (KPD) programs and desensitization in incompatible transplantations. KPD enables kidney transplant candidates with incompatible living donors to join a registry with other incompatible pairs in order to find potentially compatible living donor. Positive cross match and ABO incompatible transplantation has been successfully accomplished in selective cases with several pre-conditionings. Patients who are both difficult-to-match due to broad sensitization and hard-to-desensitize because of donor conditions can often be successfully transplanted through a combination of KPD and desensitization. According to the existing data, KPD can increase the number of KTs from living donors with excellent clinical results. This is also a cost-effective treatment as compared with dialysis and desensitization protocols. We carried out 3-way KPD transplantation with one highly sensitized, positive cross match pair and with two ABO incompatible pairs. Herein we report our first successful 3-way KPD transplantation in a single center. To maximize donor-recipient matching and minimize immunologic risk, KPD programs should use proper algorithms with desensitization to identify optimal donor with simultaneous two-, three- or more complex multi-way exchanges. © 2018 The Korean Academy of Medical Sciences.
Common misconceptions about the dynamical theory of crystal lattices: Cauchy relations, lattice potentials and infinite crystals

NASA Astrophysics Data System (ADS)

Elcoro, Luis; Etxebarria, Jesús

2011-01-01

The requirement of rotational invariance for lattice potential energies is investigated. Starting from this condition, it is shown that the Cauchy relations for the elastic constants are fulfilled if the lattice potential is built from pair interactions or when the first-neighbour approximation is adopted. This is seldom recognized in widely used solid-state textbooks. Frequently, pair interaction is even considered to be the most general situation. In addition, it is shown that the demand of rotational invariance in an infinite crystal leads to inconsistencies in the symmetry of the elastic tensor. However, for finite crystals, no problems arise, and the Huang conditions are deduced using exclusively a microscopic approach for the elasticity theory, without making any reference to macroscopic parameters. This work may be useful in both undergraduate and graduate level courses to point out the crudeness of the pair-potential interaction and to explore the limits of the infinite-crystal approximation.
Structure and orientational ordering in a fluid of elongated quadrupolar molecules

NASA Astrophysics Data System (ADS)

Singh, Ram Chandra

2013-01-01

A second-order density-functional theory is used to study the effect of quadrupolar interactions on the isotropic-nematic transition in a system of fluids of elongated molecules interacting via the Gay-Berne potential. The direct pair-correlation functions of the coexisting isotropic fluid that enter in the theory as input information are obtained by solving the Ornstein-Zernike equation using the Percus-Yevick integral equation theory in the (reduced) temperature range of 1.6≤T∗≤3.0 for different densities, temperatures and quadrupole moments. Using the harmonic coefficients of the direct pair-correlation functions, isotropic-nematic phase coexistence and thermodynamic parameters have been calculated. The theoretical results have been compared with the available computer simulation results.
CPM Pairs from LSPM so far not WDS Listed â Part II

NASA Astrophysics Data System (ADS)

Knapp, Wilfried; Nanson, John

2017-10-01

The LSPM catalog (Lepine and Shara 2005) is a rich source for CPM pairs we thought already exhausted â but as we found during research for our report âA new concept for counter-checking of assumed CPM pairsâ (Knapp and Nanson 2017) there are still many poten-tial CPM pairs indicated in LSPM which as of the end of 2016 are not listed in the WDS cata-log. After our first part on about 40 such objects (Knapp and Nanson 2017) the next report with about 30 additional common proper motion pairs is presented here.
Long-term potentiation protects rat hippocampal slices from the effects of acute hypoxia.

PubMed

Youssef, F F; Addae, J I; McRae, A; Stone, T W

2001-07-13

We have previously shown that long-term potentiation (LTP) decreases the sensitivity of glutamate receptors in the rat hippocampal CA1 region to exogenously applied glutamate agonists. Since the pathophysiology of hypoxia/ischemia involves increased concentration of endogenous glutamate, we tested the hypothesis that LTP could reduce the effects of hypoxia in the hippocampal slice. The effects of LTP on hypoxia were measured by the changes in population spike potentials (PS) or field excitatory post-synaptic potentials (fepsps). Hypoxia was induced by perfusing the slice with (i) artificial CSF which had been pre-gassed with 95%N2/5% CO2; (ii) artificial CSF which had not been pre-gassed with 95% O2/5% CO2; or (iii) an oxygen-glucose deprived (OGD) medium which was similar to (ii) and in which the glucose had been replaced with sucrose. Exposure of a slice to a hypoxic medium for 1.5-3.0 min led to a decrease in the PS or fepsps; the potentials recovered to control levels within 3-5 min. Repeat exposure, 45 min later, of the same slice to the same hypoxic medium for the same duration as the first exposure caused a reduction in the potentials again; there were no significant differences between the degree of reduction caused by the first or second exposure for all three types of hypoxic media (P>0.05; paired t-test). In some of the slices, two episodes of LTP were induced 25 and 35 min after the first hypoxic exposure; this caused inhibition of reduction in potentials caused by the second hypoxic insult which was given at 45 min after the first; the differences in reduction in potentials were highly significant for all the hypoxic media used (P<0.01; paired t-test). The neuroprotective effects of LTP were not prevented by cyclothiazide or inhibitors of NO synthetase compounds that have been shown to be effective in blocking the effects of LTP on the actions of exogenously applied AMPA and NMDA, respectively. The neuroprotective effects of LTP were similar to those of propentofylline, a known neuroprotective compound. We conclude that LTP causes an appreciable protection of hippocampal slices to various models of acute hypoxia. This phenomenon does not appear to involve desensitisation of AMPA receptors or mediation by NO, but may account for the recognised inverse relationship between educational attainment and the development of dementia.
The Effects of Reinforcer Pairing and Fading on Preschoolers' Snack Selections

ERIC Educational Resources Information Center

Solberg, Katherine M.; Hanley, Gregory P.; Layer, Stacy A.; Ingvarsson, Einar T.

2007-01-01

The effects of reinforcement pairing and fading on preschoolers' snack selections were evaluated in a multiple baseline design. Baseline preferences for snack options were assessed via repeated paired-item preference assessments. Edible, social, and activity-based reinforcers were then exclusively paired with a less preferred snack option. Once…
Increased CO2 stimulates reproduction in a coral reef fish.

PubMed

Miller, Gabrielle M; Watson, Sue-Ann; McCormick, Mark I; Munday, Philip L

2013-10-01

Ocean acidification is predicted to negatively impact the reproduction of many marine species, either by reducing fertilization success or diverting energy from reproductive effort. While recent studies have demonstrated how ocean acidification will affect larval and juvenile fishes, little is known about how increasing partial pressure of carbon dioxide (pCO(2)) and decreasing pH might affect reproduction in adult fishes. We investigated the effects of near-future levels of pCO(2) on the reproductive performance of the cinnamon anemonefish, Amphiprion melanopus, from the Great Barrier Reef, Australia. Breeding pairs were held under three CO(2) treatments [Current-day Control (430 μatm), Moderate (584 μatm) and High (1032 μatm)] for a 9-month period that included the summer breeding season. Unexpectedly, increased CO(2) dramatically stimulated breeding activity in this species of fish. Over twice as many pairs bred in the Moderate (67% of pairs) and High (55%) compared to the Control (27%) CO(2) treatment. Pairs in the High CO(2) group produced double the number of clutches per pair and 67% more eggs per clutch compared to the Moderate and Control groups. As a result, reproductive output in the High group was 82% higher than that in the Control group and 50% higher than that in the Moderate group. Despite the increase in reproductive activity, there was no difference in adult body condition among the three treatment groups. There was no significant difference in hatchling length between the treatment groups, but larvae from the High CO(2) group had smaller yolks than Controls. This study provides the first evidence of the potential effects of ocean acidification on key reproductive attributes of marine fishes and, contrary to expectations, demonstrates an initially stimulatory (hormetic) effect in response to increased pCO(2). However, any long-term consequences of increased reproductive effort on individuals or populations remain to be determined. © 2013 John Wiley & Sons Ltd.
Induction of Long-term Depression-like Plasticity by Pairings of Motor Imagination and Peripheral Electrical Stimulation

PubMed Central

Jochumsen, Mads; Signal, Nada; Nedergaard, Rasmus W.; Taylor, Denise; Haavik, Heidi; Niazi, Imran K.

2015-01-01

Long-term depression (LTD) and long-term potentiation (LTP)-like plasticity are models of synaptic plasticity which have been associated with memory and learning. The induction of LTD and LTP-like plasticity, using different stimulation protocols, has been proposed as a means of addressing abnormalities in cortical excitability associated with conditions such as focal hand dystonia and stroke. The aim of this study was to investigate whether the excitability of the cortical projections to the tibialis anterior (TA) muscle could be decreased when dorsiflexion of the ankle joint was imagined and paired with peripheral electrical stimulation (ES) of the nerve supplying the antagonist soleus muscle. The effect of stimulus timing was evaluated by comparing paired stimulation timed to reach the cortex before, at and after the onset of imagined movement. Fourteen healthy subjects participated in six experimental sessions held on non-consecutive days. The timing of stimulation delivery was determined oﬄine based on the contingent negative variation (CNV) of electroencephalography brain data obtained during imagined dorsiflexion. Afferent stimulation was provided via a single pulse ES to the peripheral nerve paired, based on the CNV, with motor imagination of ankle dorsiflexion. A significant decrease (P = 0.001) in the excitability of the cortical projection of TA was observed when the afferent volley from the ES of the tibial nerve (TN) reached the cortex at the onset of motor imagination based on the CNV. When TN stimulation was delivered before (P = 0.62), or after (P = 0.23) imagined movement onset there was no significant effect. Nor was a significant effect found when ES of the TN was applied independent of imagined movement (P = 0.45). Therefore, the excitability of the cortical projection to a muscle can be inhibited when ES of the nerve supplying the antagonist muscle is precisely paired with the onset of imagined movement. PMID:26648859
Induction of Long-term Depression-like Plasticity by Pairings of Motor Imagination and Peripheral Electrical Stimulation.

PubMed

Jochumsen, Mads; Signal, Nada; Nedergaard, Rasmus W; Taylor, Denise; Haavik, Heidi; Niazi, Imran K

2015-01-01

Long-term depression (LTD) and long-term potentiation (LTP)-like plasticity are models of synaptic plasticity which have been associated with memory and learning. The induction of LTD and LTP-like plasticity, using different stimulation protocols, has been proposed as a means of addressing abnormalities in cortical excitability associated with conditions such as focal hand dystonia and stroke. The aim of this study was to investigate whether the excitability of the cortical projections to the tibialis anterior (TA) muscle could be decreased when dorsiflexion of the ankle joint was imagined and paired with peripheral electrical stimulation (ES) of the nerve supplying the antagonist soleus muscle. The effect of stimulus timing was evaluated by comparing paired stimulation timed to reach the cortex before, at and after the onset of imagined movement. Fourteen healthy subjects participated in six experimental sessions held on non-consecutive days. The timing of stimulation delivery was determined oﬄine based on the contingent negative variation (CNV) of electroencephalography brain data obtained during imagined dorsiflexion. Afferent stimulation was provided via a single pulse ES to the peripheral nerve paired, based on the CNV, with motor imagination of ankle dorsiflexion. A significant decrease (P = 0.001) in the excitability of the cortical projection of TA was observed when the afferent volley from the ES of the tibial nerve (TN) reached the cortex at the onset of motor imagination based on the CNV. When TN stimulation was delivered before (P = 0.62), or after (P = 0.23) imagined movement onset there was no significant effect. Nor was a significant effect found when ES of the TN was applied independent of imagined movement (P = 0.45). Therefore, the excitability of the cortical projection to a muscle can be inhibited when ES of the nerve supplying the antagonist muscle is precisely paired with the onset of imagined movement.
Intermolecular interactions of trifluorohalomethanes with Lewis bases in the gas phase: An ab initio study

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

Wang, Yi-Siang; Yin, Chih-Chien; Chao, Sheng D., E-mail: sdchao@spring.iam.ntu.edu.tw

2014-10-07

We perform an ab initio computational study of molecular complexes with the general formula CF{sub 3}X—B that involve one trifluorohalomethane CF{sub 3}X (X = Cl or Br) and one of a series of Lewis bases B in the gas phase. The Lewis bases are so chosen that they provide a range of electron-donating abilities for comparison. Based on the characteristics of their electron pairs, we consider the Lewis bases with a single n-pair (NH{sub 3} and PH{sub 3}), two n-pairs (H{sub 2}O and H{sub 2}S), two n-pairs with an unsaturated bond (H{sub 2}CO and H{sub 2}CS), and a single π-pairmore » (C{sub 2}H{sub 4}) and two π-pairs (C{sub 2}H{sub 2}). The aim is to systematically investigate the influence of the electron pair characteristics and the central atom substitution effects on the geometries and energetics of the formed complexes. The counterpoise-corrected supermolecule MP2 and coupled-cluster single double with perturbative triple [CCSD(T)] levels of theory have been employed, together with a series of basis sets up to aug-cc-pVTZ. The angular and radial configurations, the binding energies, and the electrostatic potentials of the stable complexes have been compared and discussed as the Lewis base varies. For those complexes where halogen bonding plays a significant role, the calculated geometries and energetics are consistent with the σ-hole model. Upon formation of stable complexes, the C–X bond lengths shorten, while the C–X vibrational frequencies increase, thus rendering blueshifting halogen bonds. The central atom substitution usually enlarges the intermolecular bond distances while it reduces the net charge transfers, thus weakening the bond strengths. The analysis based on the σ-hole model is grossly reliable but requires suitable modifications incorporating the central atom substitution effects, in particular, when interaction components other than electrostatic contributions are involved.« less
Superconducting proximity in three-dimensional Dirac materials: Odd-frequency, pseudoscalar, pseudovector, and tensor-valued superconducting orders

NASA Astrophysics Data System (ADS)

Faraei, Zahra; Jafari, S. A.

2017-10-01

We find that a conventional s -wave superconductor in proximity to a three-dimensional Dirac material (3DDM), to all orders of perturbation in tunneling, induces a combination of s - and p -wave pairing only. We show that the Lorentz invariance of the superconducting pairing prevents the formation of Cooper pairs with higher orbital angular momenta in the 3DDM. This no-go theorem acquires stronger form when the probability of tunneling from the conventional superconductor to positive and negative energy states of 3DDM are equal. In this case, all the p -wave contribution except for the lowest order, identically vanish and hence we obtain an exact result for the induced p -wave superconductivity in 3DDM. Fierz decomposing the superconducting matrix we find that the temporal component of the vector superconducting order and the spatial components of the pseudovector order have odd-frequency pairing symmetry. We find that the latter is odd with respect to exchange of position and chirality of the electrons in the Cooper pair and is a spin-triplet, which is necessary for NMR detection of such an exotic pseudovector pairing. Moreover, we show that the tensorial order breaks into a polar vector and an axial vector and both of them have conventional pairing symmetry except for being a spin triplet. According to our study, for gapless 3DDM, the tensorial superconducting order will be the only order that is odd with respect to the chemical potential μ . Therefore we predict that a transverse p -n junction binds Majorana fermions. This effect can be used to control the neutral Majorana fermions with electric fields.
Injection port derivatization following ion-pair hollow fiber-protected liquid-phase microextraction for determining acidic herbicides by gas chromatography/mass spectrometry.

PubMed

Wu, Jingming; Lee, Hian Kee

2006-10-15

Injection port derivatization following ion-pair hollow fiber-protected liquid-phase microextraction (LPME) for the trace determination of acidic herbicides (2,4-dichlorobenzoic acid, 2,4-dichlorophenoxyacetic acid, 2-(2,4-dichlorophenoxy)propionic acid, 3,5-dichlorobenzoic acid, 2-(2,4,5-trichlorophenoxy)propionic acid) in aqueous samples by gas chromatography/mass spectrometry (GC/MS) was developed. Prior to GC injection port derivatization, acidic herbicides were converted into their ion-pair complexes with tetrabutylammonium chloride in aqueous samples and then extracted by 1-octanol impregnated in the hollow fiber. Upon injection, ion pairs of acidic herbicides were quantitatively derivatized to their butyl esters in the GC injection port. Thus, several parameters related to the derivatization process (i.e., injection temperature, purge-off time) were evaluated, and main parameters affecting the hollow fiber-protected LPME procedure such as extraction organic solvent, ion-pair reagent type, pH of aqueous medium, concentration of ion-pair reagent, sodium chloride concentration added to the aqueous medium, stirring speed, and extraction time profile, optimized. At the selected extraction and derivatization conditions, no matrix effects were observed. This method proved good repeatability (RSDs <12.3%, n = 6) and good linearity (r2 > or = 0.9939) for spiked deionized water samples for five analytes. The limits of detection were in the range of 0.51-13.7 ng x L(-1) (S/N =3) under GC/MS selected ion monitoring mode. The results demonstrated that injection port derivatization following ion-pair hollow fiber-protected LPME was a simple, rapid, and accurate method for the determination of trace acidic herbicides from aqueous samples. In addition, this method proved to be environmentally friendly since it completely avoided open derivatization with potentially hazardous reagents.
Charged patchy particle models in explicit salt: Ion distributions, electrostatic potentials, and effective interactions.

PubMed

Yigit, Cemil; Heyda, Jan; Dzubiella, Joachim

2015-08-14

We introduce a set of charged patchy particle models (CPPMs) in order to systematically study the influence of electrostatic charge patchiness and multipolarity on macromolecular interactions by means of implicit-solvent, explicit-ion Langevin dynamics simulations employing the Gromacs software. We consider well-defined zero-, one-, and two-patched spherical globules each of the same net charge and (nanometer) size which are composed of discrete atoms. The studied mono- and multipole moments of the CPPMs are comparable to those of globular proteins with similar size. We first characterize ion distributions and electrostatic potentials around a single CPPM. Although angle-resolved radial distribution functions reveal the expected local accumulation and depletion of counter- and co-ions around the patches, respectively, the orientation-averaged electrostatic potential shows only a small variation among the various CPPMs due to space charge cancellations. Furthermore, we study the orientation-averaged potential of mean force (PMF), the number of accumulated ions on the patches, as well as the CPPM orientations along the center-to-center distance of a pair of CPPMs. We compare the PMFs to the classical Derjaguin-Verwey-Landau-Overbeek theory and previously introduced orientation-averaged Debye-Hückel pair potentials including dipolar interactions. Our simulations confirm the adequacy of the theories in their respective regimes of validity, while low salt concentrations and large multipolar interactions remain a challenge for tractable theoretical descriptions.
Comparison of single bout effects of bicycle training versus locomotor training on paired reflex depression of the soleus H-reflex after motor incomplete spinal cord injury.

PubMed

Phadke, Chetan P; Flynn, Sheryl M; Thompson, Floyd J; Behrman, Andrea L; Trimble, Mark H; Kukulka, Carl G

2009-07-01

To examine paired reflex depression changes post 20-minute bout each of 2 training environments: stationary bicycle ergometer training (bicycle training) and treadmill with body weight support and manual assistance (locomotor training). Pretest-posttest repeated-measures. Locomotor laboratory. Motor incomplete SCI (n=12; mean, 44+/-16y); noninjured subjects (n=11; mean, 30.8+/-8.3y). All subjects received each type of training on 2 separate days. Paired reflex depression at different interstimulus intervals (10 s, 1 s, 500 ms, 200 ms, and 100 ms) was measured before and after both types of training. (1) Depression was significantly less post-SCI compared with noninjured subjects at all interstimulus intervals and (2) post-SCI at 100-millisecond interstimulus interval: reflex depression significantly increased postbicycle training in all SCI subjects and in the chronic and spastic subgroups (P<.05). Phase-dependent regulation of reflex excitability, essential to normal locomotion, coordinated by pre- and postsynaptic inhibitory processes (convergent action of descending and segmental inputs onto spinal circuits) is impaired post-SCI. Paired reflex depression provides a quantitative assay of inhibitory processes contributing to phase-dependent changes in reflex excitability. Because bicycle training normalized reflex depression, we propose that bicycling may have a potential role in walking rehabilitation, and future studies should examine the long-term effects on subclinical measures of reflex activity and its relationship to functional outcomes.
Whole exome sequencing to estimate alloreactivity potential between donors and recipients in stem cell transplantation

PubMed Central

Sampson, Juliana K.; Sheth, Nihar U.; Koparde, Vishal N.; Scalora, Allison F.; Serrano, Myrna G.; Lee, Vladimir; Roberts, Catherine H.; Jameson-Lee, Max; Ferreira-Gonzalez, Andrea; Manjili, Masoud H.; Buck, Gregory A.; Neale, Michael C.; Toor, Amir A.

2016-01-01

Summary Whole exome sequencing (WES) was performed on stem cell transplant donor-recipient (D-R) pairs to determine the extent of potential antigenic variation at a molecular level. In a small cohort of D-R pairs, a high frequency of sequence variation was observed between the donor and recipient exomes independent of human leucocyte antigen (HLA) matching. Nonsynonymous, nonconservative single nucleotide polymorphisms were approximately twice as frequent in HLA-matched unrelated, compared with related D-R pairs. When mapped to individual chromosomes, these polymorphic nucleotides were uniformly distributed across the entire exome. In conclusion, WES reveals extensive nucleotide sequence variation in the exomes of HLA-matched donors and recipients. PMID:24749631
Hyperthermia heating apparatus. [cancer therapy

NASA Technical Reports Server (NTRS)

Gammell, P. M. (Inventor)

1982-01-01

Electromagnetic energy is delivered to a localized area of a patient's body in a hyperthermic treatment so that it provides a uniform distribution of electromagnetic flux lines within the localized area of the patient's body and produces a uniform and localized heating gradient. An electrode array includes a number of electrodes which are arranged in pair, with the electrodes in each pair being spaced a particular distance apart. The array is driven by a balanced line system which is electromagnetically coupled to each pair of electrodes and which is shielded by a ground coaxial shield which itself is ground to the body of the patient. Each electrode is embedded in a Teflon stand-off in order to move the region of strong field, from the body, produced by rapidly changing potentials. The two pairs of electrodes forming a cross-like geometry are used with the balanced line systems. The electrical power is either multiplexed among the electrodes or the second pair is driven by a potential which is sinusoidal and which is 90% out of phase with the first balanced line system which is also sinusoidal.
Neural Correlates of Encoding Within- and Across-Domain Inter-Item Associations

PubMed Central

Park, Heekyeong; Rugg, Michael D.

2012-01-01

The neural correlates of the encoding of associations between pairs of words, pairs of pictures, and word-picture pairs were compared. The aims were to determine first, whether the neural correlates of associative encoding vary according to study material and second, whether encoding of across- versus within-material item pairs is associated with dissociable patterns of hippocampal and perirhinal activity, as predicted by the ‘domain dichotomy’ hypothesis of medial temporal lobe (MTL) function. While undergoing fMRI scanning, subjects (n = 24) were presented with the three classes of study pairs, judging which of the denoted objects fit into the other. Outside of the scanner, subjects then undertook an associative recognition task, discriminating between intact study pairs, rearranged pairs comprising items that had been presented on different study trials, and unstudied item pairs. The neural correlates of successful associative encoding – subsequent associative memory effects – were operationalized as the difference in activity between study pairs correctly judged intact versus pairs incorrectly judged rearranged on the subsequent memory test. Pair type-independent subsequent memory effects were evident in the left inferior frontal gyrus (IFG) and the hippocampus. Picture-picture pairs elicited material-selective effects in regions of fusiform cortex that were also activated to a greater extent on picture trials than word trials, while word-word pairs elicited material-selective subsequent memory effects in left lateral temporal cortex. Contrary to the domain-dichotomy hypothesis, neither hippocampal nor perirhinal subsequent memory effects differed depending on whether they were elicited by within- versus across-material study pairs. It is proposed that the left IFG plays a domain-general role in associative encoding, that associative encoding can also be facilitated by enhanced processing in material-selective cortical regions, and that the hippocampus and perirhinal cortex contribute equally to the formation of inter-item associations regardless of whether the items belong to the same or to different processing domains. PMID:21254802
Ab initio study on electronically excited states of lithium isocyanide, LiNC

NASA Astrophysics Data System (ADS)

Yasumatsu, Hisato; Jeung, Gwang-Hi

2014-01-01

The electronically excited states of the lithium isocyanide molecule, LiNC, were studied by means of ab initio calculations. The bonding nature of LiNC up to ∼10 eV is discussed on the basis of the potential energy surfaces according to the interaction between the ion-pair and covalent states. The ion-pair states are described by Coulomb attractive interaction in the long distance range, while the covalent ones are almost repulsive or bound with a very shallow potential dent. These two states interact each other to form adiabatic potential energy surfaces with non-monotonic change in the potential energy with the internuclear distance.
Entropy driven key-lock assembly.

PubMed

Odriozola, G; Jiménez-Angeles, F; Lozada-Cassou, M

2008-09-21

The effective interaction between a sphere with an open cavity (lock) and a spherical macroparticle (key), both immersed in a hard sphere fluid, is studied by means of Monte Carlo simulations. As a result, a two-dimensional map of the key-lock effective interaction potential is constructed, which leads to the proposal of a self-assembling mechanism: There exists trajectories through which the key-lock pair could assemble avoiding trespassing potential barriers. Hence, solely the entropic contribution can induce their self-assembling even in the absence of attractive forces. This study points out the solvent contribution within the underlying mechanisms of substrate-protein assemblydisassembly processes, which are important steps of the enzyme catalysis and protein mediated transport.
Entropy driven key-lock assembly

NASA Astrophysics Data System (ADS)

Odriozola, G.; Jiménez-Ángeles, F.; Lozada-Cassou, M.

2008-09-01

The effective interaction between a sphere with an open cavity (lock) and a spherical macroparticle (key), both immersed in a hard sphere fluid, is studied by means of Monte Carlo simulations. As a result, a two-dimensional map of the key-lock effective interaction potential is constructed, which leads to the proposal of a self-assembling mechanism: There exists trajectories through which the key-lock pair could assemble avoiding trespassing potential barriers. Hence, solely the entropic contribution can induce their self-assembling even in the absence of attractive forces. This study points out the solvent contribution within the underlying mechanisms of substrate-protein assembly/disassembly processes, which are important steps of the enzyme catalysis and protein mediated transport.

