pinecone/core-2020-05-10-deduplication huggingface dataset:
Remote electrochemical modulation of pKa in a rotaxane by co-conformational allostery

Allosteric control, one of Nature’s most effective ways to regulate functions in biomolecular machinery, involves the transfer of information between distant sites. The mechanistic details of such a transfer are still object of intensive investigation and debate, and the idea that the intramolecular communication could be enabled by dynamic processes is gaining attention as a complement to traditional explanations. Mechanically interlocked molecules, owing to the particular kind of connection between their components and the resulting dynamic behavior, are attractive systems to investigate allosteric mechanisms and exploit them to develop functionalities with artificial species. We show that the pKa of an ammonium site located on the axle component of a [2]rotaxane can be reversibly modulated by changing the affinity of a remote recognition site for the interlocked crown ether ring through electrochemical stimulation. The use of a reversible ternary redox switch enables us to set the pKa to three different values, encompassing more than 7 units. Our results demonstrate that in the axle the two sites do not communicate, and that in the rotaxane the transfer of information between them is made possible by the shuttling of the ring, that is, by a dynamic intramolecular process. The investigated coupling of electron- and proton-transfer reactions is reminiscent of the operation of the protein complex I of the respiratory chain
The invasion of plant communities following extreme weather events under ambient and elevated temperature

Erworben im Rahmen der Schweizer Nationallizenzen (http://www.nationallizenzen.ch)Although the problem of plant invasions is expected to increase with climate change, there is as yet little experimental evidence, in particular, for the effects of extreme weather events. We established communities of European meadow species, which were subjected to warming and extreme event (drought and deluge) treatments in a factorial design at an experimental garden in Zurich, Switzerland. Phylogenetically matched pairs of native and alien species (Bromus erectus, B. inermis, Trifolium pratense, T. hybridum, Lactuca serriola, and Conyza canadensis) were introduced into the communities to test if invader performance is favored by warming and extreme events, and if alien invaders perform better than native colonizers. With a warming of on average 0.3 °C, a higher cover of native plant communities was observed, while drought decreased cover in the short-term and lowered biomass. Germination, survival, and growth of the introduced species were lower under elevated temperature. Survival of all pairs and growth of Trifolium was greater in drought pots, while deluge had no effect. While the alien species showed a faster rate of increase in the number of leaves, mortality of alien species was greater than of native species. Overall, the performance of the focal species varied much more among taxonomic groups than native/alien provenances. The results suggest that with climate change, different types of extreme events will differ in the severity of their effects on native plant communities. Meanwhile, the effects of climate change on plant invasions are more likely to operate indirectly through the impacts on native vegetation
Modelling technique for the assessment of the sub-soil drain for groundwater seepage remediation

Groundwater simulation technique was carried out for
examining the performance of sub-soil drain at problematic site area. Subsoil
drain was proposed as one of solution for groundwater seepage
occurred at the slope face by reducing groundwater table at Taman Botani
Park Kuala Lumpur. The simulation technique used Modular Three-
Dimensional Finite Difference Groundwater Flow (MODFLOW) software.
In transient conditions, the results of simulation showed that heads
increases surpass 1 to 2 m from the elevation level of the slope area that
caused groundwater seepage on slope face. This study attempt to decrease
the heads increase surpass by using different sub-soil drain size in
simulation technique. The sub-soil drain capable to decline the heads
ranges of 1 to 2 m
Surface analysis of Fe-Co-Mo electrolytic coatings

Coatings Fe-Co-Mo with a composition of 47 at.% iron, 28 at.% Cobalt and 25 at.% Molybdenum were deposited from citrate electrolyte using pulse electrolysis mode. Scanning electron and atomic force microscopy have established the surface morphology and topography. It was identified the parts with a globular structure which have an average size of 0.2-0.5μm and singly located sharp grains. Within the same scan area sites with developed surface were detected the topography of which is identical to the crystal structure of cobalt with the crystallites size of 0.2–1.75μm. The parameters Ra and Rq for parts with different morphology as well as average characteristics of coatings demonstrated the low roughness of the surface. It is found that the coercive force of Fe-Co-Mo films is 7-10 Oe, which allow us to classify the Fe-Co-Mo coatings as soft magnetic materials
Data reduction problems using a 3 holes directional pressure probe to investigate mean flow characteristics in the vaneless gap between impeller and diffuser radial pump