Effect of pairwise additivity on finite-temperature behavior of classical ideal gas

NASA Astrophysics Data System (ADS)

Shekaari, Ashkan; Jafari, Mahmoud

2018-05-01

Finite-temperature molecular dynamics simulations have been applied to inquire into the effect of pairwise additivity on the behavior of classical ideal gas within the temperature range of T = 250-4000 K via applying a variety of pair potentials and then examining the temperature dependence of a number of thermodynamical properties. Examining the compressibility factor reveals the most deviation from ideal-gas behavior for the Lennard-Jones system mainly due to the presence of both the attractive and repulsive terms. The systems with either attractive or repulsive intermolecular potentials are found to present no resemblance to real gases, but the most similarity to the ideal one as temperature rises.
Do the repulsive and attractive pair forces play separate roles for the physics of liquids?

PubMed

Bøhling, Lasse; Veldhorst, Arno A; Ingebrigtsen, Trond S; Bailey, Nicholas P; Hansen, Jesper S; Toxvaerd, Søren; Schrøder, Thomas B; Dyre, Jeppe C

2013-01-23

According to standard liquid-state theory repulsive and attractive pair forces play distinct roles for the physics of liquids. This paradigm is put into perspective here by demonstrating a continuous series of pair potentials that have virtually the same structure and dynamics, although only some of them have attractive forces of significance. Our findings reflect the fact that the motion of a given particle is determined by the total force on it, whereas the quantity usually discussed in liquid-state theory is the individual pair force.
Concreteness and relational effects on recall of adjective-noun pairs.

PubMed

Paivio, A; Khan, M; Begg, I

2000-09-01

Extending previous research on the problem, we studied the effects of concreteness and relatedness of adjective-noun pairs on free recall, cued recall, and memory integration. Two experiments varied the attributes in paired associates lists or sentences. Consistent with predictions from dual coding theory and prior results with noun-noun pairs, both experiments showed that the effects of concreteness were strong and independent of relatedness in free recall and cued recall. The generally positive effects of relatedness were absent in the case of free recall of sentences. The two attributes also had independent (additive) effects on integrative memory as measured by conditionalized free recall of pairs. Integration as measured by the increment from free to cued recall occurred consistently only when pairs were high in both concreteness and relatedness. Explanations focused on dual coding and relational-distinctiveness processing theories as well as task variables that affect integration measures.
The picture superiority effect in associative recognition.

PubMed

Hockley, William E

2008-10-01

The picture superiority effect has been well documented in tests of item recognition and recall. The present study shows that the picture superiority effect extends to associative recognition. In three experiments, students studied lists consisting of random pairs of concrete words and pairs of line drawings; then they discriminated between intact (old) and rearranged (new) pairs of words and pictures at test. The discrimination advantage for pictures over words was seen in a greater hit rate for intact picture pairs, but there was no difference in the false alarm rates for the two types of stimuli. That is, there was no mirror effect. The same pattern of results was found when the test pairs consisted of the verbal labels of the pictures shown at study (Experiment 4), indicating that the hit rate advantage for picture pairs represents an encoding benefit. The results have implications for theories of the picture superiority effect and models of associative recognition.
Distinguishing familiarity from fluency for the compound word pair effect in associative recognition.

PubMed

Ahmad, Fahad N; Hockley, William E

2017-09-01

We examined whether processing fluency contributes to associative recognition of unitized pre-experimental associations. In Experiments 1A and 1B, we minimized perceptual fluency by presenting each word of pairs on separate screens at both study and test, yet the compound word (CW) effect (i.e., hit and false-alarm rates greater for CW pairs with no difference in discrimination) did not reduce. In Experiments 2A and 2B, conceptual fluency was examined by comparing transparent (e.g., hand bag) and opaque (e.g., rag time) CW pairs in lexical decision and associative recognition tasks. Lexical decision was faster for transparent CWs (Experiment 2A) but in associative recognition, the CW effect did not differ by CW pair type (Experiment 2B). In Experiments 3A and 3B, we examined whether priming that increases processing fluency would influence the CW effect. In Experiment 3A, CW and non-compound word pairs were preceded with matched and mismatched primes at test in an associative recognition task. In Experiment 3B, only transparent and opaque CW pairs were presented. Results showed that presenting matched versus mismatched primes at test did not influence the CW effect. The CW effect in yes-no associative recognition is due to reliance on enhanced familiarity of unitized CW pairs.
Variational Approach in the Theory of Liquid-Crystal State

NASA Astrophysics Data System (ADS)

Gevorkyan, E. V.

2018-03-01

The variational calculus by Leonhard Euler is the basis for modern mathematics and theoretical physics. The efficiency of variational approach in statistical theory of liquid-crystal state and in general case in condensed state theory is shown. The developed approach in particular allows us to introduce correctly effective pair interactions and optimize the simple models of liquid crystals with help of realistic intermolecular potentials.
Thermodynamics and defect chemistry of substitutional and interstitial cation doping in layered α-V2O5.

PubMed

McColl, Kit; Johnson, Ian; Corà, Furio

2018-05-25

A systematic study of the location and energetics of cation dopants in α-V2O5 has been conducted using pair-potential methods, supplemented by first-principles calculations. The consequences of doping on intrinsic defect equilibria have been discussed and the effects of selected dopants on Li+ and Mg2+ diffusion energy barriers have been investigated.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Berrondo, M.

We calculate the equilibrium configurations of a system of deuterium atoms absorbed in palladium. The interaction potential energy is taken as a sum of pair functionals including non-additive effects, which are crucial for this case. We conclude from our calculations that the most probable configuration for the deuterium in the {beta}-phase of PdD involves at least a partial occupation of the tetrahedral sites of the fcc palladium unit cell.
Development of Lexical-Semantic Language System: N400 Priming Effect for Spoken Words in 18- and 24-Month Old Children

ERIC Educational Resources Information Center

Rama, Pia; Sirri, Louah; Serres, Josette

2013-01-01

Our aim was to investigate whether developing language system, as measured by a priming task for spoken words, is organized by semantic categories. Event-related potentials (ERPs) were recorded during a priming task for spoken words in 18- and 24-month-old monolingual French learning children. Spoken word pairs were either semantically related…
A corresponding-states framework for the description of the Mie family of intermolecular potentials

NASA Astrophysics Data System (ADS)

Ramrattan, N. S.; Avendaño, C.; Müller, E. A.; Galindo, A.

2015-05-01

The Mie (λr, λa) intermolecular pair potential has been suggested as an alternative to the traditional Lennard-Jones (12-6) potential for modelling real systems both via simulation and theory as its implementation leads to an accuracy and flexibility in the determination of thermophysical properties that cannot be obtained when potentials of fixed range are considered. An additional advantage of using variable-range potentials is noted in the development of coarse-grained models where, as the superatoms become larger, the effective potentials are seen to become softer. However, the larger number of parameters that characterise the Mie potential (λr, λa, σ, ɛ) can hinder a rational study of the particular effects that each individual parameter have on the observed thermodynamic properties and phase equilibria, and higher degeneracy of models is observed. Here a three-parameter corresponding states model is presented in which a cohesive third parameter α is proposed following a perturbation expansion and assuming a mean-field limit. It is shown that in this approximation the free energy of any two Mie systems sharing the same value of α will be the same. The parameter α is an explicit function of the repulsive and attractive exponents and consequently dictates the form of the intermolecular pair potential. Molecular dynamics simulations of a variety of Mie systems over a range of values of α are carried out and the solid-liquid, liquid-vapour and vapour-solid phase boundaries for the systems considered are presented. Using the simulation data, we confirm that systems of the same α exhibit conformal phase behaviour for the fluid-phase properties as well as for the solid-fluid boundary, although larger differences are noted in the solid region; these can be related to the approximations in the definition of the parameter. Furthermore, it is found that the temperature range over which the vapour-liquid envelope of a given Mie system is stable follows a linear dependency with α when expressed as the ratio of the critical-point temperature to the triple-point temperature. The limit where potentials of the Mie family will not present a stable fluid envelope is predicted in terms of the parameter α and the result is found to be in excellent agreement with previous studies. This unique relation between the fluid range and the cohesive parameter α is shown to be useful to limit the pairs of Mie exponents that can be used in coarse-grained potentials to treat real systems in order to obtain temperature ranges of stability for the fluid envelope consistent with experiment.
Relationships between morphology and physiology of pyramid-pyramid single axon connections in rat neocortex in vitro.

PubMed Central

Deuchars, J; West, D C; Thomson, A M

1994-01-01

1. Double intracellular recordings were made from 1163 pairs of pyramidal neurones in layer V-VI of the rat somatomotor cortex in vitro using sharp electrodes filled with biocytin. Monosynaptically connected pairs of cells were identified when an action potential in one could elicit a constant latency excitatory postsynaptic potential (EPSP) in the other and the cells were filled with biocytin. Labelled cells were subsequently identified histologically with avidin-horseradish peroxidase. 2. Thirty-four pairs of cells were found to be monosynaptically connected. Fifteen of these pairs were sufficiently stable for electrophysiological recordings and three of these were recovered sufficiently to permit full morphological reconstruction. 3. The EPSP recorded between the first pair of pyramids varied in amplitude between 0 and 3 mV (mean 1.33 +/- 1.06 mV) and fluctuated considerably (coefficient of variation, 0.796). This was largely due to a high incidence of apparent failures of transmission. On reconstruction two boutons from the presynaptic pyramid axon were in close apposition to the proximal portions of basal dendrites of the postsynaptic cell. 4. In the second pair of pyramids the EPSP had a mean amplitude of 1.06 mV, and displayed a 10-90% rise time of 2.8 ms and a width at half-amplitude of 23 ms. This EPSP did not alter significantly with changes in membrane potential at the soma. The presynaptic axon closely apposed the distal apical dendrite of the postsynaptic cell in eight places. 5. In the third pair of pyramids, the EPSPs, recorded at a relatively depolarized membrane potential, were long lasting and could elicit slow dendritic spikes with long and variable latencies. These slow spikes suggested that the postsynaptic recording site was dendritic and on reconstruction a possible location was identified on the apical dendrite. A total of five presynaptic boutons closely apposed three separate, proximal branches of the postsynaptic apical dendrite. 6. These results provide the first illustration of a morphological basis for variations in functional properties of pyramid-pyramid connections in the neocortex. Images Figure 1 Figure 3 Figure 5 PMID:7965856
Huperzine A prophylaxis against pentylenetetrazole-induced seizures in rats is associated with increased cortical inhibition.

PubMed

Gersner, R; Ekstein, D; Dhamne, S C; Schachter, S C; Rotenberg, A

2015-11-01

Huperzine A (HupA) is a naturally occurring compound found in the firmoss Huperzia serrata. While HupA is a potent acetylcholinesterase inhibitor, its full pharmacologic profile is incompletely described. Since previous works suggested a capacity for HupA to prophylax against seizures, we tested the HupA antiepileptic potential in pentylenetetrazole (PTZ) rat epilepsy model and explored its mechanism of action by spectral EEG analysis and by paired-pulse transcranial magnetic stimulation (ppTMS), a measure of GABA-mediated intracortical inhibition. We tested whether HupA suppresses seizures in the rat PTZ acute seizure model, and quantified latency to first myoclonus and to generalized tonic-clonic seizure, and spike frequency on EEG. Additionally, we measured power in the EEG gamma frequency band which is associated with GABAergic cortical interneuron activation. Then, as a step toward further examining the HupA antiepileptic mechanism of action, we tested long-interval intracortical inhibition (LICI) using ppTMS coupled with electromyography to assess whether HupA augments GABA-mediated paired-pulse inhibition of the motor evoked potential. We also tested whether the HupA effect on paired-pulse inhibition was central or peripheral by comparison of outcomes following administration of HupA or the peripheral acetylcholinesterase inhibitor pyridostigmine. We also tested whether the HupA effect was dependent on central muscarinic or GABAA receptors by co-administration of HupA and atropine or PTZ, respectively. In tests of antiepileptic potential, HupA suppressed seizures and epileptic spikes on EEG. Spectral EEG analysis also revealed enhanced gamma frequency band power with HupA treatment. By ppTMS we found that HupA increases intracortical inhibition and blocks PTZ-induced cortical excitation. Atropine co-administration with HupA did not alter HupA-induced intracortical inhibition suggesting independent of muscarinic acetylcholine receptors mechanism in this model. Last, pyridostigmine did not affect the ppTMS-measured cortical inhibition suggesting that HupA-induced effect is centrally-mediated. Our data support antiepileptic HupA applications, and suggest that such activity may be via enhancement of GABAergic intracortical inhibition. Copyright © 2015 Elsevier B.V. All rights reserved.
Effects of Response-Contingent Stimulus Pairing on Vocalizations of Nonverbal Children with Autism

ERIC Educational Resources Information Center

Lepper, Tracy L.; Petursdottir, Anna Ingeborg

2017-01-01

Research on stimulus-stimulus pairing to induce novel vocalizations in nonverbal children has typically employed response-independent pairing (RIP) procedures to condition speech sounds as reinforcers. The purpose of the present study was to evaluate the effects of a response-contingent pairing (RCP) procedure on the vocalizations of three…
Link!: Potential Field Guidance Algorithm for In-Flight Linking of Multi-Rotor Aircraft

NASA Technical Reports Server (NTRS)

Cooper, John R.; Rothhaar, Paul M.

2017-01-01

Link! is a multi-center NASA e ort to study the feasibility of multi-aircraft aerial docking systems. In these systems, a group of vehicles physically link to each other during flight to form a larger ensemble vehicle with increased aerodynamic performance and mission utility. This paper presents a potential field guidance algorithm for a group of multi-rotor vehicles to link to each other during flight. The linking is done in pairs. Each vehicle first selects a mate. Then the potential field is constructed with three rules: move towards the mate, avoid collisions with non-mates, and stay close to the rest of the group. Once a pair links, they are then considered to be a single vehicle. After each pair is linked, the process repeats until there is only one vehicle left. The paper contains simulation results for a system of 16 vehicles.
Determination of redox potentials for the Watson-Crick base pairs, DNA nucleosides, and relevant nucleoside analogues.

PubMed

Crespo-Hernandez, Carlos E; Close, David M; Gorb, Leonid; Leszczynski, Jerzy

2007-05-17

Redox potentials for the DNA nucleobases and nucleosides, various relevant nucleoside analogues, Watson-Crick base pairs, and seven organic dyes are presented based on DFT/B3LYP/6-31++G(d,p) and B3YLP/6-311+G(2df,p)//B3LYP/6-31+G* levels of calculations. The values are determined from an experimentally calibrated set of equations that correlate the vertical ionization (electron affinity) energy of 20 organic molecules with their experimental reversible oxidation (reduction) potential. Our results are in good agreement with those estimated experimentally for the DNA nucleosides in acetonitrile solutions (Seidel et al. J. Phys. Chem. 1996, 100, 5541). We have found that nucleosides with anti conformation exhibit lower oxidation potentials than the corresponding syn conformers. The lowering in the oxidation potential is due to the formation of an intramolecular hydrogen bonding interaction between the 5'-OH group of the sugar and the N3 of the purine bases or C2=O of the pyrimidine bases in the syn conformation. Pairing of adenine or guanine with its complementary pyrimidine base decreases its oxidation potential by 0.15 or 0.28 V, respectively. The calculated energy difference between the oxidation potential for the G.C base pair and that of the guanine base is in good agreement with the experimental value estimated recently (0.34 V: Caruso, T.; et al. J. Am. Chem. Soc. 2005, 127, 15040). The complete and consistent set of reversible redox values determined in this work for the DNA constituents is expected to be of considerable value to those studying charge and electronic energy transfer in DNA.
Large-scale extraction of accurate drug-disease treatment pairs from biomedical literature for drug repurposing

PubMed Central

2013-01-01

Background A large-scale, highly accurate, machine-understandable drug-disease treatment relationship knowledge base is important for computational approaches to drug repurposing. The large body of published biomedical research articles and clinical case reports available on MEDLINE is a rich source of FDA-approved drug-disease indication as well as drug-repurposing knowledge that is crucial for applying FDA-approved drugs for new diseases. However, much of this information is buried in free text and not captured in any existing databases. The goal of this study is to extract a large number of accurate drug-disease treatment pairs from published literature. Results In this study, we developed a simple but highly accurate pattern-learning approach to extract treatment-specific drug-disease pairs from 20 million biomedical abstracts available on MEDLINE. We extracted a total of 34,305 unique drug-disease treatment pairs, the majority of which are not included in existing structured databases. Our algorithm achieved a precision of 0.904 and a recall of 0.131 in extracting all pairs, and a precision of 0.904 and a recall of 0.842 in extracting frequent pairs. In addition, we have shown that the extracted pairs strongly correlate with both drug target genes and therapeutic classes, therefore may have high potential in drug discovery. Conclusions We demonstrated that our simple pattern-learning relationship extraction algorithm is able to accurately extract many drug-disease pairs from the free text of biomedical literature that are not captured in structured databases. The large-scale, accurate, machine-understandable drug-disease treatment knowledge base that is resultant of our study, in combination with pairs from structured databases, will have high potential in computational drug repurposing tasks. PMID:23742147
The benefits of paired-agent imaging in molecular-guided surgery: an update on methods and applications (Conference Presentation)

NASA Astrophysics Data System (ADS)

Tichauer, Kenneth M.

2016-03-01

One of the major complications with conventional imaging-agent-based molecular imaging, particularly for cancer imaging, is variability in agent delivery and nonspecific retention in biological tissue. Such factors can account to "swamp" the signal arising from specifically bound imaging agent, which is presumably indicative of the concentration of targeted biomolecule. In the 1950s, Pressman et al. proposed a method of accounting for these delivery and retention effects by normalizing targeted antibody retention to the retention of a co-administered "untargeted"/control imaging agent [1]. Our group resurrected the approach within the last 5 years, finding ways to utilize this so-called "paired-agent" imaging approach to directly quantify biomolecule concentration in tissue (in vitro, ex vivo, and in vivo) [2]. These novel paired-agent imaging approaches capable of quantifying biomolecule concentration provide enormous potential for being adapted to and optimizing molecular-guided surgery, which has a principle goal of identifying distinct biological tissues (tumor, nerves, etc…) based on their distinct molecular environment. This presentation will cover the principles and nuances of paired-agent imaging, as well as the current status of the field and future applications. [1] D. Pressman, E. D. Day, and M. Blau, "The use of paired labeling in the determination of tumor-localizing antibodies," Cancer Res, 17(9), 845-50 (1957). [2] K. M. Tichauer, Y. Wang, B. W. Pogue et al., "Quantitative in vivo cell-surface receptor imaging in oncology: kinetic modeling and paired-agent principles from nuclear medicine and optical imaging," Phys Med Biol, 60(14), R239-69 (2015).
Pairing Voluntary Movement and Muscle-Located Electrical Stimulation Increases Cortical Excitability

PubMed Central

Jochumsen, Mads; Niazi, Imran K.; Signal, Nada; Nedergaard, Rasmus W.; Holt, Kelly; Haavik, Heidi; Taylor, Denise

2016-01-01

Learning new motor skills has been correlated with increased cortical excitability. In this study, different location of electrical stimulation (ES), nerve, or muscle, was paired with voluntary movement to investigate if ES paired with voluntary movement (a) would increase the excitability of cortical projections to tibialis anterior and (b) if stimulation location mattered. Cortical excitability changes were quantified using motor evoked potentials (MEPs) elicited by transcranial magnetic stimulation (TMS) at varying intensities during four conditions. Twelve healthy subjects performed 50 dorsiflexions at the ankle during nerve or muscle ES at motor threshold (MTh). ES alone was delivered 50 times and the movement was performed 50 times. A significant increase in the excitability from pre- to post-intervention (P = 0.0061) and pre- to 30 min post-intervention (P = 0.017) measurements was observed when voluntary movement was paired with muscle ES located at tibialis anterior. An increase of 50 ± 57 and 28 ± 54% in the maximum MEPs was obtained for voluntary movement paired with muscle-located and nerve-located ES, respectively. The maximum MEPs for voluntary movement alone and muscle-located ES alone were −5 ± 28 and 2 ± 42%, respectively. Pairing voluntary movement with muscle-located ES increases excitability of corticospinal projections of tibialis anterior in healthy participants. This finding suggests that active participation during muscle-located ES protocols increases cortical excitability to a greater extent than stimulation alone. The next stage of this research is to investigate the effect in people with stroke. The results may have implications for motor recovery in patients with motor impairments following neurological injury. PMID:27733823
Predicting cerulean warbler habitat use in the Cumberland Mountains of Tennessee

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

Buehler, D.A.; Welton, M.J.; Beachy, T.A.

2006-12-15

We developed a habitat model to predict cerulean warbler (Dendroica cerulea) habitat availability in the Cumberland Mountains of eastern Tennessee. We used 7 remotely sensed vegetation and topographic landform explanatory variables and known locations of territorial male cerulean warblers mapped in 2003 as the response variable to develop a Mahalanobis distance statistic model of potential habitat. We evaluated the accuracy of the model based on field surveys for ceruleans during the 2004 breeding season. The model performed well with an 80% correct classification of cerulean presence based on the validation data, although prediction of absence was only 54% correct. Wemore » extrapolated from potential habitat to cerulean abundance based on density estimates from territory mapping on 8 20-ha plots in 2005. Over the 200,000-ha study area, we estimated there were 80,584 ha of potential habitat, capable of supporting about 36,500 breeding pairs. We applied the model to the 21,609-ha state-owned Royal Blue Wildlife Management Area to evaluate the potential effects of coal surface mining as one example of a potential conflict between land use and cerulean warbler conservation. Our models suggest coal surface mining could remove 2,954 ha of cerulean habitat on Royal Blue Wildlife Management Area and could displace 2,540 breeding pairs (23% of the Royal Blue population). A comprehensive conservation strategy is needed to address potential and realized habitat loss and degradation on the breeding grounds, during migration, and on the wintering grounds.« less
Optimal Electrode Selection for Electrical Resistance Tomography in Carbon Fiber Reinforced Polymer Composites

PubMed Central

Escalona Galvis, Luis Waldo; Diaz-Montiel, Paulina; Venkataraman, Satchi

2017-01-01

Electrical Resistance Tomography (ERT) offers a non-destructive evaluation (NDE) technique that takes advantage of the inherent electrical properties in carbon fiber reinforced polymer (CFRP) composites for internal damage characterization. This paper investigates a method of optimum selection of sensing configurations for delamination detection in thick cross-ply laminates using ERT. Reduction in the number of sensing locations and measurements is necessary to minimize hardware and computational effort. The present work explores the use of an effective independence (EI) measure originally proposed for sensor location optimization in experimental vibration modal analysis. The EI measure is used for selecting the minimum set of resistance measurements among all possible combinations resulting from selecting sensing electrode pairs. Singular Value Decomposition (SVD) is applied to obtain a spectral representation of the resistance measurements in the laminate for subsequent EI based reduction to take place. The electrical potential field in a CFRP laminate is calculated using finite element analysis (FEA) applied on models for two different laminate layouts considering a set of specified delamination sizes and locations with two different sensing arrangements. The effectiveness of the EI measure in eliminating redundant electrode pairs is demonstrated by performing inverse identification of damage using the full set and the reduced set of resistance measurements. This investigation shows that the EI measure is effective for optimally selecting the electrode pairs needed for resistance measurements in ERT based damage detection. PMID:28772485

Optimal Electrode Selection for Electrical Resistance Tomography in Carbon Fiber Reinforced Polymer Composites.

PubMed

Escalona Galvis, Luis Waldo; Diaz-Montiel, Paulina; Venkataraman, Satchi

2017-02-04

Electrical Resistance Tomography (ERT) offers a non-destructive evaluation (NDE) technique that takes advantage of the inherent electrical properties in carbon fiber reinforced polymer (CFRP) composites for internal damage characterization. This paper investigates a method of optimum selection of sensing configurations for delamination detection in thick cross-ply laminates using ERT. Reduction in the number of sensing locations and measurements is necessary to minimize hardware and computational effort. The present work explores the use of an effective independence (EI) measure originally proposed for sensor location optimization in experimental vibration modal analysis. The EI measure is used for selecting the minimum set of resistance measurements among all possible combinations resulting from selecting sensing electrode pairs. Singular Value Decomposition (SVD) is applied to obtain a spectral representation of the resistance measurements in the laminate for subsequent EI based reduction to take place. The electrical potential field in a CFRP laminate is calculated using finite element analysis (FEA) applied on models for two different laminate layouts considering a set of specified delamination sizes and locations with two different sensing arrangements. The effectiveness of the EI measure in eliminating redundant electrode pairs is demonstrated by performing inverse identification of damage using the full set and the reduced set of resistance measurements. This investigation shows that the EI measure is effective for optimally selecting the electrode pairs needed for resistance measurements in ERT based damage detection.
Cannabidiol reverses the reduction in social interaction produced by low dose Delta(9)-tetrahydrocannabinol in rats.

PubMed

Malone, Daniel Thomas; Jongejan, Dennis; Taylor, David Alan

2009-08-01

While Delta(9)-tetrahydrocannabinol (THC) is the main psychoactive constituent of the cannabis plant, a non-psychoactive constituent is cannabidiol (CBD). CBD has been implicated as a potential treatment of a number of disorders including schizophrenia and epilepsy and has been included with THC in a 1:1 combination for the treatment of conditions such as neuropathic pain. This study investigated the effect of THC and CBD, alone or in combination, on some objective behaviours of rats in the open field. Pairs of rats were injected with CBD or vehicle followed by THC or vehicle and behaviour in the open field was assessed for 10 min. In vehicle pretreated rats THC (1 mg/kg) significantly reduced social interaction between rat pairs. Treatment with CBD had no significant effect alone, but pretreatment with CBD (20 mg/kg) reversed the THC-induced decreases in social interaction. A higher dose of THC (10 mg/kg) produced no significant effect on social interaction. However, the combination of high dose CBD and high dose THC significantly reduced social interaction between rat pairs, as well as producing a significant decrease in locomotor activity. This data suggests that CBD can reverse social withdrawal induced by low dose THC, but the combination of high dose THC and CBD impairs social interaction, possibly by decreasing locomotor activity.
Quasi-stationary states and fermion pair creation from a vacuum in supercritical Coulomb field

NASA Astrophysics Data System (ADS)

Khalilov, V. R.

2017-12-01

Creation of charged fermion pair from a vacuum in so-called supercritical Coulomb potential is examined for the case when fermions can move only in the same (one) plane. In which case, quantum dynamics of charged massive or massless fermions can be described by the two-dimensional Dirac Hamiltonians with an usual (-a/r) Coulomb potential. These Hamiltonians are singular and require the additional definition in order for them to be treated as self-adjoint quantum-mechanical operators. We construct the self-adjoint two-dimensional Dirac Hamiltonians with a Coulomb potential and determine the quantum-mechanical states for such Hamiltonians in the corresponding Hilbert spaces of square-integrable functions. We determine the scattering amplitude in which the self-adjoint extension parameter is incorporated and then obtain equations implicitly defining possible discrete energy spectra of the self-adjoint Dirac Hamiltonians with a Coulomb potential. It is shown that this quantum system becomes unstable in the presence of a supercritical Coulomb potential which manifests in the appearance of quasi-stationary states in the lower (negative) energy continuum. The energy spectrum of those states is quasi-discrete, consists of broadened levels with widths related to the inverse lifetimes of the quasi-stationary states as well as the probability of creation of charged fermion pair by a supercritical Coulomb field. Explicit analytical expressions for the creation probabilities of charged (massive or massless) fermion pair are obtained in a supercritical Coulomb field.
Does public reporting influence antibiotic and injection prescribing to all patients? A cluster-randomized matched-pair trial in china.

PubMed

Liu, Chenxi; Zhang, Xinping; Wang, Xuan; Zhang, Xiaopeng; Wan, Jie; Zhong, Fangying

2016-06-01

The inappropriate use and overuse of antibiotics and injections are serious threats to global population, and the public reporting of health care performance (PRHCP) has been an important instrument for improving the quality of care. However, existing evidence shows a mixed effect of PRHCP. This study is to explore the potential effectiveness of PRHCP that contributes to the convincing evidence of health policy and reform.This study was undertaken in Qian Jiang City, applying a matched-pair cluster-randomized trial. Twenty primary care institutions were treated as clusters and were matched into 10 pairs. Clusters in each pair were randomly assigned into a control or an intervention group. Physicians' prescribing information was publicly reported to patients and physicians monthly in the intervention group from October 2013. A total of 748,632 outpatient prescriptions were included for difference-in-difference (DID) regression model and subgroups (SGs) analysis.Overall, PRHCP intervention led to a slight reduction in the use of combined antibiotics (odds ratio [OR] = 0.870, P < 0.001) and slowed the average expenditure increase of patients (coefficient = -0.051, P < 0.001). SG analysis showed the effect of PRHCP varied among patients with different characteristics. PRHCP decreased the probability of prescriptions requiring antibiotics, combined antibiotics, and injections of patients aged 18 to 64 years old (OR < 1), and all results were statistically significant. By contrast, the results of elderly and minor patients with health insurance showed that PRHCP increased their probability of prescriptions requiring antibiotics and injections. PRHCP slowed the increase of average expenditure of most SGs.PRHCP intervention can influence the prescribing pattern of physicians. Patient factors such as age and health insurance influence the effect of PRHCP intervention, which imply that PRHCP should be designed for different patients. Patient education, aiming at radically changing attitudes toward antibiotics and injections, should be taken to promote the effectiveness of public reporting in China.
Re-examining the tetraphenyl-arsonium/tetraphenyl-borate (TATB) hypothesis for single-ion solvation free energies

NASA Astrophysics Data System (ADS)

Pollard, Travis P.; Beck, Thomas L.

2018-06-01

Attempts to establish an absolute single-ion hydration free energy scale have followed multiple strategies. Two central themes consist of (1) employing bulk pair thermodynamic data and an underlying interfacial-potential-free model to partition the hydration free energy into individual contributions [Marcus, Latimer, and tetraphenyl-arsonium/tetraphenyl-borate (TATB) methods] or (2) utilizing bulk thermodynamic and cluster data to estimate the free energy to insert a proton into water, including in principle an interfacial potential contribution [the cluster pair approximation (CPA)]. While the results for the hydration free energy of the proton agree remarkably well between the three approaches in the first category, the value differs from the CPA result by roughly +10 kcal/mol, implying a value for the effective electrochemical surface potential of water of -0.4 V. This paper provides a computational re-analysis of the TATB method for single-ion free energies using quasichemical theory. A previous study indicated a significant discrepancy between the free energies of hydration for the TA cation and the TB anion. We show that the main contribution to this large computed difference is an electrostatic artifact arising from modeling interactions in periodic boundaries. No attempt is made here to develop more accurate models for the local ion/solvent interactions that may lead to further small free energy differences between the TA and TB ions, but the results clarify the primary importance of interfacial potential effects for analysis of the various free energy scales. Results are also presented, related to the TATB assumption in the organic solvents dimethyl sulfoxide and 1,2-dichloroethane.
A paired comparison between glioblastoma "stem cells" and differentiated cells.

PubMed

Schneider, Matthias; Ströbele, Stephanie; Nonnenmacher, Lisa; Siegelin, Markus D; Tepper, Melanie; Stroh, Sebastien; Hasslacher, Sebastian; Enzenmüller, Stefanie; Strauss, Gudrun; Baumann, Bernd; Karpel-Massler, Georg; Westhoff, Mike-Andrew; Debatin, Klaus-Michael; Halatsch, Marc-Eric

2016-04-01

Cancer stem cells (CSC) have been postulated to be responsible for the key features of a malignancy and its maintenances, as well as therapy resistance, while differentiated cells are believed to make up the rapidly growing tumour bulk. It is therefore important to understand the characteristics of those two distinct cell populations in order to devise treatment strategies which effectively target both cohorts, in particular with respect to cancers, such as glioblastoma. Glioblastoma is the most common primary brain tumour in adults, with a mean patient survival of 12-15 months. Importantly, therapeutic improvements have not been forthcoming in the last decade. In this study we compare key features of three pairs of glioblastoma cell populations, each pair consisting of stem cell-like and differentiated cells derived from an individual patient. Our data suggest that while growth rates and expression of key survival- and apoptosis-mediating proteins are more similar according to differentiation status than genetic similarity, we found no intrinsic differences in response to standard therapeutic interventions, namely exposure to radiation or the alkylating agent temozolomide. Interestingly, we could demonstrate that both stem cell-like and differentiated cells possess the ability to form stem cell-containing tumours in immunocompromised mice and that differentiated cells could potentially be dedifferentiated to potential stem cells. Taken together our data suggest that the differences between tumour stem cell and differentiated cell are particular fluent in glioblastoma. © 2015 UICC.
Neuropeptides and the social brain: potential rodent models of autism.

PubMed

Lim, Miranda M; Bielsky, Isadora F; Young, Larry J

2005-01-01

Conducting basic scientific research on a complex psychiatric disorder, such as autism, is a challenging prospect. It is difficult to dissociate the fundamental neurological and psychological processes that are disturbed in autism and, therefore, it is a challenge to discover accurate and reliable animal models of the disease. Because of their role in animal models of social processing and social bonding, the neuropeptides oxytocin and vasopressin are strong candidates for dysregulation in autism. In this review, we discuss the current animal models which have investigated oxytocin and vasopressin systems in the brain and their effects on social behavior. For example, mice lacking the oxytocin gene have profound deficits in social processing and social recognition, as do rats lacking vasopressin or mice lacking the vasopressin V1a receptor (V1aR). In another rodent model, monogamous prairie voles are highly social and form strong pair bonds with their mates. Pair bonds can be facilitated or disrupted by perturbing the oxytocin and vasopressin systems. Non-monogamous vole species that do not pair bond have different oxytocin and V1aR distribution patterns in the brain than monogamous vole species. Potential ties from these rodent models to the human autistic condition are then discussed. Given the hallmark disturbances in social function, the study of animal models of social behavior may provide novel therapeutic targets for the treatment of autism.
Wood Storks of the Birdsville Colony and swamps of the Savannah River Site: General overview of research findings, 1983--1990

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

Coulter, M.C.

1993-02-01

The population of Wood Storks (Mycteria americana) that breeds in the United States has decreased from an estimated 20,000 breeding pairs in 1930 to just under 5,000 pairs in 1980. Since 1980, the number has remained relatively stable, fluctuating between 3,500 and 5,500 breeding pairs. The decline prompted the US Fish and Wildlife Service (USFWS) to list the United States population of Wood Storks as endangered in 1984. When the US Department of Energy (USDOE) decided to restart L-Reactor on the Savannah River Site (SRS), there was concern that when the reactor was restarted, cooling water flowing into the Steelmore » Creek Delta would raise the water level and the area would become too deep for foraging storks. The potential loss of this area to storks was important because storks had been observed foraging in the Steel Creek Delta. The USDOE began consultation with the USFWS in April, 1984, and the USDOE subsequently agreed to develop and maintain alternative foraging habitat to replace the potential loss. In order to design and manage the alternate foraging ponds as effectively as possible, it was necessary to understand aspects of the biology of the storks, the characteristics of their foraging sites and the patterns of their use of the SRSS. Results are described.« less
Base drive circuit

DOEpatents

Lange, A.C.

1995-04-04

An improved base drive circuit having a level shifter for providing bistable input signals to a pair of non-linear delays. The non-linear delays provide gate control to a corresponding pair of field effect transistors through a corresponding pair of buffer components. The non-linear delays provide delayed turn-on for each of the field effect transistors while an associated pair of transistors shunt the non-linear delays during turn-off of the associated field effect transistor. 2 figures.
Disruption of thyroxine and sex hormones by 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane (DBE-DBCH) in American kestrels (Falco sparverius) and associations with reproductive and behavioral changes.

PubMed

Marteinson, Sarah C; Palace, Vince; Letcher, Robert J; Fernie, Kim J

2017-04-01

1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane (DBE-DBCH - formerly TBECH) is an emerging brominated flame retardant (BFR) pollutant with androgen potentiating ability and other endocrine disrupting effects in birds and fish. The objectives of this study were to determine the effects of exposure to environmentally-relevant levels of DBE-DBCH on circulating levels of thyroid and sex steroid hormones in American kestrels, and if hormonal concentrations were related to previously reported changes in reproductive success and courtship behaviors. Sixteen kestrel pairs were exposed to 0.239ng β-DBE-DBCH/g kestrel/day by diet, based on concentrations in wild bird eggs, from 4 weeks before pairing until the chicks hatched (mean 82 d), and were compared with vehicle-only-exposed control pairs (n=15). As previously reported, DBE-DBCH concentrations were not detected in tissue or eggs of these birds, nor were any potential metabolites, despite the low method limits of detection (≤0.4ng/g wet weight), suggesting it may be rapidly metabolized and/or eliminated by the kestrels. Nevertheless, exposed kestrels demonstrated changes in reproduction and behavior, indicating an effect from exposure. During early breeding, males were sampled at multiple time points at pairing and during courtship and incubation; females were blood sampled at pairing only; both sexes were sampled at the end of the season. All comparisons are made to control males or control females, and the relative differences in hormone concentrations between treatment and control birds, calculated separately for each sex, are presented for each time point. Males exposed to β-DBE-DBCH demonstrated significantly (p=0.05) lower concentrations of total thyroxine (TT 4 ) overall, that were 11-28% lower than those of control males at the individual sampling points, yet significantly higher (p=0.03) concentrations of free thyroxine (FT 4 ), that were 5-13% higher than those of control males at the individual sampling points; females had similar concentrations of TT 4 and FT 4 at the time of pairing, and T 4 was similar in both sexes at the end of the breeding season. Testosterone (T) concentrations in the treatment males were significantly higher during early (85%) and mid-courtship (30%) (time*treatment p=0.001), whereas females demonstrated a reduction in T at the time of pairing (17%, p=0.05). In the treatment females, concentrations of 17β-estradiol (E 2 ) showed a non-significant decrease (20%) and were positively correlated with T concentrations (p=0.03); E 2 concentrations were below quantification limits in males. For males, some variation in T was also significantly associated with their sexual behavior (p<0.001) and FT 4 concentrations (p=0.01). For females, there was no relationship between hormones measured at pairing and subsequent sexual behaviors or reproductive measures. This study demonstrates that exposure to β-DBE-DBCH at levels that are likely below those experienced by wild birds, affects the thyroid and sex steroid axes in birds and thus may be a contaminant of concern for wildlife warranting further research. Crown Copyright © 2017. Published by Elsevier Inc. All rights reserved.
Pionic retardation effects in two-pion-exchange three-nucleon forces

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

Coon, S.A.; Friar, J.L.

1986-09-01

Those two-pion-exchange three-nucleon forces which arise from nuclear processes that involve only pions and nucleons are calculated. Among the processes which contribute are pion seagulls (e.g., nucleon-antinucleon pair terms) and overlapping, retarded pion exchanges. The resulting potential is shown to be a (v-italic/c-italic)/sup 2/ relativistic correction, and satisfies nontrivial constraints from special relativity. The relativistic ambiguities found before in treatments of relativistic corrections to the one-pion-exchange nuclear charge operator and two-body potential are also present in the three-nucleon potential. The resulting three-nucleon force differs from the original Tucson-Melbourne potential only in the presence of several new nonlocal terms, and inmore » the specification of the choice of ambiguity parameters in the latter potential.« less
Molecular electrostatic potential and "atoms-in-molecules" analyses of the interplay between π-hole and lone pair···π/X-H···π/metal···π interactions.

PubMed

Bauzá, Antonio; Seth, Saikat Kumar; Frontera, Antonio

2018-04-05

Using ab initio calculations, we analyze the interplay between π-hole interactions involving the nitro group of 1,4-dinitrobenzene and lone pair···π (lp···π), C-H···π or metal(M)···π noncovalent interactions. Moreover, we have also used 1,4-phenylenebis(phosphine dioxide) for comparison purposes. Interesting cooperativity effects are found when π-hole (F···N,P) and lp···π/C-H···π/M···π interactions coexist in the same supramolecular assembly. These effects are studied theoretically in terms of energetic and geometric features of the complexes, which are computed by ab initio methods (RI-MP2/def2-TZVP). A charge density analysis using the Bader's theory of "atoms in molecules" is carried out to characterize the interactions and to analyze their strengthening or weakening depending on the variation of charge density at critical points. The importance of electrostatic effects on the mutual influence of the interaction is studied by means of molecular electrostatic potential calculations. By taking advantage of these computational tools, the present study examines interplay of these interactions. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Dual targeting of therapeutics to endothelial cells: collaborative enhancement of delivery and effect.

PubMed

Greineder, Colin F; Brenza, Jacob B; Carnemolla, Ronald; Zaitsev, Sergei; Hood, Elizabeth D; Pan, Daniel C; Ding, Bi-Sen; Esmon, Charles T; Chacko, Ann Marie; Muzykantov, Vladimir R

2015-08-01

Anchoring pharmacologic agents to the vascular lumen has the potential to modulate critical processes at the blood-tissue interface, avoiding many of the off-target effects of systemically circulating agents. We report a novel strategy for endothelial dual targeting of therapeutics, which both enhances drug delivery and enables targeted agents to partner enzymatically to generate enhanced biologic effect. Based on the recent discovery that paired antibodies directed to adjacent epitopes of platelet endothelial cell adhesion molecule (PECAM)-1 stimulate each other's binding, we fused single-chain fragments (scFv) of paired anti-mouse PECAM-1 antibodies to recombinant murine thrombomodulin (TM) and endothelial protein C receptor (EPCR), endothelial membrane proteins that partner in activation of protein C (PC). scFv/TM and scFv/EPCR bound to mouse endothelial PECAM-1 with high affinity (EC50 1.5 and 3.8 nM, respectively), and codelivery induced a 5-fold increase in PC activation not seen when TM and EPCR are anchored to distinct cell adhesion molecules. In a mouse model of acute lung injury, dual targeting reduces both the expression of lung inflammatory markers and trans-endothelial protein leak by as much as 40%, as compared to either agent alone. These findings provide proof of principle for endothelial dual targeting, an approach with numerous potential biomedical applications. © FASEB.
Involvement of the Lateral Orbitofrontal Cortex in Drug Context-induced Reinstatement of Cocaine-seeking Behavior in Rats

PubMed Central

Lasseter, Heather C.; Ramirez, Donna R.; Xie, Xiaohu; Fuchs, Rita A.

2009-01-01

Orbitofrontal cortex (OFC) damage produces impaired decision-making, impulsivity, and perseveration and potentially contributes to compulsive drug seeking in cocaine users. To further explore this phenomenon, we assessed the role of the lateral OFC (lOFC) in drug context-induced cocaine-seeking behavior in the reinstatement model of drug relapse. Rats were trained to lever press for intravenous cocaine infusions in a distinct environmental context (cocaine-paired context) followed by extinction training in a different context (extinction-paired context). Reinstatement of cocaine seeking (non-reinforced lever presses) was assessed in the cocaine context in the absence of response-contingent stimuli. In experiment 1, we evaluated whether acute inhibition of lOFC output alters context-induced cocaine-seeking behavior by infusing the GABAB+A agonists, baclofen+muscimol, or vehicle into the lOFC immediately before exposure to the cocaine-paired context. In experiments 2–3, we assessed how prolonged loss of lOFC output affects drug context-induced cocaine seeking by administering bilateral NMDA or sham lesions of the lOFC either before or after self-administration and extinction training. Remarkably, OFC functional inactivation attenuated, post-training lesions failed to alter, and pre-training lesions potentiated drug context-induced cocaine seeking without altering responding in the extinction context. These results suggest that neural activity in the lOFC promotes context-induced cocaine-seeking behavior. However, prolonged loss of lOFC output enhances the motivational salience of cocaine-paired contextual stimuli likely by eliciting compensatory neuroadaptations, with the effects of post-training lOFC lesions reflecting an intermediate state of compensatory neuroplasticity. Overall, these findings support the idea that OFC dysfunction may promote cue reactivity and enhance relapse propensity in cocaine users. PMID:19769591
Stimulus uncertainty enhances long-term potentiation-like plasticity in human motor cortex.

PubMed

Sale, Martin V; Nydam, Abbey S; Mattingley, Jason B

2017-03-01

Plasticity can be induced in human cortex using paired associative stimulation (PAS), which repeatedly and predictably pairs a peripheral electrical stimulus with transcranial magnetic stimulation (TMS) to the contralateral motor region. Many studies have reported small or inconsistent effects of PAS. Given that uncertain stimuli can promote learning, the predictable nature of the stimulation in conventional PAS paradigms might serve to attenuate plasticity induction. Here, we introduced stimulus uncertainty into the PAS paradigm to investigate if it can boost plasticity induction. Across two experimental sessions, participants (n = 28) received a modified PAS paradigm consisting of a random combination of 90 paired stimuli and 90 unpaired (TMS-only) stimuli. Prior to each of these stimuli, participants also received an auditory cue which either reliably predicted whether the upcoming stimulus was paired or unpaired (no uncertainty condition) or did not predict the upcoming stimulus (maximum uncertainty condition). Motor evoked potentials (MEPs) evoked from abductor pollicis brevis (APB) muscle quantified cortical excitability before and after PAS. MEP amplitude increased significantly 15 min following PAS in the maximum uncertainty condition. There was no reliable change in MEP amplitude in the no uncertainty condition, nor between post-PAS MEP amplitudes across the two conditions. These results suggest that stimulus uncertainty may provide a novel means to enhance plasticity induction with the PAS paradigm in human motor cortex. To provide further support to the notion that stimulus uncertainty and prediction error promote plasticity, future studies should further explore the time course of these changes, and investigate what aspects of stimulus uncertainty are critical in boosting plasticity. Copyright © 2016 Elsevier Ltd. All rights reserved.
Modulation of a compressional electromagnetic wave in a magnetized electron-positron quantum plasma.

PubMed

Amin, M R

2015-09-01

Amplitude modulation of a compressional electromagnetic wave in a strongly magnetized electron-positron pair plasma is considered in the quantum magnetohydrodynamic regime. The important ingredients of this study are the inclusion of the external strong magnetic field, Fermi quantum degeneracy pressure, particle exchange potential, quantum diffraction effects via the Bohm potential, and dissipative effect due to collision of the charged carriers. A modified-nonlinear Schödinger equation is developed for the compressional magnetic field of the electromagnetic wave by employing the standard reductive perturbation technique. The linear and nonlinear dispersions of the electromagnetic wave are discussed in detail. For some parameter ranges, relevant to dense astrophysical objects such as the outer layers of white dwarfs, neutron stars, and magnetars, etc., it is found that the compressional electromagnetic wave is modulationally unstable and propagates as a dissipated electromagnetic wave. It is also found that the quantum effects due to the particle exchange potential and the Bohm potential are negligibly small in comparison to the effects of the Fermi quantum degeneracy pressure. The numerical results on the growth rate of the modulation instability is also presented.
Molecular Dynamics Simulation of the Thermophysical Properties of Quantum Liquid Helium Using the Feynman-Hibbs Potential

NASA Astrophysics Data System (ADS)

Liu, J.; Lu, W. Q.

2010-03-01

This paper presents the detailed MD simulation on the properties including the thermal conductivities and viscosities of the quantum fluid helium at different state points. The molecular interactions are represented by the Lennard-Jones pair potentials supplemented by quantum corrections following the Feynman-Hibbs approach and the properties are calculated using the Green-Kubo equations. A comparison is made among the numerical results using LJ and QFH potentials and the existing database and shows that the LJ model is not quantitatively correct for the supercritical liquid helium, thereby the quantum effect must be taken into account when the quantum fluid helium is studied. The comparison of the thermal conductivity is also made as a function of temperatures and pressure and the results show quantum effect correction is an efficient tool to get the thermal conductivities.
On Weyl wormholes supported by massless K-essence

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

Estevez-Delgado, J.; Zannias, T.

We show that Weyl wormholes supported by mass-less K-essence can be generated by a pair of axisymmetric harmonic functions. We study properties of space-times generated by harmonic functions describing the exterior potential of a thin conducting disk held at fixed potential. We find that within this family, only a particular subfamily generates wormholes and the resulting wormholes are necessarily spherical. In general, the topology of the space-times generated by an arbitrary pair is multi sheeted.
Simple Physics-Based Analytical Formulas for the Potentials of Mean Force of the Interaction of Amino Acid Side Chains in Water. VII. Charged-Hydrophobic/Polar and Polar-Hydrophobic/Polar Side Chains.

PubMed

Makowski, Mariusz; Liwo, Adam; Scheraga, Harold A

2017-01-19

The physics-based potentials of side-chain-side-chain interactions corresponding to pairs composed of charged and polar, polar and polar, charged and hydrophobic, and hydrophobic and hydrophobic side chains have been determined. A total of 144 four-dimensional potentials of mean force (PMFs) of all possible pairs of molecules modeling these pairs were determined by umbrella-sampling molecular dynamics simulations in explicit water as functions of distance and orientation, and the analytical expressions were then fitted to the PMFs. Depending on the type of interacting sites, the analytical approximation to the PMF is a sum of terms corresponding to van der Waals interactions and cavity-creation involving the nonpolar sections of the side chains and van der Waals, cavity-creation, and electrostatic (charge-dipole or dipole-dipole) interaction energies and polarization energies involving the charged or polar sections of the side chains. The model used in this work reproduces all features of the interacting pairs. The UNited RESidue force field with the new side-chain-side-chain interaction potentials was preliminarily tested with the N-terminal part of the B-domain of staphylococcal protein A (PDBL 1BDD ; a three-α-helix bundle) and UPF0291 protein YnzC from Bacillus subtilis (PDB: 2HEP ; an α-helical hairpin).
Promoting Motor Cortical Plasticity with Acute Aerobic Exercise: A Role for Cerebellar Circuits

PubMed Central

Mang, Cameron S.; Brown, Katlyn E.; Neva, Jason L.; Snow, Nicholas J.; Campbell, Kristin L.; Boyd, Lara A.

2016-01-01

Acute aerobic exercise facilitated long-term potentiation-like plasticity in the human primary motor cortex (M1). Here, we investigated the effect of acute aerobic exercise on cerebellar circuits, and their potential contribution to altered M1 plasticity in healthy individuals (age: 24.8 ± 4.1 years). In Experiment 1, acute aerobic exercise reduced cerebellar inhibition (CBI) (n = 10, p = 0.01), elicited by dual-coil paired-pulse transcranial magnetic stimulation. In Experiment 2, we evaluated the facilitatory effects of aerobic exercise on responses to paired associative stimulation, delivered with a 25 ms (PAS25) or 21 ms (PAS21) interstimulus interval (n = 16 per group). Increased M1 excitability evoked by PAS25, but not PAS21, relies on trans-cerebellar sensory pathways. The magnitude of the aerobic exercise effect on PAS response was not significantly different between PAS protocols (interaction effect: p = 0.30); however, planned comparisons indicated that, relative to a period of rest, acute aerobic exercise enhanced the excitatory response to PAS25 (p = 0.02), but not PAS21 (p = 0.30). Thus, the results of these planned comparisons indirectly provide modest evidence that modulation of cerebellar circuits may contribute to exercise-induced increases in M1 plasticity. The findings have implications for developing aerobic exercise strategies to “prime” M1 plasticity for enhanced motor skill learning in applied settings. PMID:27127659

Whole exome sequencing to estimate alloreactivity potential between donors and recipients in stem cell transplantation.