Among several different measurement techniques that have been already performed and presented in a radial impeller pump model including PIV, a directional pressure probe has been used to obtain mean velocity field and stagnation pressure between impeller outlet  and the inlet vaned diffuser sections. These measurements are supposed to get more information not only about global pump head coefficient including vaned diffuser ones but also about impeller performances itself. Pressure probe information is affected by rotor-stator interactions and impeller rotation, and this paper presents a way to explain and correct pressure probe indications  in order to achieve a better evaluation of overall impeller mean performances. The use of unsteady RANS calculation results is found to be a useful way to perform better data reduction analysis for this purpos
P2P assisted streaming for low popularity VoD contents

The Video on Demand (VoD) service is becoming a dominant service in the telecommunication market due to the great convenience regarding the choice of content items and their independent viewing time. However, due to its high traffic demand nature, the VoD streaming systems are faced with the problem of huge amounts of traffic generated in the core of the network, especially for serving the requests for content items that are not in the top popularity range. Therefore, we propose a peer assisted VoD model that takes advantage of the clients unused uplink and storage capacity to serve requests for less popular items with the objective to keep the traffic on the periphery of the network, reduce the transport cost in the core of the network and make the system more scalable
On the trail of pulmonary tuberculosis based on rib lesions: Results from the human identified skeletal collection from the Museu Bocage (Lisbon, Portugal)

In the last 20 years, studies on human identified skeletal collections have revealed a significant relationship between new bone formation on the visceral surface of ribs and pulmonary tuberculosis (TB). To improve methods of differential diagnosis of respiratory diseases in archaeological skeletons, an investigation was conducted on 197 individuals from the Human Identified Skeletal Collection of the Museu Bocage (Lisbon, Portugal). This sample included 109 males and 88 females who lived during the 19th-20th centuries, with ages at death ranging from 13-88 years. The skeletons were grouped according to cause of death: 1) pulmonary TB (N = 84); 2) pulmonary non-TB diseases (N = 49); and 3) a control group (N = 64) composed of individuals randomly selected among the extrapulmonary non-TB causes of death. The ribs, sterna, scapulae, and clavicles were macroscopically observed. New bone formation on the visceral surface of ribs was recorded in 90.5% (76/84) of individuals who died from pulmonary TB, in 36.7% (18/49) with a pulmonary non-TB disease as cause of death, and in 25.0% (16/64) of the control group. These differences were statistically significant (P < 0.001). Furthermore, in individuals with pulmonary TB, the bony lesions presented mainly as lamellar bone on the vertebral end of the upper and middle thoracic rib cage. Proliferative alterations also occurred on one sternum and in nine clavicles and eight scapulae. This work strongly supports the results of similar studies performed on other documented collections, suggesting that new bone formation on ribs, although not pathognomonic, is a useful criterion for the differential diagnosis of pulmonary TB. Am J Phys Anthropol, 2006. © 2005 Wiley-Liss, Inc.http://dx.doi.org/10.1002/ajpa.2030
Multiple- and single-objective approaches to laminate optimization with genetic algorithms

In this paper an application of a genetic algorithm to a material- and sizing-optimization problem of a plate is described. This approach has obvious advantages: it does not require any derivative information and it does not impose any restriction, in terms of convexity, on the solution space. The plate optimization problem is firstly formulated as a constrained mixed-integer programming problem with a single objective function. An alternative multiobjective formulation of the problem in which some constraints are included as additional objectives is also presented. Some numerical results are included that show the appropriateness of the algorithm and of the mathematical model for the solution of this optimization problem, as well as the superiority of the multiobjective approach.http://dx.doi.org/10.1007/s00158-003-0355-
Contributing to accurate high pressure viscosity measurements: Vibrating wire viscometer and falling body viscometer techniques