PubMed

Sampson, Juliana K; Sheth, Nihar U; Koparde, Vishal N; Scalora, Allison F; Serrano, Myrna G; Lee, Vladimir; Roberts, Catherine H; Jameson-Lee, Max; Ferreira-Gonzalez, Andrea; Manjili, Masoud H; Buck, Gregory A; Neale, Michael C; Toor, Amir A

2014-08-01

Whole exome sequencing (WES) was performed on stem cell transplant donor-recipient (D-R) pairs to determine the extent of potential antigenic variation at a molecular level. In a small cohort of D-R pairs, a high frequency of sequence variation was observed between the donor and recipient exomes independent of human leucocyte antigen (HLA) matching. Nonsynonymous, nonconservative single nucleotide polymorphisms were approximately twice as frequent in HLA-matched unrelated, compared with related D-R pairs. When mapped to individual chromosomes, these polymorphic nucleotides were uniformly distributed across the entire exome. In conclusion, WES reveals extensive nucleotide sequence variation in the exomes of HLA-matched donors and recipients. © 2014 John Wiley & Sons Ltd.
Integrative DNA methylome analysis of pan-cancer biomarkers in cancer discordant monozygotic twin-pairs.

PubMed

Roos, Leonie; van Dongen, Jenny; Bell, Christopher G; Burri, Andrea; Deloukas, Panos; Boomsma, Dorret I; Spector, Tim D; Bell, Jordana T

2016-01-01

A key focus in cancer research is the discovery of biomarkers that accurately diagnose early lesions in non-invasive tissues. Several studies have identified malignancy-associated DNA methylation changes in blood, yet no general cancer biomarker has been identified to date. Here, we explore the potential of blood DNA methylation as a biomarker of pan-cancer (cancer of multiple different origins) in 41 female cancer discordant monozygotic (MZ) twin-pairs sampled before or after diagnosis using the Illumina HumanMethylation450 BeadChip. We analysed epigenome-wide DNA methylation profiles in 41 cancer discordant MZ twin-pairs with affected individuals diagnosed with tumours at different single primary sites: the breast, cervix, colon, endometrium, thyroid gland, skin (melanoma), ovary, and pancreas. No significant global differences in whole blood DNA methylation profiles were observed. Epigenome-wide analyses identified one novel pan-cancer differentially methylated position at false discovery rate (FDR) threshold of 10 % (cg02444695, P = 1.8 × 10(-7)) in an intergenic region 70 kb upstream of the SASH1 tumour suppressor gene, and three suggestive signals in COL11A2, AXL, and LINC00340. Replication of the four top-ranked signals in an independent sample of nine cancer-discordant MZ twin-pairs showed a similar direction of association at COL11A2, AXL, and LINC00340, and significantly greater methylation discordance at AXL compared to 480 healthy concordant MZ twin-pairs. The effects at cg02444695 (near SASH1), COL11A2, and LINC00340 were the most promising in biomarker potential because the DNA methylation differences were found to pre-exist in samples obtained prior to diagnosis and were limited to a 5-year period before diagnosis. Gene expression follow-up at the top-ranked signals in 283 healthy individuals showed correlation between blood methylation and gene expression in lymphoblastoid cell lines at PRL, and in the skin tissue at AXL. A significant enrichment of differential DNA methylation was observed in enhancer regions (P = 0.03). We identified DNA methylation signatures in blood associated with pan-cancer, at or near SASH1, COL11A2, AXL, and LINC00340. Three of these signals were present up to 5 years prior to cancer diagnosis, highlighting the potential clinical utility of whole blood DNA methylation analysis in cancer surveillance.
New optimization scheme to obtain interaction potentials for oxide glasses

NASA Astrophysics Data System (ADS)

Sundararaman, Siddharth; Huang, Liping; Ispas, Simona; Kob, Walter

2018-05-01

We propose a new scheme to parameterize effective potentials that can be used to simulate atomic systems such as oxide glasses. As input data for the optimization, we use the radial distribution functions of the liquid and the vibrational density of state of the glass, both obtained from ab initio simulations, as well as experimental data on the pressure dependence of the density of the glass. For the case of silica, we find that this new scheme facilitates finding pair potentials that are significantly more accurate than the previous ones even if the functional form is the same, thus demonstrating that even simple two-body potentials can be superior to more complex three-body potentials. We have tested the new potential by calculating the pressure dependence of the elastic moduli and found a good agreement with the corresponding experimental data.
A multiple hold-out framework for Sparse Partial Least Squares.

PubMed

Monteiro, João M; Rao, Anil; Shawe-Taylor, John; Mourão-Miranda, Janaina

2016-09-15

Supervised classification machine learning algorithms may have limitations when studying brain diseases with heterogeneous populations, as the labels might be unreliable. More exploratory approaches, such as Sparse Partial Least Squares (SPLS), may provide insights into the brain's mechanisms by finding relationships between neuroimaging and clinical/demographic data. The identification of these relationships has the potential to improve the current understanding of disease mechanisms, refine clinical assessment tools, and stratify patients. SPLS finds multivariate associative effects in the data by computing pairs of sparse weight vectors, where each pair is used to remove its corresponding associative effect from the data by matrix deflation, before computing additional pairs. We propose a novel SPLS framework which selects the adequate number of voxels and clinical variables to describe each associative effect, and tests their reliability by fitting the model to different splits of the data. As a proof of concept, the approach was applied to find associations between grey matter probability maps and individual items of the Mini-Mental State Examination (MMSE) in a clinical sample with various degrees of dementia. The framework found two statistically significant associative effects between subsets of brain voxels and subsets of the questions/tasks. SPLS was compared with its non-sparse version (PLS). The use of projection deflation versus a classical PLS deflation was also tested in both PLS and SPLS. SPLS outperformed PLS, finding statistically significant effects and providing higher correlation values in hold-out data. Moreover, projection deflation provided better results. Copyright © 2016 The Author(s). Published by Elsevier B.V. All rights reserved.
The effect of ion-pair formation combined with penetration enhancers on the skin permeation of loxoprofen.

PubMed

Hui, Mei; Quan, Peng; Yang, Yingying; Fang, Liang

2016-06-01

Loxoprofen (LOXO) is a non-steroidal anti-inflammatory drug. Repeated oral administrations induce gastrointestinal side effects. Patches are a promising alternative. The aim of this study was to investigate the effects of organic amines on the skin permeation of LOXO and finally design a patch with a comparable permeation profile and pharmacodynamic effects to the commercial LOXONA® plaster. The effects of organic amines were assessed by flux values of LOXO from isopropyl myristate (IPM), using horizontal diffusion cell and rabbit skin. FTIR spectroscopy was used to confirm ion-pair formation. Anti-inflammatory and analgesic activity assessments were performed in the adjuvant arthritis rat model and acetic acid-induced writhing syndrome in mouse, separately. Results showed that triethylamine (TEA) was the most potential candidate in IPM, with the highest flux of 499.75 ± 32.40 µg/cm(2)/h. In patch, the highest flux of 369.37 ± 34.32 µg/cm(2)/h was still obtained by LOXO-TEA. Combined with penetration enhancers, the cumulative amounts were further increased in presence of 5% IPM, which exhibited a flux of 840.04 ± 66.38 µg/cm(2)/h as two times of the commercial one. Ultimately, anti-inflammatory and analgesic activity assessment presented that a comparable pharmacodynamic activity with the commercial one could be obtained by the patch we designed. Additionally, we also found that LOXO patch applied topically exerted a systemic effect, and the effect was dose-dependent. It was feasible for LOXO patch design by combination of ion-pair technology and chemical enhancers.
Probe-type of superconductivity by impurity in materials with short coherence length: the s-wave and η-wave phases study

NASA Astrophysics Data System (ADS)

Ptok, Andrzej; Jerzy Kapcia, Konrad

2015-04-01

The effects of a single non-magnetic impurity on superconducting states in the Penson-Kolb-Hubbard model have been analyzed. The investigations have been performed within the Hartree-Fock mean field approximation in two steps: (i) the homogeneous system is analysed using the Bogoliubov transformation, whereas (ii) the inhomogeneous system is investigated by self-consistent Bogoliubov-de Gennes equations (with the exact diagonalization and the kernel polynomial method). We analysed both signs of the pair hopping, which correspond to s-wave and η-wave superconductivity. Our results show that an enhancement of the local superconducting gap at the impurity-site occurs for both cases. We obtained that Cooper pairs are scattered (at the impurity site) into the states which are from the neighborhoods of the states, which are commensurate ones with the crystal lattice. Additionally, in the η-phase there are peaks in the local-energy gap (in momentum space), which are connected with long-range oscillations in the spatial distribution of the energy gap, superconducting order parameter (SOP), as well as effective pairing potential. Our results can be contrasted with the experiment and predicts how to experimentally differentiate these two different symmetries of SOP by the scanning tunneling microscopy technique.
Pairing broadband noise with cortical stimulation induces extensive suppression of ascending sensory activity

NASA Astrophysics Data System (ADS)

Markovitz, Craig D.; Hogan, Patrick S.; Wesen, Kyle A.; Lim, Hubert H.

2015-04-01

Objective. The corticofugal system can alter coding along the ascending sensory pathway. Within the auditory system, electrical stimulation of the auditory cortex (AC) paired with a pure tone can cause egocentric shifts in the tuning of auditory neurons, making them more sensitive to the pure tone frequency. Since tinnitus has been linked with hyperactivity across auditory neurons, we sought to develop a new neuromodulation approach that could suppress a wide range of neurons rather than enhance specific frequency-tuned neurons. Approach. We performed experiments in the guinea pig to assess the effects of cortical stimulation paired with broadband noise (PN-Stim) on ascending auditory activity within the central nucleus of the inferior colliculus (CNIC), a widely studied region for AC stimulation paradigms. Main results. All eight stimulated AC subregions induced extensive suppression of activity across the CNIC that was not possible with noise stimulation alone. This suppression built up over time and remained after the PN-Stim paradigm. Significance. We propose that the corticofugal system is designed to decrease the brain’s input gain to irrelevant stimuli and PN-Stim is able to artificially amplify this effect to suppress neural firing across the auditory system. The PN-Stim concept may have potential for treating tinnitus and other neurological disorders.
Structure of 2,4-Diaminopyrimidine - Theobromine Alternate Base Pairs

NASA Technical Reports Server (NTRS)

Gengeliczki, Zsolt; Callahan, Michael P.; Kabelac, Martin; Rijs, Anouk M.; deVries, Mattanjah S.

2011-01-01

We report the structure of clusters of 2,4-diaminopyrimidine with 3,7-dimethylxanthine (theobromine) in the gas phase determined by IR-UV double resonance spectroscopy in both the near-IR and mid-IR regions in combination with ab initio computations. These clusters represent potential alternate nucleobase pairs, geometrically equivalent to guanine-cytosine. We have found the four lowest energy structures, which include the Watson-Crick base pairing motif. This Watson-Crick structure has not been observed by resonant two-photon ionization (R2PI) in the gas phase for the canonical DNA base pairs.
Pair-correlation function of a metastable helium Bose-Einstein condensate

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

Zin, Pawel; Trippenbach, Marek; Gajda, Mariusz

2004-02-01

The pair-correlation function is one of the basic quantities to characterize the coherence properties of a Bose-Einstein condensate. We calculate this function in the experimentally important case of a zero temperature Bose-Einstein condensate in a metastable triplet helium state using the variational method with a pair-excitation ansatz. We compare our result with a pair-correlation function obtained for the hard-sphere potential with the same scattering length. Both functions are practically indistinguishable for distances greater than the scattering length. At smaller distances, due to interatomic interactions, the helium condensate shows strong correlations.
Electrical Interaction of Paired Ganglion Cells in the Leech

PubMed Central

Eckert, Roger

1963-01-01

The two paired giant ganglion cells (PGC's) found in each ganglion of the leech central nervous system fire synchronously in response to certain sensory input. Polarizing current passed into either of these cells is seen to displace the membrane potentials of both cells, the voltage attenuation between the two somata ranging from 2 to 5 times. This attenuation factor remains unchanged when the direction of the polarizing current is reversed, and remains about the same when the other cell of the pair is directly polarized. When one of the PGC's is partially depolarized with outward current, a repetitive train of impulses is generated. Each spike is followed by a spike in the other cell. Occasionally, a small subspike potential is seen in place of a follower spike. This potential appears to differ in shape and time course from synaptic potentials elicited by afferent input to these cells, and appears rather to be an electrotonic potential derived from the prejunctional impulse in the stimulated PGC. It is proposed that transmission between these cells is electrical, being accomplished by a flow of local circuit current across a non-rectifying junction or connection to the spike-initiating region of the other PGC. PMID:19873553
Does Gender-Fair Language Pay Off? The Social Perception of Professions from a Cross-Linguistic Perspective.

PubMed

Horvath, Lisa K; Merkel, Elisa F; Maass, Anne; Sczesny, Sabine

2015-01-01

In many languages, masculine forms (e.g., German Lehrer, "teachers, masc.") have traditionally been used to refer to both women and men, although feminine forms are available, too. Feminine-masculine word pairs (e.g., German Lehrerinnen und Lehrer, "teachers, fem. and teachers, masc.") are recommended as gender-fair alternatives. A large body of empirical research documents that the use of gender-fair forms instead of masculine forms has a substantial impact on mental representations. Masculine forms activate more male representations even when used in a generic sense, whereas word pairs (e.g., German Lehrerinnen und Lehrer, "teachers, fem. and teachers, masc.") lead to a higher cognitive inclusion of women (i.e., visibility of women). Some recent studies, however, have also shown that in a professional context word pairs may be associated with lesser status. The present research is the first to investigate both effects within a single paradigm. A cross-linguistic (Italian and German) study with 391 participants shows that word pairs help to avoid a male bias in the gender-typing of professions and increase women's visibility; at the same time, they decrease the estimated salaries of typically feminine professions (but do not affect perceived social status or competence). This potential payoff has implications for language policies aiming at gender-fairness.
The nearest neighbor and next nearest neighbor effects on the thermodynamic and kinetic properties of RNA base pair

NASA Astrophysics Data System (ADS)

Wang, Yujie; Wang, Zhen; Wang, Yanli; Liu, Taigang; Zhang, Wenbing

2018-01-01

The thermodynamic and kinetic parameters of an RNA base pair with different nearest and next nearest neighbors were obtained through long-time molecular dynamics simulation of the opening-closing switch process of the base pair near its melting temperature. The results indicate that thermodynamic parameters of GC base pair are dependent on the nearest neighbor base pair, and the next nearest neighbor base pair has little effect, which validated the nearest-neighbor model. The closing and opening rates of the GC base pair also showed nearest neighbor dependences. At certain temperature, the closing and opening rates of the GC pair with nearest neighbor AU is larger than that with the nearest neighbor GC, and the next nearest neighbor plays little role. The free energy landscape of the GC base pair with the nearest neighbor GC is rougher than that with nearest neighbor AU.
The Effects of Age, IQ, and Sentence Mediation Strategy Training on Paired-Associates Learning. Studies in Learning Potential, Volume 3, Number 43.

ERIC Educational Resources Information Center

Stein, Joan Lerner; Budoff, Milton

Compared were performances of 39 educable mentally retarded (EMR) Ss, mean chronological age (CA) 11 1/2 years, mean mental age (MA) 7 3/4 years; 25 fifth graders matched on CA; and 27 second graders matched on MA to determine whether children of different ages and IQ spontaneously demonstrate learning strategies after repeated practice with…
Base-Pairing Energies of Protonated Nucleoside Base Pairs of dCyd and m5dCyd: Implications for the Stability of DNA i-Motif Conformations

NASA Astrophysics Data System (ADS)

Yang, Bo; Rodgers, M. T.

2015-08-01

Hypermethylation of cytosine in expanded (CCG)n•(CGG)n trinucleotide repeats results in Fragile X syndrome, the most common cause of inherited mental retardation. The (CCG)n•(CGG)n repeats adopt i-motif conformations that are preferentially stabilized by base-pairing interactions of protonated base pairs of cytosine. Here we investigate the effects of 5-methylation and the sugar moiety on the base-pairing energies (BPEs) of protonated cytosine base pairs by examining protonated nucleoside base pairs of 2'-deoxycytidine (dCyd) and 5-methyl-2'-deoxycytidine (m5dCyd) using threshold collision-induced dissociation techniques. 5-Methylation of a single or both cytosine residues leads to very small change in the BPE. However, the accumulated effect may be dramatic in diseased state trinucleotide repeats where many methylated base pairs may be present. The BPEs of the protonated nucleoside base pairs examined here significantly exceed those of Watson-Crick dGuo•dCyd and neutral dCyd•dCyd base pairs, such that these base-pairing interactions provide the major forces responsible for stabilization of DNA i-motif conformations. Compared with isolated protonated nucleobase pairs of cytosine and 1-methylcytosine, the 2'-deoxyribose sugar produces an effect similar to the 1-methyl substituent, and leads to a slight decrease in the BPE. These results suggest that the base-pairing interactions may be slightly weaker in nucleic acids, but that the extended backbone is likely to exert a relatively small effect on the total BPE. The proton affinity (PA) of m5dCyd is also determined by competitive analysis of the primary dissociation pathways that occur in parallel for the protonated (m5dCyd)H+(dCyd) nucleoside base pair and the absolute PA of dCyd previously reported.
Caffeinated energy drink intake modulates motor circuits at rest, before and after a movement.

PubMed

Concerto, Carmen; Infortuna, Carmenrita; Chusid, Eileen; Coira, Diego; Babayev, Jacqueline; Metwaly, Rowan; Naenifard, Hesam; Aguglia, Eugenio; Battaglia, Fortunato

2017-10-01

Energy drinks are thought to improve certain aspects of athletic and cognitive performances. Moreover, less is understood about physiological mechanisms that might underlie these effects. The aim of this study was to examine the influence of sugar-free energy drink (SFED) ingestion on corticomotor excitability and plasticity. Fourteen college students consumed a commercially available SFED or a "dummy" drink. By using Transcranial magnetic Stimulation (TMS) we investigated resting motor threshold (RMT), motor evoked potential (MEP) amplitude and cortical silent period (CSP). Paired-pulse stimulation was used to assess short interval intracortical inhibition (SICI) and intracortical facilitation (ICF). Sensorimotor integration was investigated with the short- and long-afferent inhibition paradigms (SAI and LAI). Cortical plasticity was studied with the paired associative stimulation (PAS) paradigm. In addition, we examined the effect of SFED on simple reaction time (RT), pre-movement facilitation and post-exercise facilitation (PEF). SFED consumption decreased ICF, shortened RT, increased pre-movement facilitation and PEF of the motor evoked potentials. These results demonstrate that SFED consumption induced a shorter RT that is paralleled by changes in cortical excitability at rest, prior and after a non-fatiguing muscle contraction. These acute changes in brain function might be of relevance in understanding the mechanisms underlying the enhancement of psychomotor performance. Copyright © 2017 Elsevier Inc. All rights reserved.
Intermittent pair-housing, pair relationship qualities, and HPA activity in adult female rhesus macaques.

PubMed

Hannibal, Darcy L; Cassidy, Lauren C; Vandeleest, Jessica; Semple, Stuart; Barnard, Allison; Chun, Katie; Winkler, Sasha; McCowan, Brenda

2018-05-02

Laboratory rhesus macaques are often housed in pairs and may be temporarily or permanently separated for research, health, or management reasons. While both long-term social separations and introductions can stimulate a stress response that impacts inflammation and immune function, the effects of short-term overnight separations and whether qualities of the pair relationship mediate these effects are unknown. In this study, we investigated the effects of overnight separations on the urinary cortisol concentration of 20 differentially paired adult female rhesus macaques (Macaca mulatta) at the California National Primate Research Center. These females were initially kept in either continuous (no overnight separation) or intermittent (with overnight separation) pair-housing and then switched to the alternate pair-housing condition part way through the study. Each study subject was observed for 5 weeks, during which we collected measures of affiliative, aggressive, anxious, abnormal, and activity-state behaviors in both pair-housing conditions. Additionally, up to three urine samples were collected from each subject per week and assayed for urinary free cortisol and creatinine. Lastly, the behavioral observer scored each pair on four relationship quality attributes ("Anxious," "Tense," "Well-meshed," and "Friendly") using a seven-point scale. Data were analyzed using a generalized linear model with gamma distribution and an information theoretic approach to determine the best model set. An interaction between the intermittent pairing condition and tense pair adjective rating was in the top three models of the best model set. Dominance and rates of affiliation were also important for explaining urinary cortisol variation. Our results suggest that to prevent significant changes in HPA-axis activation in rhesus macaque females, which could have unintended effects on research outcomes, pairs with "Tense" relationships and overnight separations preventing tactile contact should be avoided. © 2018 Wiley Periodicals, Inc.
Predicted Arabidopsis Interactome Resource and Gene Set Linkage Analysis: A Transcriptomic Analysis Resource.

PubMed

Yao, Heng; Wang, Xiaoxuan; Chen, Pengcheng; Hai, Ling; Jin, Kang; Yao, Lixia; Mao, Chuanzao; Chen, Xin

2018-05-01

An advanced functional understanding of omics data is important for elucidating the design logic of physiological processes in plants and effectively controlling desired traits in plants. We present the latest versions of the Predicted Arabidopsis Interactome Resource (PAIR) and of the gene set linkage analysis (GSLA) tool, which enable the interpretation of an observed transcriptomic change (differentially expressed genes [DEGs]) in Arabidopsis ( Arabidopsis thaliana ) with respect to its functional impact for biological processes. PAIR version 5.0 integrates functional association data between genes in multiple forms and infers 335,301 putative functional interactions. GSLA relies on this high-confidence inferred functional association network to expand our perception of the functional impacts of an observed transcriptomic change. GSLA then interprets the biological significance of the observed DEGs using established biological concepts (annotation terms), describing not only the DEGs themselves but also their potential functional impacts. This unique analytical capability can help researchers gain deeper insights into their experimental results and highlight prospective directions for further investigation. We demonstrate the utility of GSLA with two case studies in which GSLA uncovered how molecular events may have caused physiological changes through their collective functional influence on biological processes. Furthermore, we showed that typical annotation-enrichment tools were unable to produce similar insights to PAIR/GSLA. The PAIR version 5.0-inferred interactome and GSLA Web tool both can be accessed at http://public.synergylab.cn/pair/. © 2018 American Society of Plant Biologists. All Rights Reserved.
Long-range RNA pairings contribute to mutually exclusive splicing

PubMed Central

Yue, Yuan; Yang, Yun; Dai, Lanzhi; Cao, Guozheng; Chen, Ran; Hong, Weiling; Liu, Baoping; Shi, Yang; Meng, Yijun; Shi, Feng; Xiao, Mu; Jin, Yongfeng

2016-01-01

Mutually exclusive splicing is an important means of increasing the protein repertoire, by which the Down's syndrome cell adhesion molecule (Dscam) gene potentially generates 38,016 different isoforms in Drosophila melanogaster. However, the regulatory mechanisms remain obscure due to the complexity of the Dscam exon cluster. Here, we reveal a molecular model for the regulation of the mutually exclusive splicing of the serpent pre-mRNA based on competition between upstream and downstream RNA pairings. Such dual RNA pairings confer fine tuning of the inclusion of alternative exons. Moreover, we demonstrate that the splicing outcome of alternative exons is mediated in relative pairing strength-correlated mode. Combined comparative genomics analysis and experimental evidence revealed similar bidirectional structural architectures in exon clusters 4 and 9 of the Dscam gene. Our findings provide a novel mechanistic framework for the regulation of mutually exclusive splicing and may offer potentially applicable insights into long-range RNA–RNA interactions in gene regulatory networks. PMID:26554032
Long-range RNA pairings contribute to mutually exclusive splicing.

PubMed

Yue, Yuan; Yang, Yun; Dai, Lanzhi; Cao, Guozheng; Chen, Ran; Hong, Weiling; Liu, Baoping; Shi, Yang; Meng, Yijun; Shi, Feng; Xiao, Mu; Jin, Yongfeng

2016-01-01

Mutually exclusive splicing is an important means of increasing the protein repertoire, by which the Down's syndrome cell adhesion molecule (Dscam) gene potentially generates 38,016 different isoforms in Drosophila melanogaster. However, the regulatory mechanisms remain obscure due to the complexity of the Dscam exon cluster. Here, we reveal a molecular model for the regulation of the mutually exclusive splicing of the serpent pre-mRNA based on competition between upstream and downstream RNA pairings. Such dual RNA pairings confer fine tuning of the inclusion of alternative exons. Moreover, we demonstrate that the splicing outcome of alternative exons is mediated in relative pairing strength-correlated mode. Combined comparative genomics analysis and experimental evidence revealed similar bidirectional structural architectures in exon clusters 4 and 9 of the Dscam gene. Our findings provide a novel mechanistic framework for the regulation of mutually exclusive splicing and may offer potentially applicable insights into long-range RNA-RNA interactions in gene regulatory networks. © 2015 Yue et al.; Published by Cold Spring Harbor Laboratory Press for the RNA Society.
Error simulation of paired-comparison-based scaling methods

NASA Astrophysics Data System (ADS)

Cui, Chengwu

2000-12-01

Subjective image quality measurement usually resorts to psycho physical scaling. However, it is difficult to evaluate the inherent precision of these scaling methods. Without knowing the potential errors of the measurement, subsequent use of the data can be misleading. In this paper, the errors on scaled values derived form paired comparison based scaling methods are simulated with randomly introduced proportion of choice errors that follow the binomial distribution. Simulation results are given for various combinations of the number of stimuli and the sampling size. The errors are presented in the form of average standard deviation of the scaled values and can be fitted reasonably well with an empirical equation that can be sued for scaling error estimation and measurement design. The simulation proves paired comparison based scaling methods can have large errors on the derived scaled values when the sampling size and the number of stimuli are small. Examples are also given to show the potential errors on actually scaled values of color image prints as measured by the method of paired comparison.

Roto-translational Raman spectra of pairs of hydrogen molecules from first principles.

PubMed

Gustafsson, Magnus; Frommhold, Lothar; Li, Xiaoping; Hunt, K L C

2009-04-28

We calculate the collision-induced, roto-translational, polarized, and depolarized Raman spectra of pairs of H(2) molecules. The Schrodinger equation of H(2)-H(2) scattering in the presence of a weak radiation field is integrated in the close-coupled scheme. This permits the accounting for the anisotropy of the intermolecular potential energy surface and thereby it includes mixing of polarizability components. The static polarizability invariants, trace and anisotropy, of two interacting H(2) molecules were obtained elsewhere [Li et al., J. Chem. Phys. 126, 214302 (2007)] from first principles. Here we report the associated spherical tensor components which, along with the potential surface, are input in the calculation of the supramolecular Raman spectra. Special attention is paid to the interferences in the wings of the rotational S(0)(0) and S(0)(1) lines of the H(2) molecule. The calculated Raman pair spectra show reasonable consistency with existing measurements of the polarized and depolarized Raman spectra of pairs of H(2) molecules.
Urine and plasma metabonomics coupled with UHPLC-QTOF/MS and multivariate data analysis on potential biomarkers in anemia and hematinic effects of herb pair Gui-Hong.

PubMed

Li, Shujiao; Lin, Hang; Qu, Cheng; Tang, Yuping; Shen, Juan; Li, Weixia; Yue, Shijun; Kai, Jun; Shang, Guanxiong; Zhu, Zhenhua; Zhang, Changbin; Liu, Pei; Yan, Hui; Zhang, Li; Qian, Li; Qian, Dawei; Duan, Jin-ao

2015-07-21

The compatibility of Angelicae Sinensis Radix (Danggui) and Carthami Flos (Honghua), a famous herb pair Gui-Hong, can produce synergistic and complementary hematinic effects. Our previous studies have indicated that Gui-Hong has therapeutic potential treatment in hemolytic and aplastic anemia (HAA). The present study aimed to investigate the hematinic effects of Danggui, Honghua and Gui-Hong on HAA rats induced by acetyl phenylhydrazine (APH) and cyclophosphamide (CP) and to explore the underlying hematinic regulation mechanisms. Rats were divided into 5 groups, and drugs were administered by oral gavage one time each day for continuous 7 days from the experiment began. Urine and plasma were analyzed by ultra-high-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-QTOF/MS). Partial least-squares discriminate analysis (PLS-DA) models were built to evaluate the therapeutic effects of Danggui, Honghua and Gui-Hong. Pearson correlation matrix analysis method was used to discover the correlations between potential biomarkers and biochemical indicators of HAA rats. Seven potential biomarkers contribute to the separation of model group and control group were tentatively identified. The levels of l-kynurenine, phenylalanine, nicotinic acid and sphingosine increased significantly (P<0.05) in HAA rats, while the levels of l-isoleucine, l-tyrosine and serotonin decreased significantly (P<0.05) in comparison with control rats. Those endogenous metabolites were chiefly involved in phenylalanine, tyrosine and tryptophan biosynthesis, valine, leucine and isoleucine biosynthesis, tryptophan metabolism and tyrosine metabolism. The metabolic deviations could be regulated closer to normal level after Danggui, Honghua and Gui-Hong intervention. In term of hematinic effects, Gui-Hong was the most effective as shown by the relative distance in PLS-DA score plots and relative intensity of potential biomarkers. The result reflected the synergic action between Danggui and Honghua. The above results were found to be reasonable in explaining the hematinic effects mechanism of Gui-Hong. The results of routine blood, urinary metabolic pattern and plasma metabolic pattern show the Danggui, Honghua and Gui-Hong groups are moving toward the control group and the HAA was being prevented and alleviated. The effect of Gui-Hong group is more remarkable than Danggui and Honghua groups. Some potential biomarkers like l-kynurenine, phenylalanine, l-isoleucine, l-tyrosine, serotonin, nicotinic acid and sphingosine have been found and identified. The work shows that the metabonomics method is a promising tool in the efficacy and mechanism research of traditional Chinese medicines. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.
Vacuum Potentials for the Two Only Permanent Free Particles, Proton and Electron. Pair Productions

NASA Astrophysics Data System (ADS)

Zheng-Johansson, J. X.

2012-02-01

The two only species of isolatable, smallest, or unit charges +e and -e present in nature interact with the universal vacuum in a polarisable dielectric representation through two uniquely defined vacuum potential functions. All of the non-composite subatomic particles containing one-unit charges, +e or -e, are therefore formed in terms of the IED model of the respective charges, of zero rest masses, oscillating in either of the two unique vacuum potential fields, together with the radiation waves of their own charges. In this paper we give a first principles treatment of the dynamics of charge in a dielectric vacuum, based on which, combined with solutions for the radiation waves obtained previously, we subsequently derive the vacuum potential function for a given charge q, which we show to be quadratic and consist each of quantised potential levels, giving therefore rise to quantised characteristic oscillation frequencies of the charge and accordingly quantised, sharply-defined masses of the IED particles. By further combining with relevant experimental properties as input information, we determine the IED particles built from the charges +e, -e at their first excited states in the respective vacuum potential wells to be the proton and the electron, the observationally two only stable (permanently lived) and "free" particles containing one-unit charges. Their antiparticles as produced in pair productions can be accordingly determined. The characteristics of all of the other more energetic single-charged non-composite subatomic particles can also be recognised. We finally discuss the energy condition for pair production, which requires two successive energy supplies to (1) first disintegrate the bound pair of vaculeon charges +e, -e composing a vacuuon of the vacuum and (2) impart masses to the disintegrated charges.
Influence of isovector pairing and particle-number projection effects on spectroscopic factors for one-pair like-particle transfer reactions in proton-rich even-even nuclei

NASA Astrophysics Data System (ADS)

Benbouzid, Y.; Allal, N. H.; Fellah, M.; Oudih, M. R.

2018-04-01

Isovector neutron-proton (np) pairing and particle-number fluctuation effects on the spectroscopic factors (SF) corresponding to one-pair like-particle transfer reactions in proton-rich even-even nuclei are studied. With this aim, expressions of the SF corresponding to two-neutron stripping and two-proton pick-up reactions, which take into account the isovector np pairing effect, are established within the generalized BCS approach, using a schematic definition proposed by Chasman. Expressions of the same SF which strictly conserve the particle number are also established within the Sharp-BCS (SBCS) discrete projection method. In both cases, it is shown that these expressions generalize those obtained when only the pairing between like particles is considered. First, the formalism is tested within the Richardson schematic model. Second, it is applied to study even-even proton-rich nuclei using the single-particle energies of a Woods-Saxon mean-field. In both cases, it is shown that the np pairing effect and the particle-number projection effect on the SF values are important, particularly in N = Z nuclei, and must then be taken into account.
Reminder about potentially serious problems with a type of blocked ANOVA analysis

Treesearch

Steve Verrill; David E. Kretschmann

2017-01-01

A type of blocked experiment has the potential of being poorly designed and/or analyzed. Verrill (1993, 1999) and Verrill et al. (2004) referred to such an experiment as a âpredictor sortâ experiment. David and Gunnink (1997) described the procedure as âartificial pairing.â In textbooks it is sometimes referred to as a âmatched pairâ or a âmatched...
A trap potential model investigation of the optical activity induced in dye-DNA intercalation complexes

NASA Astrophysics Data System (ADS)

Kamiya, Mamoru

1988-02-01

The fundamental features of the optical activity induced in dye-DNA intercalation complexes are studied by application of the trap potential model which is useful to evaluate the induced rotational strength without reference to detailed geometrical information about the intercalation complexes. The specific effect of the potential depth upon the induced optical activity is explained in terms of the relative magnitudes of the wave-phase and helix-phase variations in the path of an electron moving on a restricted helical segment just like an exciton trapped around the dye intercalation site. The parallel and perpendicular components of the induced rotational strength well reflect basic properties of the helicity effects about the longitudinal and tangential axes of the DNA helical cylinder. The trap potential model is applied to optimize the potential parameters so as to reproduce the ionic strength effect upon the optical activity induced to proflavine-DNA intercalation complexes. From relationships between the optimized potential parameters and ionic strengths, it is inferred that increase in the ionic strength contributes to the optical activity induced by the nearest-neighbour interaction between intercalated proflavine and DNA base pairs.
The other half of the story: effect size analysis in quantitative research.

PubMed

Maher, Jessica Middlemis; Markey, Jonathan C; Ebert-May, Diane

2013-01-01

Statistical significance testing is the cornerstone of quantitative research, but studies that fail to report measures of effect size are potentially missing a robust part of the analysis. We provide a rationale for why effect size measures should be included in quantitative discipline-based education research. Examples from both biological and educational research demonstrate the utility of effect size for evaluating practical significance. We also provide details about some effect size indices that are paired with common statistical significance tests used in educational research and offer general suggestions for interpreting effect size measures. Finally, we discuss some inherent limitations of effect size measures and provide further recommendations about reporting confidence intervals.
Hydrologic calibration of paired watersheds using a MOSUM approach

DOE PAGES

Ssegane, H.; Amatya, D. M.; Muwamba, A.; ...

2015-01-09

Paired watershed studies have historically been used to quantify hydrologic effects of land use and management practices by concurrently monitoring two neighboring watersheds (a control and a treatment) during the calibration (pre-treatment) and post-treatment periods. This study characterizes seasonal water table and flow response to rainfall during the calibration period and tests a change detection technique of moving sums of recursive residuals (MOSUM) to select calibration periods for each control-treatment watershed pair when the regression coefficients for daily water table elevation (WTE) were most stable to reduce regression model uncertainty. The control and treatment watersheds included 1–3 year intensively managedmore » loblolly pine ( Pinus taeda L.) with natural understory, same age loblolly pine intercropped with switchgrass ( Panicum virgatum), 14–15 year thinned loblolly pine with natural understory (control), and switchgrass only. Although monitoring during the calibration period spanned 2009 to 2012, silvicultural operational practices that occurred during this period such as harvesting of existing stand and site preparation for pine and switchgrass establishment may have acted as external factors, potentially shifting hydrologic calibration relationships between control and treatment watersheds. Results indicated that MOSUM was able to detect significant changes in regression parameters for WTE due to silvicultural operations. This approach also minimized uncertainty of calibration relationships which could otherwise mask marginal treatment effects. All calibration relationships developed using this MOSUM method were quantifiable, strong, and consistent with Nash–Sutcliffe Efficiency (NSE) greater than 0.97 for WTE and NSE greater than 0.92 for daily flow, indicating its applicability for choosing calibration periods of paired watershed studies.« less
MHC class II-assortative mate choice in European badgers (Meles meles).

PubMed

Sin, Yung Wa; Annavi, Geetha; Newman, Chris; Buesching, Christina; Burke, Terry; Macdonald, David W; Dugdale, Hannah L

2015-06-01

The major histocompatibility complex (MHC) plays a crucial role in the immune system, and in some species, it is a target by which individuals choose mates to optimize the fitness of their offspring, potentially mediated by olfactory cues. Under the genetic compatibility hypothesis, individuals are predicted to choose mates with compatible MHC alleles, to increase the fitness of their offspring. Studies of MHC-based mate choice in wild mammals are under-represented currently, and few investigate more than one class of MHC genes. We investigated mate choice based on the compatibility of MHC class I and II genes in a wild population of European badgers (Meles meles). We also investigated mate choice based on microsatellite-derived pairwise relatedness, to attempt to distinguish MHC-specific effects from genomewide effects. We found MHC-assortative mating, based on MHC class II, but not class I genes. Parent pairs had smaller MHC class II DRB amino acid distances and smaller functional distances than expected from random pairings. When we separated the analyses into within-group and neighbouring-group parent pairs, only neighbouring-group pairs showed MHC-assortative mating, due to similarity at MHC class II loci. Our randomizations showed no evidence of genomewide-based inbreeding, based on 35 microsatellite loci; MHC class II similarity was therefore the apparent target of mate choice. We propose that MHC-assortative mate choice may be a local adaptation to endemic pathogens, and this assortative mate choice may have contributed to the low MHC genetic diversity in this population. © 2015 The Authors. Molecular Ecology published by John Wiley & Sons Ltd.
Pair cascades in the magnetospheres of strongly magnetized neutron stars

NASA Astrophysics Data System (ADS)

Medin, Zach; Lai, Dong

2010-08-01

We present numerical simulations of electron-positron pair cascades in the magnetospheres of magnetic neutron stars for a wide range of surface fields (Bp = 1012-1015 G), rotation periods (0.1-10 s) and field geometries. This has been motivated by the discovery in recent years of a number of radio pulsars with inferred magnetic fields comparable to those of magnetars. Evolving the cascade generated by a primary electron or positron after it has been accelerated in the inner gap of the magnetosphere, we follow the spatial development of the cascade until the secondary photons and electron-positron pairs leave the magnetosphere, and we obtain the pair multiplicity and the energy spectra of the cascade pairs and photons under various conditions. Going beyond previous works, which were restricted to weaker fields (B <~ afew × 1012 G), we have incorporated in our simulations detailed treatments of physical processes that are potentially important (especially in the high-field regime) but were either neglected or crudely treated before, including photon splitting with the correct selection rules for photon polarization modes, one-photon pair production into low Landau levels for the e+/-, and resonant inverse Compton scattering from polar cap hotspots. We find that even for B >> BQ = 4 × 1013 G, photon splitting has a small effect on the multiplicity of the cascade since a majority of the photons in the cascade cannot split. One-photon decay into e+ e- pairs at low Landau levels, however, becomes the dominant pair production channel when B >~ 3 × 1012 G; this tends to suppress synchrotron radiation so that the cascade can develop only at a larger distance from the stellar surface. Nevertheless, we find that the total number of pairs and their energy spectrum produced in the cascade depend mainly on the polar cap voltage BpP-2, and are weakly dependent on Bp (and P) alone. We discuss the implications of our results for the radio pulsar death line and for the hard X-ray emission from magnetized neutron stars.
Quantifying inbreeding avoidance through extra-pair reproduction

PubMed Central

Reid, Jane M; Arcese, Peter; Keller, Lukas F; Germain, Ryan R; Duthie, A Bradley; Losdat, Sylvain; Wolak, Matthew E; Nietlisbach, Pirmin

2015-01-01

Extra-pair reproduction is widely hypothesized to allow females to avoid inbreeding with related socially paired males. Consequently, numerous field studies have tested the key predictions that extra-pair offspring are less inbred than females’ alternative within-pair offspring, and that the probability of extra-pair reproduction increases with a female's relatedness to her socially paired male. However, such studies rarely measure inbreeding or relatedness sufficiently precisely to detect subtle effects, or consider biases stemming from failure to observe inbred offspring that die during early development. Analyses of multigenerational song sparrow (Melospiza melodia) pedigree data showed that most females had opportunity to increase or decrease the coefficient of inbreeding of their offspring through extra-pair reproduction with neighboring males. In practice, observed extra-pair offspring had lower inbreeding coefficients than females’ within-pair offspring on average, while the probability of extra-pair reproduction increased substantially with the coefficient of kinship between a female and her socially paired male. However, simulations showed that such effects could simply reflect bias stemming from inbreeding depression in early offspring survival. The null hypothesis that extra-pair reproduction is random with respect to kinship therefore cannot be definitively rejected in song sparrows, and existing general evidence that females avoid inbreeding through extra-pair reproduction requires reevaluation given such biases. PMID:25346331
A theoretical study of the photoinduced desorption of I — from a CF3I dimer

NASA Astrophysics Data System (ADS)

Tossell, J. A.

1997-04-01

Ab initio SCF-MO calculations using effective core-potential basis sets are employed to evaluate ionization potentials and electron affinities for CF3I and the geometries and energies of the singlet and triplet states of the CF3I dimer. The calculated geometry of the single state of the dimer is in qualitative agreement with the experimental geometry for condensed phase CF3I. The calculated energy for vertical excitation from the singlet to the triplet state is 4.1 eV at the Hartree-Fock level and 4.5 eV after incorporation of correlation at the Moller-Plesset 2nd-order level, consistent with excitation by 193 nm (6.4 eV) light. The equilibrium geometry of the triplet consists essentially of a CF3I+, CF3I- ion pair, in which the Csbnd I bond distance in the anionic component has increased to 5.5Å, compared with 2.1Åin the neutral molecule. The calculated binding energy of the triplet ion pair is about 4 eV.
Ionic structures and transport properties of hot dense W and U plasmas

NASA Astrophysics Data System (ADS)

Hou, Yong; Yuan, Jianmin

2016-10-01

We have combined the average-atom model with the hyper-netted chain approximation (AAHNC) to describe the electronic and ionic structure of uranium and tungsten in the hot dense matter regime. When the electronic structure is described within the average-atom model, the effects of others ions on the electronic structure are considered by the correlation functions. And the ionic structure is calculated though using the hyper-netted chain (HNC) approximation. The ion-ion pair potential is calculated using the modified Gordon-Kim model based on the electronic density distribution in the temperature-depended density functional theory. And electronic and ionic structures are determined self-consistently. On the basis of the ion-ion pair potential, we perform the classical (CMD) and Langevin (LMD) molecular dynamics to simulate the ionic transport properties, such as ionic self-diffusion and shear viscosity coefficients, through the ionic velocity correlation functions. Due that the free electrons become more and more with increasing the plasma temperature, the influence of the electron-ion collisions on the transport properties become more and more important.
CPM Pairs from LSPM so far not WDS Listed

NASA Astrophysics Data System (ADS)

Knapp, Wilfried; Nanson, John

2017-04-01

The LSPM catalog (Lepine and Shara 2005) is a rich source for CPM pairs we thought already exhausted - but as we found during research for our report “A new concept for counter-checking of assumed CPM pairs” (Knapp and Nanson 2016) there are still many potential CPM pairs indicated in LSPM which as of the beginning of 2016 are not listed in the WDS catalog. A first part of about 40 such objects is presented here.
Can evaluative conditioning decrease soft drink consumption?

PubMed

Shaw, Jena A; Forman, Evan M; Espel, Hallie M; Butryn, Meghan L; Herbert, James D; Lowe, Michael R; Nederkoorn, Chantal

2016-10-01

The present study examined the effect of a picture-picture evaluative conditioning (EC) procedure on soft drink (soda) outcomes, including negative implicit attitudes, consumption during a taste test, and real-world consumption reported during the week after the intervention. In the EC condition (n = 43), soda images were paired with disgust images and water images were paired with pleasant images, whereas in the control condition (n = 41), the same images were viewed without pairing. The EC condition showed a larger reduction in real-world soda consumption across the week following the intervention. However, individuals in the EC condition did not consume less soda during a taste test immediately following the intervention. EC only significantly increased negative implicit attitudes towards soda among individuals who already had relatively higher baseline negative attitudes. These findings generally favored the potential for EC to impact soda drinking habits, but suggest that a brief EC intervention may not be strong enough to change attitudes towards a well-known brand unless negative attitudes are already present. Copyright © 2016 Elsevier Ltd. All rights reserved.
Sequence-dependent response of DNA to torsional stress: a potential biological regulation mechanism.

PubMed

Reymer, Anna; Zakrzewska, Krystyna; Lavery, Richard

2018-02-28

Torsional restraints on DNA change in time and space during the life of the cell and are an integral part of processes such as gene expression, DNA repair and packaging. The mechanical behavior of DNA under torsional stress has been studied on a mesoscopic scale, but little is known concerning its response at the level of individual base pairs and the effects of base pair composition. To answer this question, we have developed a geometrical restraint that can accurately control the total twist of a DNA segment during all-atom molecular dynamics simulations. By applying this restraint to four different DNA oligomers, we are able to show that DNA responds to both under- and overtwisting in a very heterogeneous manner. Certain base pair steps, in specific sequence environments, are able to absorb most of the torsional stress, leaving other steps close to their relaxed conformation. This heterogeneity also affects the local torsional modulus of DNA. These findings suggest that modifying torsional stress on DNA could act as a modulator for protein binding via the heterogeneous changes in local DNA structure.
Sequence-dependent response of DNA to torsional stress: a potential biological regulation mechanism

PubMed Central

Reymer, Anna; Zakrzewska, Krystyna; Lavery, Richard

2018-01-01

Abstract Torsional restraints on DNA change in time and space during the life of the cell and are an integral part of processes such as gene expression, DNA repair and packaging. The mechanical behavior of DNA under torsional stress has been studied on a mesoscopic scale, but little is known concerning its response at the level of individual base pairs and the effects of base pair composition. To answer this question, we have developed a geometrical restraint that can accurately control the total twist of a DNA segment during all-atom molecular dynamics simulations. By applying this restraint to four different DNA oligomers, we are able to show that DNA responds to both under- and overtwisting in a very heterogeneous manner. Certain base pair steps, in specific sequence environments, are able to absorb most of the torsional stress, leaving other steps close to their relaxed conformation. This heterogeneity also affects the local torsional modulus of DNA. These findings suggest that modifying torsional stress on DNA could act as a modulator for protein binding via the heterogeneous changes in local DNA structure. PMID:29267977
Responding to Climate Change at the Poles: Findings from the National Research Council's Reports on Climate Intervention

NASA Astrophysics Data System (ADS)

Russell, L. M.; McNutt, M. K.; Abdalati, W.; Caldeira, K.; Doney, S. C.; Falkowski, P. G.; Fetter, S.; Fleming, J. R.; Hamburg, S.; Morgan, G.; Penner, J.; Pierrehumbert, R.; Rasch, P. J.; Snow, J. T.; Wilcox, J.

2015-12-01

Earlier this year the National Research Council of the US National Academy of Sciences released a pair of reports on two strategies of climate intervention in order to reduce the risks of negative impacts from climate change. The first of the pair of reports discusses the opportunities and challenges in carbon capture and long-term, safe sequestration. The second report discusses several approaches to reflecting sunlight to cool Earth, including the risks, time scales, costs, and socio-economic, and political considerations. The primary conclusion from these pair of reports is that mitigation and adaptation are still our best choices in terms of cost and low risk for reducing harmful effects from climate change: there is no "silver bullet." Given that the polar regions of the planet are the most sensitive to climate change, the reports also touched on the potential for regional climate intervention. The majority of the methods that are currently under discussion and for which there is a body of peer-reviewed research would have global impacts, with but few exceptions.
Cosmological perturbations in the entangled inflationary universe

NASA Astrophysics Data System (ADS)

Robles-Pérez, Salvador J.

2018-03-01

In this paper, the model of a multiverse made up of universes that are created in entangled pairs that conserve the total momentum conjugated to the scale factor is presented. For the background spacetime, assumed is a Friedmann-Robertson-Walker metric with a scalar field with mass m minimally coupled to gravity. For the fields that propagate in the entangled spacetimes, the perturbations of the spacetime and the scalar field, whose quantum states become entangled too, are considered. They turn out to be in a quasithermal state, and the corresponding thermodynamical magnitudes are computed. Three observables are expected to be caused by the creation of the universes in entangled pairs: a modification of the Friedmann equation because of the entanglement of the spacetimes, a modification of the effective value of the potential of the scalar field by the backreaction of the perturbation modes, and a modification of the spectrum of fluctuations because the thermal distribution is induced by the entanglement of the partner universes. The later would be a distinctive feature of the creation of universes in entangled pairs.
Promiscuity resolves constraints on social mate choice imposed by population viscosity.

PubMed

While, Geoffrey M; Uller, Tobias; Bordogna, Genevieve; Wapstra, Erik

2014-02-01

Population viscosity can have major consequences for adaptive evolution, in particular for phenotypes involved in social interactions. For example, population viscosity increases the probability of mating with close kin, resulting in selection for mechanisms that circumvent the potential negative consequences of inbreeding. Female promiscuity is often suggested to be one such mechanism. However, whether avoidance of genetically similar partners is a major selective force shaping patterns of promiscuity remains poorly supported by empirical data. Here, we show (i) that fine-scale genetic structure constrains social mate choice in a pair-bonding lizard, resulting in individuals pairing with genetically similar individuals, (ii) that these constraints are circumvented by multiple mating with less related individuals and (iii) that this results in increased heterozygosity of offspring. Despite this, we did not detect any significant effects of heterozygosity on offspring or adult fitness or a strong relationship between pair relatedness and female multiple mating. We discuss these results within the context of incorporating the genetic context dependence of mating strategies into a holistic understanding of mating system evolution. © 2013 John Wiley & Sons Ltd.

Brand name confusion: Subjective and objective measures of orthographic similarity.

PubMed

Burt, Jennifer S; McFarlane, Kimberley A; Kelly, Sarah J; Humphreys, Michael S; Weatherall, Kimberlee; Burrell, Robert G

2017-09-01

Determining brand name similarity is vital in areas of trademark registration and brand confusion. Students rated the orthographic (spelling) similarity of word pairs (Experiments 1, 2, and 4) and brand name pairs (Experiment 5). Similarity ratings were consistently higher when words shared beginnings rather than endings, whereas shared pronunciation of the stressed vowel had small and less consistent effects on ratings. In Experiment 3 a behavioral task confirmed the similarity of shared beginnings in lexical processing. Specifically, in a task requiring participants to decide whether 2 words presented in the clear (a probe and a later target) were the same or different, a masked prime word preceding the target shortened response latencies if it shared its initial 3 letters with the target. The ratings of students for word and brand name pairs were strongly predicted by metrics of orthographic similarity from the visual word identification literature based on the number of shared letters and their relative positions. The results indicate a potential use for orthographic metrics in brand name registration and trademark law. (PsycINFO Database Record (c) 2017 APA, all rights reserved).
An Ultra-Sensitive Electrometer based on the Cavity-Embedded Cooper-Pair Transistor

NASA Astrophysics Data System (ADS)

Li, Juliang; Miller, Marco; Rimberg, Alex

2015-03-01

We discuss use of a cavity-embedded Cooper-pair transistor (cCPT) as a potentially quantum-limited electrometer. The cCPT consists of a Cooper pair transistor placed at the voltage antinode of a 5.7 GHz shorted quarter-wave resonator so that the CPT provides a galvanic connection between the cavity's central conductor and ground plane. The quantum inductance of the CPT, which appears in parallel with the effective inductance of the cavity resonance, can be modulated by application of either a gate voltage to the CPT island or a flux bias to the CPT/cavity loop. Changes in the CPT inductance shift the cavity resonant frequency, and therefore the phase of a microwave signal reflected from the cavity. The reflected wave is amplified by both SLUG and HEMT amplifiers before its phase is measured. Results of recent measurements on the cCPT electrometer will be compared with theoretical predictions. This work was supported by the NSF under Grant No. DMR-1104821, by the ARO under Contract No, W911NF-13-1-0377 and by AFOSR/DARPA under Agreement No. FA8750-12-2-0339.
Effective theory of exotic superconductivity in LaAlO3/SrTiO3 interfaces

NASA Astrophysics Data System (ADS)

Esmailzadeh, Haniyeh; Moghaddam, Ali G.