Producción CientíficaTwo new techniques for measuring viscosities at high pressure have been implemented at the
TERMOCAL laboratory in order to obtain accurate values of thermophysical properties such as
viscosity, especially at high pressures.
A vibrating-wire viscometer has been developed to accurately measure viscosities over the
working ranges T = (283.15 to 423.15) K and p = (0.1 to 140) MPa. The setup of the equipment
includes calibration with toluene and its validation with n-dodecane.
A falling body viscometer able to measure viscosities at T = (253.15 to 523.15) K and p = (0.1 to 140) MPa is also presented in this work. Results of calibration with toluene and its verification with n-heptane and n-dodecane are reported.
The detailed uncertainty budgets for both techniques are included in this work. Moreover, the
paper studies the compatibility of the results obtained using both techniques according to their
corresponding uncertainties in order to obtain reliable data. New viscosity measurements of
1,2,4-trimethylbenzene and 2,2,4-trimethylpentane have been performed and included in the
paper.2017-12-29Ministerio de Educación (Spanish Government) for his FPU scholarship for doctoral studiesConsejería de Educación de la JCyL for project VA295U1
Longitudinal photocurrent spectroscopy of a single GaAs/AlGaAs v-groove
  quantum wire

Modulation-doped GaAs v-groove quantum wires (QWRs) have been fabricated with
novel electrical contacts made to two-dimensional electron-gas (2DEG)
reservoirs. Here, we present longitudinal photocurrent (photoconductivity/PC)
spectroscopy measurements of a single QWR. We clearly observe conductance in
the ground-state one-dimensional subbands; in addition, a highly
temperature-dependent response is seen from other structures within the
v-groove. The latter phenomenon is attributed to the effects of structural
topography and localization on carrier relaxation. The results of
power-dependent PC measurements suggest that the QWR behaves as a series of
weakly interacting localized states, at low temperatures
The Shimura-Taniyama Conjecture and Conformal Field Theory

The Shimura-Taniyama conjecture states that the Mellin transform of the Hasse-Weil L-function of any elliptic curve defined over the rational numbers is a modular form. Recent work of Wiles, Taylor-Wiles and Breuil-Conrad-Diamond-Taylor has provided a proof of this longstanding conjecture. Elliptic curves provide the simplest framework for a class of Calabi-Yau manifolds which have been conjectured to be exactly solvable. It is shown that the Hasse-Weil modular form determined by the arithmetic structure of the Fermat type elliptic curve is related in a natural way to a modular form arising from the character of a conformal field theory derived from an affine Kac-Moody algebra
Hydrogen atom in crossed electric and magnetic fields: Phase space
  topology and torus quantization via periodic orbits

A hierarchical ordering is demonstrated for the periodic orbits in a strongly
coupled multidimensional Hamiltonian system, namely the hydrogen atom in
crossed electric and magnetic fields. It mirrors the hierarchy of broken
resonant tori and thereby allows one to characterize the periodic orbits by a
set of winding numbers. With this knowledge, we construct the action variables
as functions of the frequency ratios and carry out a semiclassical torus
quantization. The semiclassical energy levels thus obtained agree well with
exact quantum calculations
Limiting the spread of disease through altered migration patterns

We consider a model for an epidemic in a population that occupies
geographically distinct locations. The disease is spread within subpopulations
by contacts between infective and susceptible individuals, and is spread
between subpopulations by the migration of infected individuals. We show how
susceptible individuals can act collectively to limit the spread of disease
during the initial phase of an epidemic, by specifying the distribution that
minimises the growth rate of the epidemic when the infectives are migrating so
as to maximise the growth rate. We also give an explicit strategy that
minimises the basic reproduction number, which is also shown be optimal in
terms of the probability of extinction and total size of the epidemic
Asynchronous Networks and Event Driven Dynamics