2018-05-01

Motivated by experimental and theoretical works about superconductivity at the oxide interfaces, we provide a simple model for possible unconventional pairings inside the exotic two-dimensional electron gas formed in heterostructures of SrTiO3 and LaAlO3. At the low energy limit, the electron gas at the interfaces is usually modeled with an effective three band model considering of 3d t2g orbitals which are slightly coupled by atomic spin-orbit couplings (SOC). Considering direct superconducting pairing in two higher delocalized bands and by exploiting a perturbative scheme based on canonical transformation, we derive the effective pairing amplitudes with possibly exotic nature inside the localized dxy band as well as various inter-band pairing components. In particular we show that equal-spin triplet pairings are possible between the band dxy and any of other dxz and dyz bands. In addition weaker effective pairings take place inside the localized band itself and between delocalized dxz and dyz bands with singlet and opposite-spin triplet characters. These unconventional effective pairings are indeed mediated by SOC-induced higher order virtual transitions between the bands and particularly into the localized band. Our model suggest that unconventional effective superconductivity is possible at oxide interfaces, simply, due to the special band structure and important role of atomic SOC and perhaps other magnetic effects present at these heterostructures.
What is learned from repeated pairings? On the scope and generalizability of evaluative conditioning.

PubMed

Hütter, Mandy; Kutzner, Florian; Fiedler, Klaus

2014-04-01

The investigation of evaluative conditioning (EC) has been mainly concerned with the conditioning of individual stimuli. Namely, a specific conditioned stimulus (CS) is paired with a positive or negative unconditioned stimulus and consequently acquires the valence of the unconditioned stimulus. In the present article, we expand the notion of EC to CS cues (e.g., gender) as distinguished from CS objects (e.g., an individual). We developed a conditioning paradigm that allows for the simultaneous investigation of both types of EC effects, evaluative identity conditioning and evaluative cue conditioning. The experiments demonstrate that EC has the potential to change attitudes not only toward CS individuals but also toward CS cues. We applied this twofold approach to both impoverished and more complex learning environments, demonstrating that evaluative identity conditioning is dependent on stimulus complexity while evaluative cue conditioning depends on the complexity of the stimulus context. The findings have distinct implications for the generalization of EC effects as well as for the investigation of EC.
Effects of molecular elongation on liquid crystalline phase behaviour: isotropic-nematic transition

NASA Astrophysics Data System (ADS)

Singh, Ram Chandra; Ram, Jokhan

2003-08-01

We present the density-functional approach to study the isotropic-nematic transitions and calculate the values of freezing parameters of the Gay-Berne liquid crystal model, concentrating on the effects of varying the molecular elongation, x0. For this, we have solved the Percus-Yevick integral equation theory to calculate the pair-correlation functions of a fluid the molecules of which interact via a Gay-Berne pair potential. These results have been used in the density-functional theory as an input to locate the isotropic-nematic transition and calculate freezing parameters for a range of length-to-width parameters 3.0⩽ x0⩽4.0 at reduced temperatures 0.95 and 1.25. We observed that as x0 is increased, the isotropic-nematic transition is seen to move to lower density at a given temperature. We find that the density-functional theory is good to study the freezing transitions in such fluids. We have also compared our results with computer simulation results wherever they are available.
Sequence Effect on the Formation of DNA Minidumbbells.

PubMed

Liu, Yuan; Lam, Sik Lok

2017-11-16

The DNA minidumbbell (MDB) is a recently identified non-B structure. The reported MDBs contain two TTTA, CCTG, or CTTG type II loops. At present, the knowledge and understanding of the sequence criteria for MDB formation are still limited. In this study, we performed a systematic high-resolution nuclear magnetic resonance (NMR) and native gel study to investigate the effect of sequence variations in tandem repeats on the formation of MDBs. Our NMR results reveal the importance of hydrogen bonds, base-base stacking, and hydrophobic interactions from each of the participating residues. We conclude that in the MDBs formed by tandem repeats, C-G loop-closing base pairs are more stabilizing than T-A loop-closing base pairs, and thymine residues in both the second and third loop positions are more stabilizing than cytosine residues. The results from this study enrich our knowledge on the sequence criteria for the formation of MDBs, paving a path for better exploring their potential roles in biological systems and DNA nanotechnology.
Dance expertise modulates visual sensitivity to complex biological movements.

PubMed

Orlandi, Andrea; Zani, Alberto; Proverbio, Alice Mado

2017-09-01

Motor resonance processes that occur when observing an individual perform an action may be modulated by acquired visuomotor expertise. We used the event-related potential (EEG/ERP) technique to investigate the ability to automatically recognize a subtle difference between very similar novel contemporary dance movements. Twelve professional dancers and twelve non-dancers were shown 212 pairs of videos of complex whole-body movements that lasted 3s. The second of each pair was the repetition of the previous movement or a slight variation of it (deviance). The participants were engaged in a secondary attentional task. Modulation of a larger centro-parietal N400 effect and a reduction of the Late Positivity amplitude (repetition suppression effect) were identified in response to deviant stimuli only in the dancers. Source reconstruction (swLORETA) showed activations in biological motion, body and face processing related areas, and fronto-parietal and limbic systems. The current findings provide evidence that acquired dance expertise modifies the ability to visually code whole-body complex movements. Copyright © 2017 Elsevier Ltd. All rights reserved.
Oblique Wave-Induced Responses of A VLFS Edged with A Pair of Inclined Perforated Plates

NASA Astrophysics Data System (ADS)

Cheng, Yong; Ji, Chun-yan; Zhai, Gang-jun; Oleg, Gaidai

2018-03-01

This paper is concerned with the hydroelastic responses of a mat-like, rectangular very large floating structure (VLFS) edged with a pair of horizontal/inclined perforated anti-motion plates in the context of the direct coupling method. The updated Lagrangian formulae are applied to establish the equilibrium equations of the VLFS and the total potential formula is employed for fluids in the numerical model including the viscous effect of the perforated plates through the Darcy's law. The hybrid finite element-boundary element (FE-BE) method is implemented to determine the response reduction of VLFS with attached perforated plates under various oblique incident waves. Also, the numerical solutions are validated against a series of experimental tests. The effectiveness of the attached perforated plates in reducing the deflections of the VLFS can be significantly improved by selecting the proper design parameters such as the porous parameter, submergence depth, plate width and inclination angle for the given sea conditions.
Assessment of potential effects of water produced from coalbed natural gas development on macroinvertebrate and algal communities in the Powder River and Tongue River, Wyoming and Montana, 2010

USGS Publications Warehouse

Peterson, David A.; Hargett, Eric G.; Feldman, David L.

2011-01-01

Ongoing development of coalbed natural gas in the Powder River structural basin in Wyoming and Montana led to formation of an interagency aquatic task group to address concerns about the effects of the resulting production water on biological communities in streams of the area. Ecological assessments, made from 2005–08 under the direction of the task group, indicated biological condition of the macroinvertebrate and algal communities in the middle reaches of the Powder was lower than in the upper or lower reaches. On the basis of the 2005–08 results, sampling of the macroinvertebrate and algae communities was conducted at 18 sites on the mainstem Powder River and 6 sites on the mainstem Tongue River in 2010. Sampling-site locations were selected on a paired approach, with sites located upstream and downstream of discharge points and tributaries associated with coalbed natural gas development. Differences in biological condition among site pairs were evaluated graphically and statistically using multiple lines of evidence that included macroinvertebrate and algal community metrics (such as taxa richness, relative abundance, functional feeding groups, and tolerance) and output from observed/expected (O/E) macroinvertebrate models from Wyoming and Montana. Multiple lines of evidence indicated a decline in biological condition in the middle reaches of the Powder River, potentially indicating cumulative effects from coalbed natural gas discharges within one or more reaches between Flying E Creek and Wild Horse Creek in Wyoming. The maximum concentrations of alkalinity in the Powder River also occurred in the middle reaches. Biological condition in the upper and lower reaches of the Powder River was variable, with declines between some site pairs, such as upstream and downstream of Dry Fork and Willow Creek, and increases at others, such as upstream and downstream of Beaver Creek. Biological condition at site pairs on the Tongue River showed an increase in one case, near the Wyoming-Montana border, and a decrease in another case, upstream of Tongue River Reservoir. Few significant differences were noted from upstream to downstream of Prairie Dog Creek, a major tributary to the Tongue River. Further study would be needed to confirm the observed patterns and choose areas to examine in greater detail.
Bridging the gap: functional healing of embryonic small intestine ex vivo

PubMed Central

Coletta, Riccardo; Roberts, Neil A.; Oltrabella, Francesca; Khalil, Basem A.; Morabito, Antonino

2015-01-01

Abstract The ability to grow embryonic organs ex vivo provides an opportunity to follow their differentiation in a controlled environment, with resulting insights into normal development. Additionally, similar strategies can be used to assess effects on organogenesis of physical and chemical manipulations. This study aimed to create an organ culture model with which to test physical manipulations to enhance healing of gut segments, thus generating a single functional organ. Embryonic mouse jejunum was isolated and cut into 2–3 mm tubes, which were placed in pairs, separated by a small gap, on semi‐permeable supports. Each pair was linked by a nylon suture threaded through their lumens. After 3 days in organ culture fed by defined serum‐free media, the rudiments differentiated to form tubes of smooth muscle surrounding a core of rudimentary villi. Of 34 such pairs, 74% had touching and well aligned proximate ends. Of these joined structures, 80% (59% of the total pairs) had a continuous lumen, as assessed by observing the trajectories of fluorescent dextrans injected into their distal ends. Fused organ pairs formed a single functional unit, as assessed by spontaneous contraction waves propagated along their lengths. In these healed intestines, peripherin+ neurons formed a nexus in the zone of fusion, linking the rudiment pairs. In future, this system could be used to test whether growth factors enhance fusion. Such results should in turn inform the design of novel treatments for short bowel syndrome, a potentially fatal condition with a currently limited and imperfect range of therapies. ©2015. The Authors Journal of Tissue Engineering and Regenerative Medicine Published by John Wiley & Sons, Ltd PMID:26234729
Mitochondrial DNA Copy Number in Sleep Duration Discordant Monozygotic Twins.

PubMed

Wrede, Joanna E; Mengel-From, Jonas; Buchwald, Dedra; Vitiello, Michael V; Bamshad, Michael; Noonan, Carolyn; Christiansen, Lene; Christensen, Kaare; Watson, Nathaniel F

2015-10-01

Mitochondrial DNA (mtDNA) copy number is an important component of mitochondrial function and varies with age, disease, and environmental factors. We aimed to determine whether mtDNA copy number varies with habitual differences in sleep duration within pairs of monozygotic twins. Academic clinical research center. 15 sleep duration discordant monozygotic twin pairs (30 twins, 80% female; mean age 42.1 years [SD 15.0]). Sleep duration was phenotyped with wrist actigraphy. Each twin pair included a "normal" (7-9 h/24) and "short" (< 7 h/24) sleeping twin. Fasting peripheral blood leukocyte DNA was assessed for mtDNA copy number via the n-fold difference between qPCR measured mtDNA and nuclear DNA creating an mtDNA measure without absolute units. We used generalized estimating equation linear regression models accounting for the correlated data structure to assess within-pair effects of sleep duration on mtDNA copy number. Mean within-pair sleep duration difference per 24 hours was 94.3 minutes (SD 62.6 min). We found reduced sleep duration (β = 0.06; 95% CI 0.004, 0.12; P < 0.05) and sleep efficiency (β = 0.51; 95% CI 0.06, 0.95; P < 0.05) were significantly associated with reduced mtDNA copy number within twin pairs. Thus every 1-minute decrease in actigraphy-defined sleep duration was associated with a decrease in mtDNA copy number of 0.06. Likewise, a 1% decrease in actigraphy-defined sleep efficiency was associated with a decrease in mtDNA copy number of 0.51. Reduced sleep duration and sleep efficiency were associated with reduced mitochondrial DNA copy number in sleep duration discordant monozygotic twins offering a potential mechanism whereby short sleep impairs health and longevity through mitochondrial stress. © 2015 Associated Professional Sleep Societies, LLC.
ac Josephson effect and resonant Cooper pair tunneling emission of a single Cooper pair transistor.

PubMed

Billangeon, P-M; Pierre, F; Bouchiat, H; Deblock, R

2007-05-25

We measure the high-frequency emission of a single Cooper pair transistor (SCPT) in the regime where transport is only due to tunneling of Cooper pairs. This is achieved by coupling on chip the SCPT to a superconductor-insulator-superconductor junction and by measuring the photon assisted tunneling current of quasiparticles across the junction. This technique allows a direct detection of the ac Josephson effect of the SCPT and provides evidence of Landau-Zener transitions for proper gate voltage. The emission in the regime of resonant Cooper pair tunneling is also investigated. It is interpreted in terms of transitions between charge states coupled by the Josephson effect.
Dressed ion theory of size-asymmetric electrolytes: effective ionic charges and the decay length of screened Coulomb potential and pair correlations.

PubMed

Forsberg, Björn; Ulander, Johan; Kjellander, Roland

2005-02-08

The effects of ionic size asymmetry on long-range electrostatic interactions in electrolyte solutions are investigated within the primitive model. Using the formalism of dressed ion theory we analyze correlation functions from Monte Carlo simulations and the hypernetted chain approximation for size asymmetric 1:1 electrolytes. We obtain decay lengths of the screened Coulomb potential, effective charges of ions, and effective permittivity of the solution. It is found that the variation of these quantities with the degree of size asymmetry depends in a quite intricate manner on the interplay between the electrostatic coupling and excluded volume effects. In most cases the magnitude of the effective charge of the small ion species is larger than that of the large species; the difference increases with increasing size asymmetry. The effective charges of both species are larger (in absolute value) than the bare ionic charge, except for high asymmetry where the effective charge of the large ions can become smaller than the bare charge.
A natively paired antibody library yields drug leads with higher sensitivity and specificity than a randomly paired antibody library.

PubMed

Adler, Adam S; Bedinger, Daniel; Adams, Matthew S; Asensio, Michael A; Edgar, Robert C; Leong, Renee; Leong, Jackson; Mizrahi, Rena A; Spindler, Matthew J; Bandi, Srinivasa Rao; Huang, Haichun; Tawde, Pallavi; Brams, Peter; Johnson, David S

2018-04-01

Deep sequencing and single-chain variable fragment (scFv) yeast display methods are becoming more popular for discovery of therapeutic antibody candidates in mouse B cell repertoires. In this study, we compare a deep sequencing and scFv display method that retains native heavy and light chain pairing with a related method that randomly pairs heavy and light chain. We performed the studies in a humanized mouse, using interleukin 21 receptor (IL-21R) as a test immunogen. We identified 44 high-affinity binder scFv with the native pairing method and 100 high-affinity binder scFv with the random pairing method. 30% of the natively paired scFv binders were also discovered with the randomly paired method, and 13% of the randomly paired binders were also discovered with the natively paired method. Additionally, 33% of the scFv binders discovered only in the randomly paired library were initially present in the natively paired pre-sort library. Thus, a significant proportion of "randomly paired" scFv were actually natively paired. We synthesized and produced 46 of the candidates as full-length antibodies and subjected them to a panel of binding assays to characterize their therapeutic potential. 87% of the antibodies were verified as binding IL-21R by at least one assay. We found that antibodies with native light chains were more likely to bind IL-21R than antibodies with non-native light chains, suggesting a higher false positive rate for antibodies from the randomly paired library. Additionally, the randomly paired method failed to identify nearly half of the true natively paired binders, suggesting a higher false negative rate. We conclude that natively paired libraries have critical advantages in sensitivity and specificity for antibody discovery programs.
Exact density-potential pairs from complex-shifted axisymmetric systems

NASA Astrophysics Data System (ADS)

Ciotti, Luca; Marinacci, Federico

2008-07-01

In a previous paper, the complex-shift method has been applied to self-gravitating spherical systems, producing new analytical axisymmetric density-potential pairs. We now extend the treatment to the Miyamoto-Nagai disc and the Binney logarithmic halo, and we study the resulting axisymmetric and triaxial analytical density-potential pairs; we also show how to obtain the surface density of shifted systems from the complex shift of the surface density of the parent model. In particular, the systems obtained from Miyamoto-Nagai discs can be used to describe disc galaxies with a peanut-shaped bulge or with a central triaxial bar, depending on the direction of the shift vector. By using a constructive method that can be applied to generic axisymmetric systems, we finally show that the Miyamoto-Nagai and the Satoh discs, and the Binney logarithmic halo cannot be obtained from the complex shift of any spherical parent distribution. As a by-product of this study, we also found two new generating functions in closed form for even and odd Legendre polynomials, respectively.
Structural studies of CNG repeats

PubMed Central

Kiliszek, Agnieszka; Rypniewski, Wojciech

2014-01-01

CNG repeats (where N denotes one of the four natural nucleotides) are abundant in the human genome. Their tendency to undergo expansion can lead to hereditary diseases known as TREDs (trinucleotide repeat expansion disorders). The toxic factor can be protein, if the abnormal gene is expressed, or the gene transcript, or both. The gene transcripts have attracted much attention in the biomedical community, but their molecular structures have only recently been investigated. Model RNA molecules comprising CNG repeats fold into long hairpins whose stems generally conform to an A-type helix, in which the non-canonical N-N pairs are flanked by C-G and G-C pairs. Each homobasic pair is accommodated in the helical context in a unique manner, with consequences for the local helical parameters, solvent structure, electrostatic potential and potential to interact with ligands. The detailed three-dimensional profiles of RNA CNG repeats can be used in screening of compound libraries for potential therapeutics and in structure-based drug design. Here is a brief survey of the CNG structures published to date. PMID:24939898
Structure and effective interactions in three-component hard sphere liquids.

PubMed

König, A; Ashcroft, N W

2001-04-01

Complete and simple analytical expressions for the partial structure factors of the ternary hard sphere mixture are obtained within the Percus-Yevick approximation and presented as functions of relative packing fractions and relative hard sphere diameters. These solutions follow from the Laplace transform method as applied to multicomponent systems by Lebowitz [Phys. Rev. 133, A895 (1964)]. As an important application, we examine effective interactions in hard sphere liquid mixtures using the microscopic information contained in their partial structure factors. Thus the ensuring pair potential for an effective one-component system is obtained from the correlation functions by using an approximate inversion, and examples of effective potentials for three-component hard sphere mixtures are given. These mixtures may be of particular interest for the study of the packing aspects of melts that form glasses or quasicrystals, since noncrystalline solids often emerge from melts with at least three atomic constituents.
Effect of low doses of delta9-tetrahydrocannabinol and cannabidiol on the extinction of cocaine-induced and amphetamine-induced conditioned place preference learning in rats.

PubMed

Parker, Linda A; Burton, Page; Sorge, Robert E; Yakiwchuk, Christine; Mechoulam, Raphael

2004-09-01

Using the place-preference conditioning paradigm, we evaluated the potential of the two most prominent cannabinoids found in marijuana, the psychoactive component delta9-tetrahydrocannabinol (delta9-THC) and the nonpsychoactive component cannabidiol (CBD), to potentiate extinction of a cocaine-induced and an amphetamine-induced conditioned place preference in rats. To determine the effects of pretreatment with delta9-THC or CBD on extinction, a cocaine-induced and amphetamine-induced place preference was first established. Rats were then given an extinction trial, during which they were confined to the treatment-paired floor for 15 min. Thirty minutes prior to the extinction trial, they were injected with a low dose of delta9-THC (0.5 mg/kg), CBD (5 mg/kg) or vehicle. The potential of the CB1 receptor antagonist, SR141716, to reverse the effects of delta9-THC or CBD was also evaluated. To determine the hedonic effects of CBD, one distinctive floor was paired with CBD (5 mg/kg) and another with saline. Finally, to determine the effect of delta9-THC.or CBD on the establishment and/or the expression of a place preference during four cycles of conditioning trials, rats were injected with delta9-THC (0.25-1 mg/kg), CBD (5 mg/kg) or vehicle 25 min prior to receiving an injection of amphetamine followed by placement on the treatment floor; on alternate days, they received injections of vehicle followed by saline and placement on the nontreatment floor. The rats then received two test trials; on one trial they were pretreated with the cannabinoid and on the other trial with vehicle. delta9-THC and CBD potentiated the extinction of both cocaine-induced and amphetamine-induced conditioned place preference learning, and this effect was not reversed by SR141716. The cannabinoids did not affect learning or retrieval, and CBD was not hedonic on its own. These results are the first to show that both delta9-THC, which acts on both CB 1 and CB2 receptors, and CBD, which does not bind to CB1 or CB2 receptors, potentiate the extinction of conditioned incentive learning.
Corresponding-states laws for protein solutions.

PubMed

Katsonis, Panagiotis; Brandon, Simon; Vekilov, Peter G

2006-09-07

The solvent around protein molecules in solutions is structured and this structuring introduces a repulsion in the intermolecular interaction potential at intermediate separations. We use Monte Carlo simulations with isotropic, pair-additive systems interacting with such potentials. We test if the liquid-liquid and liquid-solid phase lines in model protein solutions can be predicted from universal curves and a pair of experimentally determined parameters, as done for atomic and colloid materials using several laws of corresponding states. As predictors, we test three properties at the critical point for liquid-liquid separation: temperature, as in the original van der Waals law, the second virial coefficient, and a modified second virial coefficient, all paired with the critical volume fraction. We find that the van der Waals law is best obeyed and appears more general than its original formulation: A single universal curve describes all tested nonconformal isotropic pair-additive systems. Published experimental data for the liquid-liquid equilibrium for several proteins at various conditions follow a single van der Waals curve. For the solid-liquid equilibrium, we find that no single system property serves as its predictor. We go beyond corresponding-states correlations and put forth semiempirical laws, which allow prediction of the critical temperature and volume fraction solely based on the range of attraction of the intermolecular interaction potential.
Long-Term Visuo-Gustatory Appetitive and Aversive Conditioning Potentiate Human Visual Evoked Potentials

PubMed Central

Christoffersen, Gert R. J.; Laugesen, Jakob L.; Møller, Per; Bredie, Wender L. P.; Schachtman, Todd R.; Liljendahl, Christina; Viemose, Ida

2017-01-01

Human recognition of foods and beverages are often based on visual cues associated with flavors. The dynamics of neurophysiological plasticity related to acquisition of such long-term associations has only recently become the target of investigation. In the present work, the effects of appetitive and aversive visuo-gustatory conditioning were studied with high density EEG-recordings focusing on late components in the visual evoked potentials (VEPs), specifically the N2-P3 waves. Unfamiliar images were paired with either a pleasant or an unpleasant juice and VEPs evoked by the images were compared before and 1 day after the pairings. In electrodes located over posterior visual cortex areas, the following changes were observed after conditioning: the amplitude from the N2-peak to the P3-peak increased and the N2 peak delay was reduced. The percentage increase of N2-to-P3 amplitudes was asymmetrically distributed over the posterior hemispheres despite the fact that the images were bilaterally symmetrical across the two visual hemifields. The percentage increases of N2-to-P3 amplitudes in each experimental subject correlated with the subject’s evaluation of positive or negative hedonic valences of the two juices. The results from 118 scalp electrodes gave surface maps of theta power distributions showing increased power over posterior visual areas after the pairings. Source current distributions calculated from swLORETA revealed that visual evoked currents rose as a result of conditioning in five cortical regions—from primary visual areas and into the inferior temporal gyrus (ITG). These learning-induced changes were seen after both appetitive and aversive training while a sham trained control group showed no changes. It is concluded that long-term visuo-gustatory conditioning potentiated the N2-P3 complex, and it is suggested that the changes are regulated by the perceived hedonic valence of the US. PMID:28983243

Base drive circuit

DOEpatents

Lange, Arnold C.

1995-01-01

An improved base drive circuit (10) having a level shifter (24) for providing bistable input signals to a pair of non-linear delays (30, 32). The non-linear delays (30, 32) provide gate control to a corresponding pair of field effect transistors (100, 106) through a corresponding pair of buffer components (88, 94). The non-linear delays (30, 32) provide delayed turn-on for each of the field effect transistors (100, 106) while an associated pair of transistors (72, 80) shunt the non-linear delays (30, 32) during turn-off of the associated field effect transistor (100, 106).
Generating photon pairs from a silicon microring resonator using an electronic step recovery diode for pump pulse generation

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

Savanier, Marc, E-mail: msavanier@eng.ucsd.edu; Mookherjea, Shayan, E-mail: smookherjea@eng.ucsd.edu

Generation of photon pairs from compact, manufacturable, and inexpensive silicon (Si) photonic devices at room temperature may help develop practical applications of quantum photonics. An important characteristic of photon-pair generation is the two-photon joint spectral intensity, which describes the frequency correlations of the photon pair. Recent attempts to generate a factorizable photon-pair state suitable for heralding have used short optical pump pulses from mode-locked lasers, which are much more expensive and bigger table-top or rack-sized instruments compared with the Si microchip used for generating photon pairs, and thus dominate the cost and inhibit the miniaturization of the source. Here, wemore » generate photon pairs from an Si microring resonator by using an electronic step-recovery diode to drive an electro-optic modulator which carves the pump light from a continuous-wave laser diode into pulses of the appropriate width, thus potentially eliminating the need for optical mode-locked lasers.« less
Generating photon pairs from a silicon microring resonator using an electronic step recovery diode for pump pulse generation

NASA Astrophysics Data System (ADS)

Savanier, Marc; Mookherjea, Shayan

2016-06-01

Generation of photon pairs from compact, manufacturable, and inexpensive silicon (Si) photonic devices at room temperature may help develop practical applications of quantum photonics. An important characteristic of photon-pair generation is the two-photon joint spectral intensity, which describes the frequency correlations of the photon pair. Recent attempts to generate a factorizable photon-pair state suitable for heralding have used short optical pump pulses from mode-locked lasers, which are much more expensive and bigger table-top or rack-sized instruments compared with the Si microchip used for generating photon pairs, and thus dominate the cost and inhibit the miniaturization of the source. Here, we generate photon pairs from an Si microring resonator by using an electronic step-recovery diode to drive an electro-optic modulator which carves the pump light from a continuous-wave laser diode into pulses of the appropriate width, thus potentially eliminating the need for optical mode-locked lasers.
Colour assortative pairing in a colour polymorphic lizard is independent of population morph diversity

NASA Astrophysics Data System (ADS)

Pérez i de Lanuza, Guillem; Font, Enrique; Carretero, Miguel Ángel

2016-10-01

Previous work with a colour polymorphic population of Podarcis muralis (Lacertidae) revealed that lizards pair by ventral colour, favouring the same colour (i.e. homomorphic) pairs. Such assortative pairing, which probably results in colour assortative mating, can have consequences for the genetic structure of the population and potentially promote speciation. The population previously studied, located in the Pyrenees, encompasses white, yellow and orange animals, as well as intermediate white-orange and yellow-orange morphs. However, other Pyrenean populations of P. muralis have less ventral colour morphs. Our aim in this study is to test the generality of the assortative colour pairing system, extending our previous analyses to populations with different morph compositions and frequencies. The results show that the assortative pattern of pairing is similar in all the populations analysed and, hence, independent of morph composition and not restricted to pentamorphic populations. This suggests that assortative pairing by colour is a general phenomenon for colour polymorphic populations of P. muralis.
Post-Hartree-Fock studies of the He/Mg(0001) interaction: Anti-corrugation, screening, and pairwise additivity

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

Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es; Fernández-Perea, Ricardo; Madzharova, Fani

2016-06-28

The adsorption of noble gases on metallic surfaces represents a paradigmatic case of van-der-Waals (vdW) interaction due to the role of screening effects on the corrugation of the interaction potential [J. L. F. Da Silva et al., Phys. Rev. Lett. 90, 066104 (2003)]. The extremely small adsorption energy of He atoms on the Mg(0001) surface (below 3 meV) and the delocalized nature and mobility of the surface electrons make the He/Mg(0001) system particularly challenging, even for state-of-the-art vdW-corrected density functional-based (vdW-DFT) approaches [M. P. de Lara-Castells et al., J. Chem. Phys. 143, 194701 (2015)]. In this work, we meet thismore » challenge by applying two different procedures. First, the dispersion-corrected second-order Möller-Plesset perturbation theory (MP2C) approach is adopted, using bare metal clusters of increasing size. Second, the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)] is applied at coupled cluster singles and doubles and perturbative triples level, using embedded cluster models of the metal surface. Both approaches provide clear evidences of the anti-corrugation of the interaction potential: the He atom prefers on-top sites, instead of the expected hollow sites. This is interpreted as a signature of the screening of the He atom by the metal for the on-top configuration. The strong screening in the metal is clearly reflected in the relative contribution of successively deeper surface layers to the main dispersion contribution. Aimed to assist future dynamical simulations, a pairwise potential model for the He/surface interaction as a sum of effective He–Mg pair potentials is also presented, as an improvement of the approximation using isolated He–Mg pairs.« less
Calculation of multidimensional potential energy surfaces for even-even transuranium nuclei: systematic investigation of the triaxiality effect on the fission barrier

NASA Astrophysics Data System (ADS)

Chai, Qing-Zhen; Zhao, Wei-Juan; Liu, Min-Liang; Wang, Hua-Lei

2018-05-01

Static fission barriers for 95 even-even transuranium nuclei with charge number Z = 94–118 have been systematically investigated by means of pairing self-consistent Woods-Saxon-Strutinsky calculations using the potential energy surface approach in multidimensional (β 2, γ, β 4) deformation space. Taking the heavier 252Cf nucleus (with the available fission barrier from experiment) as an example, the formation of the fission barrier and the influence of macroscopic, shell and pairing correction energies on it are analyzed. The results of the present calculated β 2 values and barrier heights are compared with previous calculations and available experiments. The role of triaxiality in the region of the first saddle is discussed. It is found that the second fission barrier is also considerably affected by the triaxial deformation degree of freedom in some nuclei (e.g., the Z=112–118 isotopes). Based on the potential energy curves, general trends of the evolution of the fission barrier heights and widths as a function of the nucleon numbers are investigated. In addition, the effects of Woods-Saxon potential parameter modifications (e.g., the strength of the spin-orbit coupling and the nuclear surface diffuseness) on the fission barrier are briefly discussed. Supported by National Natural Science Foundation of China (11675148, 11505157), the Project of Youth Backbone Teachers of Colleges and Universities of Henan Province (2017GGJS008), the Foundation and Advanced Technology Research Program of Henan Province (162300410222), the Outstanding Young Talent Research Fund of Zhengzhou University (1521317002) and the Physics Research and Development Program of Zhengzhou University (32410017)
Post-Hartree-Fock studies of the He/Mg(0001) interaction: Anti-corrugation, screening, and pairwise additivity

NASA Astrophysics Data System (ADS)

de Lara-Castells, María Pilar; Fernández-Perea, Ricardo; Madzharova, Fani; Voloshina, Elena

2016-06-01

The adsorption of noble gases on metallic surfaces represents a paradigmatic case of van-der-Waals (vdW) interaction due to the role of screening effects on the corrugation of the interaction potential [J. L. F. Da Silva et al., Phys. Rev. Lett. 90, 066104 (2003)]. The extremely small adsorption energy of He atoms on the Mg(0001) surface (below 3 meV) and the delocalized nature and mobility of the surface electrons make the He/Mg(0001) system particularly challenging, even for state-of-the-art vdW-corrected density functional-based (vdW-DFT) approaches [M. P. de Lara-Castells et al., J. Chem. Phys. 143, 194701 (2015)]. In this work, we meet this challenge by applying two different procedures. First, the dispersion-corrected second-order Möller-Plesset perturbation theory (MP2C) approach is adopted, using bare metal clusters of increasing size. Second, the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)] is applied at coupled cluster singles and doubles and perturbative triples level, using embedded cluster models of the metal surface. Both approaches provide clear evidences of the anti-corrugation of the interaction potential: the He atom prefers on-top sites, instead of the expected hollow sites. This is interpreted as a signature of the screening of the He atom by the metal for the on-top configuration. The strong screening in the metal is clearly reflected in the relative contribution of successively deeper surface layers to the main dispersion contribution. Aimed to assist future dynamical simulations, a pairwise potential model for the He/surface interaction as a sum of effective He-Mg pair potentials is also presented, as an improvement of the approximation using isolated He-Mg pairs.
Predicting pathway cross-talks in ankylosing spondylitis through investigating the interactions among pathways.

PubMed

Gu, Xiang; Liu, Cong-Jian; Wei, Jian-Jie

2017-11-13

Given that the pathogenesis of ankylosing spondylitis (AS) remains unclear, the aim of this study was to detect the potentially functional pathway cross-talk in AS to further reveal the pathogenesis of this disease. Using microarray profile of AS and biological pathways as study objects, Monte Carlo cross-validation method was used to identify the significant pathway cross-talks. In the process of Monte Carlo cross-validation, all steps were iterated 50 times. For each run, detection of differentially expressed genes (DEGs) between two groups was conducted. The extraction of the potential disrupted pathways enriched by DEGs was then implemented. Subsequently, we established a discriminating score (DS) for each pathway pair according to the distribution of gene expression levels. After that, we utilized random forest (RF) classification model to screen out the top 10 paired pathways with the highest area under the curve (AUCs), which was computed using 10-fold cross-validation approach. After 50 bootstrap, the best pairs of pathways were identified. According to their AUC values, the pair of pathways, antigen presentation pathway and fMLP signaling in neutrophils, achieved the best AUC value of 1.000, which indicated that this pathway cross-talk could distinguish AS patients from normal subjects. Moreover, the paired pathways of SAPK/JNK signaling and mitochondrial dysfunction were involved in 5 bootstraps. Two paired pathways (antigen presentation pathway and fMLP signaling in neutrophil, as well as SAPK/JNK signaling and mitochondrial dysfunction) can accurately distinguish AS and control samples. These paired pathways may be helpful to identify patients with AS for early intervention.
Adaptation to flood risk: Results of international paired flood event studies

NASA Astrophysics Data System (ADS)

Kreibich, Heidi; Di Baldassarre, Giuliano; Vorogushyn, Sergiy; Aerts, Jeroen C. J. H.; Apel, Heiko; Aronica, Giuseppe T.; Arnbjerg-Nielsen, Karsten; Bouwer, Laurens M.; Bubeck, Philip; Caloiero, Tommaso; Chinh, Do T.; Cortès, Maria; Gain, Animesh K.; Giampá, Vincenzo; Kuhlicke, Christian; Kundzewicz, Zbigniew W.; Llasat, Maria Carmen; Mârd, Johanna; Matczak, Piotr; Mazzoleni, Maurizio; Molinari, Daniela; Dung, Nguyen V.; Petrucci, Olga; Schröter, Kai; Slager, Kymo; Thieken, Annegret H.; Ward, Philip J.; Merz, Bruno

2017-10-01

As flood impacts are increasing in large parts of the world, understanding the primary drivers of changes in risk is essential for effective adaptation. To gain more knowledge on the basis of empirical case studies, we analyze eight paired floods, that is, consecutive flood events that occurred in the same region, with the second flood causing significantly lower damage. These success stories of risk reduction were selected across different socioeconomic and hydro-climatic contexts. The potential of societies to adapt is uncovered by describing triggered societal changes, as well as formal measures and spontaneous processes that reduced flood risk. This novel approach has the potential to build the basis for an international data collection and analysis effort to better understand and attribute changes in risk due to hydrological extremes in the framework of the IAHSs Panta Rhei initiative. Across all case studies, we find that lower damage caused by the second event was mainly due to significant reductions in vulnerability, for example, via raised risk awareness, preparedness, and improvements of organizational emergency management. Thus, vulnerability reduction plays an essential role for successful adaptation. Our work shows that there is a high potential to adapt, but there remains the challenge to stimulate measures that reduce vulnerability and risk in periods in which extreme events do not occur.
Electrophysiological Evidence of Early Word Learning

ERIC Educational Resources Information Center

Junge, Caroline; Cutler, Anne; Hagoort, Peter

2012-01-01

Around their first birthday infants begin to talk, yet they comprehend words long before. This study investigated the event-related potentials (ERP) responses of nine-month-olds on basic level picture-word pairings. After a familiarization phase of six picture-word pairings per semantic category, comprehension for novel exemplars was tested in a…
Improvement of encoding and retrieval in normal and pathological aging with word-picture paradigm.

PubMed

Iodice, Rosario; Meilán, Juan José G; Carro, Juan

2015-01-01

During the aging process, there is a progressive deficit in the encoding of new information and its retrieval. Different strategies are used in order to maintain, optimize or diminish these deficits in people with and without dementia. One of the classic techniques is paired-associate learning (PAL), which is based on improving the encoding of memories, but it has yet to be used to its full potential in people with dementia. In this study, our aim is to corroborate the importance of PAL tasks as instrumental tools for creating contextual cues, during both the encoding and retrieval phases of memory. Additionally, we aim to identify the most effective form of presenting the related items. Pairs of stimuli were shown to healthy elderly people and to patients with moderate and mild Alzheimer's disease. The encoding conditions were as follows: word/word, picture/picture, picture/word, and word/picture. Associative cued recall of the second item in the pair shows that retrieval is higher for the word/picture condition in the two groups of patients with dementia when compared to the other conditions, while word/word is the least effective in all cases. These results confirm that PAL is an effective tool for creating contextual cues during both the encoding and retrieval phases in people with dementia when the items are presented using the word/picture condition. In this way, the encoding and retrieval deficit can be reduced in these people.
Biomedical gait evaluation of the immediate effect of orthotic treatment for flexible flat foot.

PubMed

Leung, A K; Mak, A F; Evans, J H

1998-04-01

Flexible flat foot subjects attending the prosthetics and orthotics units come with prescriptions from orthopaedic surgeons for arch supports. Usually a pair of thermoformed plastic inserts are fabricated and fitted to treat the patients. However the effect of the orthotic treatment is not yet clear. A motion analysis system with two video cameras placed on the lateral and rear sides of the subject together with one force platform was used to investigate the immediate effects of the orthotic treatment. The force platform collected force data and the two cameras captured two-dimensional displacement data of the lower limb. Eight subjects, all having an arch index (AI) larger than 3.0 participated in the study. For each subject, three successful steps on the force platform were videotaped for both the shod (with shoe only) and the orthotic (with shoe and orthosis) conditions. The kinetic variables were normalized to individual body weight and averaged for each subject. A Paired t-test was conducted to analyse sample means of matched pairs between the shod and the orthotic conditions. The results showed changes in displacement data with relatively little change in the collected force data. The modified UCBL shoe insert evaluated significantly affected the orientation and movements of the subtalar joint, ankle joint and knee joint. These immediate effects reduced the degree and duration of abnormal pronation during the stance phase and thus had the potential for decreasing strain in the plantar ligaments and reducing abnormal tibial rotation which may be therapeutic for the foot.
Modulation of p-Cyanophenylalanine Fluorescence by Amino Acid Side-chains and Rational Design of Fluorescence Probes of α-Helix Formation

PubMed Central

Taskent-Sezgin, Humeyra; Marek, Peter; Thomas, Rosanne; Goldberg, Daniel; Chung, Juah; Carrico, Isaac; Raleigh, Daniel P.

2011-01-01

p-Cyanophenylalanine is an extremely useful fluorescence probe of protein structure which can be recombinantly and chemically incorporated into proteins. The probe has been used to study protein folding, protein-membrane interactions, protein-peptide interactions and amyloid formation, however the factors that control its fluorescence are not fully understood. Hydrogen bonding to the cyano group is known to play a major role in modulating the fluorescence quantum yield, but the role of potential side-chain quenchers has not yet been elucidated. A systematic study on the effects of different side-chains on p-cyanophenylalanine fluorescence is reported. Tyr is found to have the largest effect followed by deprotonated His, Met, Cys, protonated His, Asn, Arg, and protonated Lys. Deprotonated amino groups are much more effective fluorescence quenchers than protonated amino groups. Free neutral imidazole and hydroxide ion are also effective quenchers of p-cyanophenylalanine fluorescence with Stern-Volmer constants of 39.8 M−1 and 22.1 M−1, respectively. The quenching of p-cyanophenylalanine fluorescence by specific side-chains is exploited to develop specific, high sensitivity, fluorescence probes of helix formation. The approach is demonstrated with Ala based peptides that contain a p-cyanophenylalanine-His or a p-cyanophenylalanine-Tyr pair located at positions i and i+4. The p-cyanophenylalanine-His pair is most useful when the His side-chain is deprotonated and is, thus, complimentary to Trp-His pair which is most sensitive when the His side-chain is protonated. PMID:20565125
Effects of monoterpenoids, acting alone or in pairs, on seed germination and subsequent seedling growth.

PubMed

Vokou, Despina; Douvli, Panagiota; Blionis, George J; Halley, John M

2003-10-01

We compared the potential allelopathic activity of 47 monoterpenoids of different chemical groups, by estimating their effect on seed germination and subsequent growth of Lactuca sativa seedlings. Apart from individual compounds, eleven pairs at different proportions were also tested. As a group, the hydrocarbons, except for (+)-3-carene, were the least inhibitory. Of the oxygenated compounds, the least inhibitory were the acetates; whenever the free hydroxyl group of an alcohol turned into a carboxyl group, the activity of the resulting ester was markedly lower (against both germination and seedling growth). Twenty-four compounds were extremely active against seedling growth (inhibiting it by more than 85%), but only five against seed germination. The compounds that were most active against both processes belonged to the groups of ketones and alcohols; they were terpinen-4-ol, dihydrocarvone, and two carvone stereoisomers. We used a model to investigate whether compounds acted independently when applied in pairs. The combined effect varied. In half of the cases, it followed the pattern expected under the assumption of independence; in the rest, either synergistic or antagonistic interactions were found in both germination and elongation. However, even in cases of synergistic interactions, the level of inhibition was not comparable to that of a single extremely active compound, unless such a compound already participated in the combination. The specific structural factors that operate and determine the activity of monoterpenoids still remain rather obscure. The same holds true for the combined effect; its character cannot in general be predicted on the basis of individual compounds acting alone.
Shift in Chemical Potential of Superconducting Bi2212 Measured by Ultrafast Photoemission Spectroscopy

NASA Astrophysics Data System (ADS)

Miller, Tristan; Smallwood, Chris; Zhang, Wentao; Eisaki, Hiroshi; Lee, Dung-Hai; Lanzara, Alessandra

2015-03-01

Time- and Angle-resolved photoemission spectroscopy (tr-ARPES) has been used to directly measure the dynamics of many different properties of high-temperature superconductors, including the quasiparticle relaxation, cooper pair recombination, and many-body interactions. There have also been several intriguing results on several materials showing how laser pulses can manipulate their chemical potential on ultrafast timescales, and it's been suggested that these effects could find applications in optoelectronic devices. Studies on GaAs have also found that laser pulses may induce a surface voltage effect. Here, we extend these studies for the first time to a Bi2212 sample in the superconducting state, and disentangle the shift in chemical potential from surface voltage effects. This work was supported by Berkeley Lab's program on Quantum Materials, funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231.
A natively paired antibody library yields drug leads with higher sensitivity and specificity than a randomly paired antibody library

PubMed Central

Adler, Adam S.; Bedinger, Daniel; Adams, Matthew S.; Asensio, Michael A.; Edgar, Robert C.; Leong, Renee; Leong, Jackson; Mizrahi, Rena A.; Spindler, Matthew J.; Bandi, Srinivasa Rao; Huang, Haichun; Brams, Peter; Johnson, David S.

2018-01-01

ABSTRACT Deep sequencing and single-chain variable fragment (scFv) yeast display methods are becoming more popular for discovery of therapeutic antibody candidates in mouse B cell repertoires. In this study, we compare a deep sequencing and scFv display method that retains native heavy and light chain pairing with a related method that randomly pairs heavy and light chain. We performed the studies in a humanized mouse, using interleukin 21 receptor (IL-21R) as a test immunogen. We identified 44 high-affinity binder scFv with the native pairing method and 100 high-affinity binder scFv with the random pairing method. 30% of the natively paired scFv binders were also discovered with the randomly paired method, and 13% of the randomly paired binders were also discovered with the natively paired method. Additionally, 33% of the scFv binders discovered only in the randomly paired library were initially present in the natively paired pre-sort library. Thus, a significant proportion of “randomly paired” scFv were actually natively paired. We synthesized and produced 46 of the candidates as full-length antibodies and subjected them to a panel of binding assays to characterize their therapeutic potential. 87% of the antibodies were verified as binding IL-21R by at least one assay. We found that antibodies with native light chains were more likely to bind IL-21R than antibodies with non-native light chains, suggesting a higher false positive rate for antibodies from the randomly paired library. Additionally, the randomly paired method failed to identify nearly half of the true natively paired binders, suggesting a higher false negative rate. We conclude that natively paired libraries have critical advantages in sensitivity and specificity for antibody discovery programs. PMID:29376776
AFRRI Reports, Second Quarter 1992.

DTIC Science & Technology

1992-07-01

onvotoxbhavor The pension task), and oxotremorine -enhanced K+-evoked release and late effects of these particles on motor behavior. The of dopamine from...agonists, such as oxotremorine , can activate the het- tissue chopper, and the slices from each animal were placed into a small mreceptors. which potentiate...as well as the MATERIALS AND METHODS other components described above (pH 7.4). One chamber of the pair for each animal received 500 p0! oxotremorine
Synaptic plasticity in the hippocampal area CA1-subiculum projection: implications for theories of memory.

PubMed

O'Mara, S M; Commins, S; Anderson, M

2000-01-01

This paper reviews investigations of synaptic plasticity in the major, and underexplored, pathway from hippocampal area CA1 to the subiculum. This brain area is the major synaptic relay for the majority of hippocampal area CA1 neurons, making the subiculum the last relay of the hippocampal formation prior to the cortex. The subiculum thus has a very major role in mediating hippocampal-cortical interactions. We demonstrate that the projection from hippocampal area CA1 to the subiculum sustains plasticity on a number of levels. We show that this pathway is capable of undergoing both long-term potentiation (LTP) and paired-pulse facilitation (PPF, a short-term plastic effect). Although we failed to induce long-term depression (LTD) of this pathway with low-frequency stimulation (LFS) and two-pulse stimulation (TPS), both protocols can induce a "late-developing" potentiation of synaptic transmission. We further demonstrate that baseline synaptic transmission can be dissociated from paired-pulse stimulation of the same pathway; we also show that it is possible, using appropriate protocols, to change PPF to paired-pulse depression, thus revealing subtle and previously undescribed mechanisms which regulate short-term synaptic plasticity. Finally, we successfully recorded from individual subicular units in the freely-moving animal, and provide a description of the characteristics of such neurons in a pellet-chasing task. We discuss the implications of these findings in relation to theories of the biological consolidation of memory.
Acquisition of Conditioning between Methamphetamine and Cues in Healthy Humans

PubMed Central

Mayo, Leah M.; de Wit, Harriet

2016-01-01

Environmental stimuli repeatedly paired with drugs of abuse can elicit conditioned responses that are thought to promote future drug seeking. We recently showed that healthy volunteers acquired conditioned responses to auditory and visual stimuli after just two pairings with methamphetamine (MA, 20 mg, oral). This study extended these findings by systematically varying the number of drug-stimuli pairings. We expected that more pairings would result in stronger conditioning. Three groups of healthy adults were randomly assigned to receive 1, 2 or 4 pairings (Groups P1, P2 and P4, Ns = 13, 16, 16, respectively) of an auditory-visual stimulus with MA, and another stimulus with placebo (PBO). Drug-cue pairings were administered in an alternating, counterbalanced order, under double-blind conditions, during 4 hr sessions. MA produced prototypic subjective effects (mood, ratings of drug effects) and alterations in physiology (heart rate, blood pressure). Although subjects did not exhibit increased behavioral preference for, or emotional reactivity to, the MA-paired cue after conditioning, they did exhibit an increase in attentional bias (initial gaze) toward the drug-paired stimulus. Further, subjects who had four pairings reported “liking” the MA-paired cue more than the PBO cue after conditioning. Thus, the number of drug-stimulus pairings, varying from one to four, had only modest effects on the strength of conditioned responses. Further studies investigating the parameters under which drug conditioning occurs will help to identify risk factors for developing drug abuse, and provide new treatment strategies. PMID:27548681
Efficient genome editing by FACS enrichment of paired D10A Cas9 nickases coupled with fluorescent proteins.

PubMed

Gopalappa, Ramu; Song, Myungjae; Chandrasekaran, Arun Pandian; Das, Soumyadip; Haq, Saba; Koh, Hyun Chul; Ramakrishna, Suresh

2018-05-31

Targeted genome editing by clustered regularly interspaced short palindromic repeats (CRISPR-Cas9) raised concerns over off-target effects. The use of double-nicking strategy using paired Cas9 nickase has been developed to minimize off-target effects. However, it was reported that the efficiency of paired nickases were comparable or lower than that of either corresponding nuclease alone. Recently, we conducted a systematic comparison of the efficiencies of several paired Cas9 with their corresponding Cas9 nucleases and showed that paired D10A Cas9 nickases are sometimes more efficient than individual nucleases for gene disruption. However, sometimes the designed paired Cas9 nickases exhibited significantly lower mutation frequencies than nucleases, hampering the generation of cells containing paired Cas9 nickase-induced mutations. Here we implemented IRES peptide-conjugation of fluorescent protein to Cas9 nickase and subjected for fluorescence-activated cell sorting. The sorted cell populations are highly enriched with cells containing paired Cas9 nickase-induced mutations, by a factor of up to 40-fold as compared with the unsorted population. Furthermore, gene-disrupted single cell clones using paired nickases followed by FACS sorting strategy were generated highly efficiently, without compromising with its low off-target effects. We envision that our fluorescent protein coupled paired nickase-mediated gene disruption, facilitating efficient and highly specific genome editing in medical research.

Quantifying inbreeding avoidance through extra-pair reproduction.