Real-world networks in technology, engineering and biology often exhibit
dynamics that cannot be adequately reproduced using network models given by
smooth dynamical systems and a fixed network topology. Asynchronous networks
give a theoretical and conceptual framework for the study of network dynamics
where nodes can evolve independently of one another, be constrained, stop, and
later restart, and where the interaction between different components of the
network may depend on time, state, and stochastic effects. This framework is
sufficiently general to encompass a wide range of applications ranging from
engineering to neuroscience. Typically, dynamics is piecewise smooth and there
are relationships with Filippov systems. In the first part of the paper, we
give examples of asynchronous networks, and describe the basic formalism and
structure. In the second part, we make the notion of a functional asynchronous
network rigorous, discuss the phenomenon of dynamical locks, and present a
foundational result on the spatiotemporal factorization of the dynamics for a
large class of functional asynchronous networks
Reply to Comment on ``Towards a large deviation theory for strongly correlated systems''

The computational study commented by Touchette opens the door to a desirable generalization of standard large deviation theory for special, though ubiquitous, correlations. We focus on three interrelated aspects: (i) numerical results strongly suggest that the standard exponential probability law is asymptotically replaced by a power-law dominant term; (ii) a subdominant term appears to reinforce the thermodynamically extensive entropic nature of q-generalized rate function; (iii) the correlations we discussed, correspond to Q -Gaussian distributions, differing from Lévy?s, except in the case of Cauchy?Lorentz distributions. Touchette has agreeably discussed point (i), but, unfortunately, points (ii) and (iii) escaped to his analysis. Claiming the absence of connection with q-exponentials is unjustified
Punishing and abstaining for public goods

The evolution of cooperation within sizable groups of  nonrelated humans offers many challenges for our understanding. Current research has highlighted two factors boosting cooperation in public goods interactions, namely, costly punishment of defectors and the option to abstain from the joint enterprise. A recent modeling approach has suggested that the autarkic option acts as a catalyzer for the ultimate fixation of altruistic punishment. We present an alternative, more microeconomically based  model that yields a bistable outcome instead. Evolutionary dynamics can lead either to a Nash equilibrium of punishing and nonpunishing cooperators or to an oscillating state without punishers
The running coupling of 8 flavors and 3 colors

We compute the renormalized running coupling of SU(3) gauge theory coupled to Nf = 8 flavors of massless fundamental Dirac fermions. The recently proposed finite volume gradient flow scheme is used. The calculations are performed at several lattice spacings allowing for a controlled continuum extrapolation. The results for the discrete β-function show that it is monotonic without any sign of a fixed point in the range of couplings we cover. As a cross check the continuum results are compared with the well-known perturbative continuum β-function for small values of the renormalized coupling and perfect agreement is found
Effective field theory of relativistic quantum hall systems

Motivated by the observation of the fractional quantum Hall effect in graphene, we consider the effective field theory of relativistic quantum Hall states. We find that, beside the Chern-Simons term, the effective action also contains a term of topological nature, which couples the electromagnetic field with a topologically conserved current of 2 + 1 dimensional relativistic fluid. In contrast to the Chern-Simons term, the new term involves the spacetime metric in a nontrivial way. We extract the predictions of the effective theory for linear electromagnetic and gravitational responses. For fractional quantum Hall states at the zeroth Landau level, additional holomorphic constraints allow one to express the results in terms of two dimensionless constants of topological nature
Thermodynamics of the BMN matrix model at strong coupling