PubMed

Reid, Jane M; Arcese, Peter; Keller, Lukas F; Germain, Ryan R; Duthie, A Bradley; Losdat, Sylvain; Wolak, Matthew E; Nietlisbach, Pirmin

2015-01-01

Extra-pair reproduction is widely hypothesized to allow females to avoid inbreeding with related socially paired males. Consequently, numerous field studies have tested the key predictions that extra-pair offspring are less inbred than females' alternative within-pair offspring, and that the probability of extra-pair reproduction increases with a female's relatedness to her socially paired male. However, such studies rarely measure inbreeding or relatedness sufficiently precisely to detect subtle effects, or consider biases stemming from failure to observe inbred offspring that die during early development. Analyses of multigenerational song sparrow (Melospiza melodia) pedigree data showed that most females had opportunity to increase or decrease the coefficient of inbreeding of their offspring through extra-pair reproduction with neighboring males. In practice, observed extra-pair offspring had lower inbreeding coefficients than females' within-pair offspring on average, while the probability of extra-pair reproduction increased substantially with the coefficient of kinship between a female and her socially paired male. However, simulations showed that such effects could simply reflect bias stemming from inbreeding depression in early offspring survival. The null hypothesis that extra-pair reproduction is random with respect to kinship therefore cannot be definitively rejected in song sparrows, and existing general evidence that females avoid inbreeding through extra-pair reproduction requires reevaluation given such biases. © 2014 The Author(s). Evolution © 2014 The Society for the Study of Evolution.
Stacking interactions and DNA intercalation

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

Li, Dr. Shen; Cooper, Valentino R; Thonhauser, Prof. Timo

2009-01-01

The relationship between stacking interactions and the intercalation of proflavine and ellipticine within DNA is investigated using a nonempirical van der Waals density functional for the correlation energy. Our results, employing a binary stack model, highlight fundamental, qualitative differences between base-pair base-pair interactions and that of the stacked intercalator base pair system. Most notable result is the paucity of torque which so distinctively defines the Twist of DNA. Surprisingly, this model, when combined with a constraint on the twist of the surrounding base-pair steps to match the observed unwinding of the sugar-phosphate backbone, was sufficient for explaining the experimentally observedmore » proflavine intercalator configuration. Our extensive mapping of the potential energy surface of base-pair intercalator interactions can provide valuable information for future nonempirical studies of DNA intercalation dynamics.« less
Motor Development and Physical Activity: A Longitudinal Discordant Twin-Pair Study.

PubMed

Aaltonen, Sari; Latvala, Antti; Rose, Richard J; Pulkkinen, Lea; Kujala, Urho M; Kaprio, Jaakko; Silventoinen, Karri

2015-10-01

Previous longitudinal research suggests that motor proficiency in early life predicts physical activity in adulthood. Familial effects including genetic and environmental factors could explain the association, but no long-term follow-up studies have taken into account potential confounding by genetic and social family background. The present twin study investigated whether childhood motor skill development is associated with leisure-time physical activity levels in adulthood independent of family background. Altogether, 1550 twin pairs from the FinnTwin12 study and 1752 twin pairs from the FinnTwin16 study were included in the analysis. Childhood motor development was assessed by the parents' report of whether one of the co-twins had been ahead of the other in different indicators of motor skill development in childhood. Leisure-time physical activity (MET·h·d) was self-reported by the twins in young adulthood and adulthood. Statistical analyses included conditional and ordinary linear regression models within twin pairs. Using all activity-discordant twin pairs, the within-pair difference in a sum score of motor development in childhood predicted the within-pair difference in the leisure-time physical activity level in young adulthood (P < 0.001). Within specific motor development indicators, learning to stand unaided earlier in infancy predicted higher leisure-time MET values in young adulthood statistically significantly in both samples (FinnTwin12, P = 0.02; and FinnTwin16, P = 0.001) and also in the pooled data set of the FinnTwin12 and FinnTwin16 studies (P < 0.001). Having been more agile than the co-twin as a child predicted higher leisure-time MET values up to adulthood (P = 0.03). More advanced childhood motor development is associated with higher leisure-time MET values in young adulthood at least partly independent of family background in both men and women.
Prevailing theories of consciousness are challenged by novel cross-modal associations acquired between subliminal stimuli.

PubMed

Scott, Ryan B; Samaha, Jason; Chrisley, Ron; Dienes, Zoltan

2018-06-01

While theories of consciousness differ substantially, the 'conscious access hypothesis', which aligns consciousness with the global accessibility of information across cortical regions, is present in many of the prevailing frameworks. This account holds that consciousness is necessary to integrate information arising from independent functions such as the specialist processing required by different senses. We directly tested this account by evaluating the potential for associative learning between novel pairs of subliminal stimuli presented in different sensory modalities. First, pairs of subliminal stimuli were presented and then their association assessed by examining the ability of the first stimulus to prime classification of the second. In Experiments 1-4 the stimuli were word-pairs consisting of a male name preceding either a creative or uncreative profession. Participants were subliminally exposed to two name-profession pairs where one name was paired with a creative profession and the other an uncreative profession. A supraliminal task followed requiring the timed classification of one of those two professions. The target profession was preceded by either the name with which it had been subliminally paired (concordant) or the alternate name (discordant). Experiment 1 presented stimuli auditorily, Experiment 2 visually, and Experiment 3 presented names auditorily and professions visually. All three experiments revealed the same inverse priming effect with concordant test pairs associated with significantly slower classification judgements. Experiment 4 sought to establish if learning would be more efficient with supraliminal stimuli and found evidence that a different strategy is adopted when stimuli are consciously perceived. Finally, Experiment 5 replicated the unconscious cross-modal association achieved in Experiment 3 utilising non-linguistic stimuli. The results demonstrate the acquisition of novel cross-modal associations between stimuli which are not consciously perceived and thus challenge the global access hypothesis and those theories embracing it. Copyright © 2018. Published by Elsevier B.V.
Components of productivity in black-legged kittiwakes Rissa tridactyla: Response to supplemental feeding

USGS Publications Warehouse

Gill, V.A.; Hatch, Shyla A.

2002-01-01

In contrast to the high productivity of black-legged kittiwakes in Britain, kittiwakes at many colonies in Alaska have failed chronically to reproduce since the mid 1970s. To determine if food is limiting productivity and, if so, at what stages of nesting food shortages are most severe, in 1996 and 1997 we supplementally fed kittiwakes nesting on an abandoned building. The effects of feeding were stronger in 1997 than in 1996, possibly because naturally occurring prey were of poorer quality in 1997. Consumption of supplemental herring declined as egg laying approached then increased slowly during incubation and more rapidly after hatching. All of the six components of productivity we studied were improved by supplemental feeding to some degree. Supplemental food did not significantly alter laying success in either year, although fed pairs bred at slightly higher rates than unfed pairs in 1997, the poorer food year. In 1996 and 1997, extra food noticeably increased clutch size and hatching success, but significantly so only in 1997. Fledging success and productivity were substantially augmented by feeding in both years. Fed pairs fledged twice as many chicks per nest as did unfed pairs in 1996 and three times as many in 1997. Fed and unfed pairs lost most of their potential productivity through the inability to hatch eggs, and secondarily because of their poor success at raising chicks. The benefits of supplemental feeding did not carry over from one stage of breeding to another. Pairs cut off from supplemental food after laying or hatching performed similarly to pairs that had not been previously fed. This study provides benchmark values of breeding performance attainable by kittiwakes in Alaska under optimal conditions. These values are comparable to highly productive colonies in Britain and suggest that differences in life-history characteristics between Pacific and Atlantic breeding populations are primarily controlled by food supply.
MOTOR DEVELOPMENT AND PHYSICAL ACTIVITY: A LONGITUDINAL DISCORDANT TWIN-PAIR STUDY

PubMed Central

Aaltonen, Sari; Latvala, Antti; Rose, Richard J.; Pulkkinen, Lea; Kujala, Urho M.; Kaprio, Jaakko; Silventoinen, Karri

2015-01-01

Introduction Previous longitudinal research suggests that motor proficiency in early life predicts physical activity in adulthood. Familial effects including genetic and environmental factors could explain the association, but no long-term follow-up studies have taken into account potential confounding by genetic and social family background. The present twin study investigated whether childhood motor skill development is associated with leisure-time physical activity levels in adulthood independent of family background. Methods Altogether, 1 550 twin pairs from the FinnTwin12 study and 1 752 twin pairs from the FinnTwin16 study were included in the analysis. Childhood motor development was assessed by the parents’ report of whether one of the co-twins had been ahead of the other in different indicators of motor skill development in childhood. Leisure-time physical activity (MET hours/day) was self-reported by the twins in young adulthood and adulthood. Statistical analyses included conditional and ordinary linear regression models within twin pairs. Results Using all activity-discordant twin pairs, the within-pair difference in a sum score of motor development in childhood predicted the within-pair difference in the leisure-time physical activity level in young adulthood (p<0.001). Within specific motor development indicators, learning to stand unaided earlier in infancy predicted higher leisure-time MET values in young adulthood statistically significantly in both samples (FinnTwin12 p=0.02, FinnTwin16 p=0.001) and also in the pooled dataset of the FinnTwin12 and FinnTwin16 studies (p<0.001). Having been more agile than the co-twin as a child predicted higher leisure-time MET values up to adulthood (p=0.03). Conclusions More advanced childhood motor development is associated with higher leisure-time MET values in young adulthood at least partly independent of family background, in both men and women. PMID:26378945
Effects of Emotion on Associative Recognition: Valence and Retention Interval Matter

PubMed Central

Pierce, Benton H.; Kensinger, Elizabeth A.

2011-01-01

In two experiments, we examined the effects of emotional valence and arousal on associative binding. Participants studied negative, positive, and neutral word pairs, followed by an associative recognition test. In Experiment 1, with a short-delayed test, accuracy for intact pairs was equivalent across valences, whereas accuracy for rearranged pairs was lower for negative than for positive and neutral pairs. In Experiment 2, we tested participants after a one-week delay and found that accuracy was greater for intact negative than for intact neutral pairs, whereas rearranged pair accuracy was equivalent across valences. These results suggest that, although negative emotional valence impairs associative binding after a short delay, it may improve binding after a longer delay. The results also suggest that valence, as well as arousal, needs to be considered when examining the effects of emotion on associative memory. PMID:21401233
Blocking a Redundant Cue: What does it say about preschoolers’ causal competence?

PubMed Central

Kloos, Heidi; Sloutsky, Vladimir M.

2013-01-01

The current study investigates the degree to which preschoolers can engage in causal inferences in blocking paradigm, a paradigm in which a cue is consistently linked with a target, either alone (A-T) or paired with another cue (AB-T). Unlike previous blocking studies with preschoolers, we manipulated the causal structure of the events without changing the specific contingencies. In particular, cues were said to be either potential causes (prediction condition), or they were said to be potential effects (diagnosis condition). The causally appropriate inference is to block the redundant cue B when it is a potential cause of the target, but not when it is a potential effect. Findings show a stark difference in performance between preschoolers and adults: While adults blocked the redundant cue only in the prediction condition, children blocked the redundant cue indiscriminately across both conditions. Therefore, children, but not adults ignored the causal structure of the events. These findings challenge a developmental account that attributes sophisticated machinery of causal reasoning to young children. PMID:24033577
Zika Virus Attenuation by Codon Pair Deoptimization Induces Sterilizing Immunity in Mouse Models.

PubMed

Li, Penghui; Ke, Xianliang; Wang, Ting; Tan, Zhongyuan; Luo, Dan; Miao, Yuanjiu; Sun, Jianhong; Zhang, Yuan; Liu, Yan; Hu, Qinxue; Xu, Fuqiang; Wang, Hanzhong; Zheng, Zhenhua

2018-06-20

Zika virus (ZIKV) infection during the large epidemics in the Americas is related to congenital abnormities or fetal demise. To date, there is no vaccine, antiviral drug, or other modality available to prevent or treat Zika virus infection. Here we designed novel live attenuated ZIKV vaccine candidates using a codon pair deoptimization strategy. Three codon pair-deoptimized ZIKVs (Min E, Min NS1, and Min E+NS1) were de novo synthesized, and recovered by reverse genetics, containing large amounts of underrepresented codon pairs in E gene and/or NS1 gene. Amino acid sequence was 100% unchanged. The codon pair-deoptimized variants had decreased replication fitness in Vero cells (Min NS1 ≫ Min E > Min E+NS1), replicated more efficiently in insect cells than in mammalian cells, and demonstrated diminished virulence in a mouse model. In particular, Min E+NS1, the most restrictive variant, induced sterilizing immunity with a robust neutralizing antibody titer, and a single immunization achieved complete protection against lethal challenge and vertical ZIKV transmission during pregnancy. More importantly, due to the numerous synonymous substitutions in the codon pair-deoptimized strains, reversion to wild-type virulence through gradual nucleotide sequence mutations is unlikely. Our results collectively demonstrate that ZIKV can be effectively attenuated by codon pair deoptimization, highlighting the potential of Min E+NS1 as a safe vaccine candidate to prevent ZIKV infections. IMPORTANCE Due to unprecedented epidemics of Zika virus (ZIKV) across the Americas and the unexpected clinical symptoms including Guillain-Barré syndrome, microcephaly and other birth defects in human, there is an urgent need for ZIKV vaccine development. Here, we provided the first attenuated versions of ZIKV with two important genes (E and/or NS1) that were subjected to codon pair deoptimization. Compared to parental ZIKV, the codon pair-deoptimized ZIKVs were mammalian-attenuated, and preferred insect to mammalian Cells. Min E+NS1, the most restrictive variant, induced sterilizing immunity with a robust neutralizing antibody titer, and achieved complete protection against lethal challenge and vertical virus transmission during pregnancy. More importantly, the massive synonymous mutational approach made it impossible to revert to wild-type virulence. Our results have proven the feasibility of codon pair deoptimization as a strategy to develop live-attenuated vaccine candidates against flavivirues like ZIKV, Japanese encephalitis virus and West Nile virus. Copyright © 2018 American Society for Microbiology.
Time-Resolved Magnetic Field Effects Distinguish Loose Ion Pairs from Exciplexes

PubMed Central

2013-01-01

We describe the experimental investigation of time-resolved magnetic field effects in exciplex-forming organic donor–acceptor systems. In these systems, the photoexcited acceptor state is predominantly deactivated by bimolecular electron transfer reactions (yielding radical ion pairs) or by direct exciplex formation. The delayed fluorescence emitted by the exciplex is magnetosensitive if the reaction pathway involves loose radical ion pair states. This magnetic field effect results from the coherent interconversion between the electronic singlet and triplet radical ion pair states as described by the radical pair mechanism. By monitoring the changes in the exciplex luminescence intensity when applying external magnetic fields, details of the reaction mechanism can be elucidated. In this work we present results obtained with the fluorophore-quencher pair 9,10-dimethylanthracene/N,N-dimethylaniline (DMA) in solvents of systematically varied permittivity. A simple theoretical model is introduced that allows discriminating the initial state of quenching, viz., the loose ion pair and the exciplex, based on the time-resolved magnetic field effect. The approach is validated by applying it to the isotopologous fluorophore-quencher pairs pyrene/DMA and pyrene-d10/DMA. We detect that both the exciplex and the radical ion pair are formed during the initial quenching stage. Upon increasing the solvent polarity, the relative importance of the distant electron transfer quenching increases. However, even in comparably polar media, the exciplex pathway remains remarkably significant. We discuss our results in relation to recent findings on the involvement of exciplexes in photoinduced electron transfer reactions. PMID:24041160
Evaluation of the pair-culture effect in Ophryotrocha puerilis (Polychaeta: Dorvilleidae). I. Pair-culture effect and sex ratio

NASA Astrophysics Data System (ADS)

Kegel, B.; Pfannenstiel, H.-D.

1983-06-01

Pairs and larger groups of female Ophryotrocha puerilis puerilis were formed from formerly isolated specimens. Neither the diameter of the oocytes present in the coelomic fluid nor the number of setigerous segments (ss) of the partners of a newly formed pair allow us to predict which one of the two animals will exhibit sex reversal. Amputation of the palps showed that these ventrolateral appendages of the prostomium are not responsible for the transmission of the mutual influence which is exerted during the pair-culture effect. Isolated females do not produce egg masses but keep their oocytes in the body cavity until they are eventually resorbed. The shedding of oocytes in one of the females of a newly formed pair was formerly considered to be the first step in the pair-culture effect. The present results demonstrate that egg laying in these cases is unspecific and due rather to the end of isolation than to specific interactions with the partner. In groups consisting of up to 50 animals the sex ratio oscillates around 1:1. The presence of primary males does not influence the sex ratio of adult specimens, although these males are capable of fertilizing egg masses produced by adult females. As a result, a high percentage of both young and old males are found in densely populated bowls. The significance of the pair-culture effect in natural populations is discussed in the light of these findings.
Thematic relatedness production norms for 100 object concepts.

PubMed

Jouravlev, Olessia; McRae, Ken

2016-12-01

Knowledge of thematic relations is an area of increased interest in semantic memory research because it is crucial to many cognitive processes. One methodological issue that researchers face is how to identify pairs of thematically related concepts that are well-established in semantic memory for most people. In this article, we review existing methods of assessing thematic relatedness and provide thematic relatedness production norming data for 100 object concepts. In addition, 1,174 related concept pairs obtained from the production norms were classified as reflecting one of the five subtypes of relations: attributive, argument, coordinate, locative, and temporal. The database and methodology will be useful for researchers interested in the effects of thematic knowledge on language processing, analogical reasoning, similarity judgments, and memory. These data will also benefit researchers interested in investigating potential processing differences among the five types of semantic relations.
Birds choose long-term partners years before breeding

USGS Publications Warehouse

Teitelbaum, Claire S.; Converse, Sarah J.; Mueller, Thomas

2017-01-01

Pair bonds can provide social benefits to long-term monogamous species alongside their benefits for reproduction. However, little is known about when these bonds form, in particular how long they are present before breeding. Previous studies of pair formation in long-term monogamous birds have been rather data-limited, but for many migratory birds they report pair formation on the wintering grounds. We provide the first systematic investigation of prebreeding association patterns of long-term monogamous pairs by examining entire life histories based on tracking data of migratory whooping cranes, Grus americana. We found that a substantial portion (62%) of breeding pairs started associating at least 12 months before first breeding, with 16 of 58 breeding pairs beginning to associate over 2 years before first breeding. For most pairs, these associations with future breeding partners also became unique and distinguishable from association patterns with nonpartner individuals 12 months before first breeding. In addition, 60% of pair associations began before at least one partner had reached nominal sexual maturity. Most pairs began associating in the late spring upon arrival at the summer grounds, while associations beginning at other times of the year were rare. Patterns in the associations of pairs prior to breeding can point to the potential benefits of prebreeding relationships, for instance providing support in competitive interactions or increasing partner familiarity.
Does Testing Increase Spontaneous Mediation in Learning Semantically Related Paired Associates?

ERIC Educational Resources Information Center

Cho, Kit W.; Neely, James H.; Brennan, Michael K.; Vitrano, Deana; Crocco, Stephanie

2017-01-01

Carpenter (2011) argued that the testing effect she observed for semantically related but associatively unrelated paired associates supports the mediator effectiveness hypothesis. This hypothesis asserts that after the cue-target pair "mother-child" is learned, relative to restudying mother-child, a review test in which…
The Negative Repetition Effect

ERIC Educational Resources Information Center

Mulligan, Neil W.; Peterson, Daniel J.

2013-01-01

A fundamental property of human memory is that repetition enhances memory. Peterson and Mulligan (2012) recently documented a surprising "negative repetition effect," in which participants who studied a list of cue-target pairs twice recalled fewer targets than a group who studied the pairs only once. Words within a pair rhymed, and…
Recent advances in mechanism-based chemotherapy drug-siRNA pairs in co-delivery systems for cancer: A review.

PubMed

Wang, Mingfang; Wang, Jinyu; Li, Bingcheng; Meng, Lingxin; Tian, Zhaoxing

2017-09-01

Co-delivery of chemotherapy drugs and siRNA for cancer therapy has achieved remarkable results according to synergistic/combined antitumor effects, and is recognized as a promising therapeutic modality. However, little attention has been paid to the extremely complex mechanisms of chemotherapy drug-siRNA pairs during co-delivery process. Proper selection of chemotherapy drug-siRNA pairs is beneficial for achieving desirable cancer therapeutic effects. Exploring the inherent principles during chemotherapy drug-siRNA pair selection for co-delivery would greatly enhanced therapeutic efficiency. To achieve ideal results, this article will systematically review current different mechanism-based chemotherapy drug-siRNA pairs for co-delivery in cancer treatment. Large-scale library screening of recent different chemotherapy drug-siRNA pairs for co-delivery would help to establish the chemotherapy drug-siRNA pair selection principle, which could pave the way for co-delivery of chemotherapy drugs and siRNA for cancer treatment in clinic. Following the inherent principle of chemotherapy drug-siRNA pair, more effective co-delivery vectors can be designed in the future. Copyright © 2017 Elsevier B.V. All rights reserved.
A Bootstrapping Model of Frequency and Context Effects in Word Learning.

PubMed

Kachergis, George; Yu, Chen; Shiffrin, Richard M

2017-04-01

Prior research has shown that people can learn many nouns (i.e., word-object mappings) from a short series of ambiguous situations containing multiple words and objects. For successful cross-situational learning, people must approximately track which words and referents co-occur most frequently. This study investigates the effects of allowing some word-referent pairs to appear more frequently than others, as is true in real-world learning environments. Surprisingly, high-frequency pairs are not always learned better, but can also boost learning of other pairs. Using a recent associative model (Kachergis, Yu, & Shiffrin, 2012), we explain how mixing pairs of different frequencies can bootstrap late learning of the low-frequency pairs based on early learning of higher frequency pairs. We also manipulate contextual diversity, the number of pairs a given pair appears with across training, since it is naturalistically confounded with frequency. The associative model has competing familiarity and uncertainty biases, and their interaction is able to capture the individual and combined effects of frequency and contextual diversity on human learning. Two other recent word-learning models do not account for the behavioral findings. Copyright © 2016 Cognitive Science Society, Inc.
Evidence for W=0 pairing in repulsive Hubbard square and hexagonal geometries

NASA Astrophysics Data System (ADS)

Perfetto, Enrico; Stefanucci, Gianluca; Callegari, Agnese; Cini, Michele

2004-08-01

Square and hexagonal lattices with purely repulsive on-site interactions on all sites and appropriate fillings show W=0 pairing, and the effective attractive interaction is due to a symmetry driven correlation effect; the W=0 pairs are two-body singlet eigenstates of the Hamiltonian with vanishing on-site repulsion. We can set up gedanken experiments with these bound pairs. Chains of CuO 4 units connected by weak links provide a test case which displays bound pair hopping and superconducting flux quantization (SFQ). Focusing on the low-energy sector, one obtains an accurate description in terms of an effective hard-core boson Hamiltonian which naturally describes itinerant pairs and SFQ in mesoscopic rings. For the numerical calculations, we take advantage of a recently proposed exact spin-disentangled diagonalization technique which can be generally applied to many-fermion problems and drastically reduces the size of the matrices to be handled. Remarkably, the very same pairing mechanism also works neatly with the wrapped honeycomb lattice, suitable for armchair carbon nanotubes; the binding energy of W=0 pairs depends strongly on the filling and decreases towards a small but non-zero value in the graphite limit.
Reinforcing properties of an intermittent, low dose of ketamine in rats: effects of sex and cycle.

PubMed

Wright, Katherine N; Strong, Caroline E; Addonizio, Marjorie N; Brownstein, Naomi C; Kabbaj, Mohamed

2017-02-01

Repeated intermittent exposure to ketamine has rapid and long-lasting antidepressant effects, but the abuse potential has only been assessed at high doses. Furthermore, while females are more susceptible to depression and more sensitive to ketamine's antidepressant-like effects, the abuse potential for ketamine in females is unknown. The objectives of this study are to determine the reinforcing properties of low-dose intermittent ketamine in adult rats of both sexes and determine whether cycling gonadal hormones influence females' response to ketamine. In male rats, we also aimed to determine whether reinstatement to intermittent ketamine is comparable to intermittent cocaine. Male rats intravenously self-administered cocaine (0.75 mg/kg/infusion) or ketamine (0.1 mg/kg/infusion) once every fourth day, while intact cycling female rats self-administered ketamine only during preidentified stages of their 4-day estrus cycle, when gonadal hormones are either high (proestrus) or low (diestrus). After acquiring self-administration, rats underwent daily extinction training followed by cue-primed and drug-primed reinstatement to assess drug-seeking behavior. Diestrus-trained females fail to maintain ketamine self-administration and did not display reinstatement to ketamine-paired cues. Males and proestrus-trained females reinstated to ketamine-paired cues. Ketamine-primed reinstatement was dependent on simultaneous cue presentation. Male rats reinstated to cocaine priming independent of cue presentation. These findings indicate that females's responsivity to this dose of ketamine depends on stage of cycle, as only proestrus-trained females and males respond to ketamine's reinforcing effects under this treatment paradigm.
Dual targeting of therapeutics to endothelial cells: collaborative enhancement of delivery and effect

PubMed Central

Greineder, Colin F.; Brenza, Jacob B.; Carnemolla, Ronald; Zaitsev, Sergei; Hood, Elizabeth D.; Pan, Daniel C.; Ding, Bi-Sen; Esmon, Charles T.; Chacko, Ann Marie; Muzykantov, Vladimir R.

2015-01-01

Anchoring pharmacologic agents to the vascular lumen has the potential to modulate critical processes at the blood–tissue interface, avoiding many of the off-target effects of systemically circulating agents. We report a novel strategy for endothelial dual targeting of therapeutics, which both enhances drug delivery and enables targeted agents to partner enzymatically to generate enhanced biologic effect. Based on the recent discovery that paired antibodies directed to adjacent epitopes of platelet endothelial cell adhesion molecule (PECAM)-1 stimulate each other’s binding, we fused single-chain fragments (scFv) of paired anti-mouse PECAM-1 antibodies to recombinant murine thrombomodulin (TM) and endothelial protein C receptor (EPCR), endothelial membrane proteins that partner in activation of protein C (PC). scFv/TM and scFv/EPCR bound to mouse endothelial PECAM-1 with high affinity (EC50 1.5 and 3.8 nM, respectively), and codelivery induced a 5-fold increase in PC activation not seen when TM and EPCR are anchored to distinct cell adhesion molecules. In a mouse model of acute lung injury, dual targeting reduces both the expression of lung inflammatory markers and trans-endothelial protein leak by as much as 40%, as compared to either agent alone. These findings provide proof of principle for endothelial dual targeting, an approach with numerous potential biomedical applications.—Greineder, C. F., Brenza, J. B., Carnemolla, R., Zaitsev, S., Hood, E. D., Pan, D. C., Ding, B.-S., Esmon, C. T., Chacko, A. M., Muzykantov, V. R. Dual targeting of therapeutics to endothelial cells: collaborative enhancement of delivery and effect. PMID:25953848

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