We construct the black hole geometry dual to the deconfined phase of the BMN matrix model at strong ’t Hooft coupling. We approach this solution from the limit of large temperature where it is approximately that of the non-extremal D0-brane geometry with a spherical S 8 horizon. This geometry preserves the SO(9) symmetry of the matrix model trivial vacuum. As the temperature decreases the horizon becomes deformed and breaks the SO(9) to the SO(6) × SO(3) symmetry of the matrix model. When the black hole free energy crosses zero the system undergoes a phase transition to the confined phase described by a Lin-Maldacena geometry. We determine this critical temperature, whose computation is also within reach of Monte Carlo simulations of the matrix model
Mechanism analysis of photoleakage current in ZnO thin-film transistors using device simulation

We analyzed the photoleakage current (Ileak) in ZnO thin-film transistors using device simulation. The dependences of Ileak on the location of light irradiation and drain voltage are reproduced by considering a Schottky barrier at the source contact using a two-dimensional device simulation. First, carrier generation is induced by light irradiation, the generated holes accumulate near the source contact, and some of these are captured in the donor traps. Next, the Schottky barrier becomes narrow, and electron injection increases via a tunneling effect. This discussion also suggests that the off-current is exceedingly low because the Schottky barrier prevents electron injection
Mixing performance evaluation of additive manufactured milli-scale reactors

The mixing performance of three passive milli-scale reactors with different geometries was investigated at different Reynolds numbers. The effects of design and operating characteristics such as mixing channel shape and volume flow rate were investigated. The main objective of this work was to demonstrate a process design method that uses on Computational Fluid Dynamics (CFD) for modeling and Additive Manufacturing (AM) technology for manufacture. The reactors were designed and simulated using SolidWorks and Fluent 15.0 software, respectively. Manufacturing of the devices was performed with an EOS M-series AM system. Step response experiments with distilled Millipore water and sodium hydroxide solution provided time-dependent concentration profiles. Villermaux-Dushman reaction experiments were also conducted for additional verification of CFD results and for mixing efficiency evaluation of the different geometries. Time-dependent concentration data and reaction evaluation showed that the performance of the AM-manufactured reactors matched the CFD results reasonably well. The proposed design method allows the implementation of new and innovative solutions, especially in the process design phase, for industrial scale reactor technologies. In addition, rapid implementation is another advantage due to the virtual flow design and due to the fast manufacturing which uses the same geometric file formats.Publishers versio
The Pearson system of utility functions

This paper describes a parametric family of utility functions for decision analysis. The parameterization embeds the HARA class in a four-parameter representation for the risk aversion function. The resulting utility functions can have only four shapes: concave, convex, S-shaped, and reverse S-shaped. This makes the family suited for both expected utility and prospect theory. The paper also describes an alternative technique to estimate the four parameters from elicited utilities, which is simpler than standard fitting by minimization of the mean quadratic error
Recent changes of the Earth's core derived from satellite observations of magnetic and gravity fields

International audienceTo understand the dynamics of the Earth's fluid, iron-rich outer core, only indirect observations are available. The Earth's magnetic field, originating mainly within the core, and its temporal variations can be used to infer the fluid motion at the top of the core, on a decadal and subdecadal timescale. Gravity variations resulting from changes in the mass distribution within the Earth may also occur on the same timescales. Such variations include the signature of the flow inside the core, though they are largely dominated by the water cycle contributions. Our study is based on 8 y of high-resolution, high-accuracy magnetic and gravity satellite data, provided by the CHAMP and GRACE missions. From the newly derived geomagnetic models we have computed the core magnetic field, its temporal variations, and the core flow evolution. From the GRACE CNES/GRGS series of time variable geoid models, we have obtained interannual gravity models by using specifically designed postprocessing techniques. A correlation analysis between the magnetic and gravity series has demonstrated that the interannual changes in the second time derivative of the core magnetic field under a region from the Atlantic to Indian Ocean coincide in phase with changes in the gravity field. The order of magnitude of these changes and proposed correlation are plausible, compatible with a core origin; however, a complete theoretical model remains to be built. Our new results and their broad geophysical significance could be considered when planning new Earth observation space missions and devising more sophisticated Earth's interior models. Earth's interior ∣ core dynamic