pinecone/core-2020-05-10-deduplication huggingface dataset:
Vibrational transition moments of CH4 from first principles

AbstractNew nine-dimensional (9D), ab initio electric dipole moment surfaces (DMSs) of methane in its ground electronic state are presented. The DMSs are computed using an explicitly correlated coupled cluster CCSD(T)-F12 method in conjunction with an F12-optimized correlation consistent basis set of the TZ-family. A symmetrized molecular bond representation is used to parameterise these 9D DMSs in terms of sixth-order polynomials. Vibrational transition moments as well as band intensities for a large number of IR-active vibrational bands of 12CH4 are computed by vibrationally averaging the ab initio dipole moment components. The vibrational wavefunctions required for these averages are computed variationally using the program TROVE and a new ‘spectroscopic’ 12CH4 potential energy surface. The new DMSs will be used to produce a hot line list for 12CH4
Super-renormalizable and finite gravitational theories

AbstractWe hereby introduce and extensively study a class of non-polynomial higher derivative theories of gravity that realize a ultraviolet (UV) completion of Einstein general relativity. These theories are unitary (ghost free) and at most only one-loop divergences survive. The outcome is a class of theories super-renormalizable in even dimension and finite in odd dimension. Moreover, we explicitly prove in D=4 that there exists an extension of the theory that is completely finite and all the beta functions vanish even at one-loop. These results can be easily extended in extra dimensions and it is likely that the higher dimensional theory can be made finite, too. Therefore we have the possibility for “finite quantum gravity” in any dimension
The extended thermodynamic properties of Taub–NUT/Bolt–AdS spaces

AbstractWe investigate the extended thermodynamic properties of higher-dimensional Taub–NUT/Bolt–AdS spaces where a cosmological constant is treated as a pressure. We find a general form for thermodynamic volumes of Taub–NUT/Bolt–AdS black holes for arbitrary dimensions. Interestingly, it is found that the Taub–NUT–AdS metric has a thermodynamically stable range when the total number of dimensions is a multiple of 4 (4, 8, 12, …). We also explore their phase structure and find the first order phase transition holds for higher-dimensional cases
(Curvature)2-terms for supergravity in three dimensions

AbstractWe investigate the effect of (curvature)2-terms on N=1 and N=2 supergravity in three dimensions. We use the off-shell component fields (eμm,ψμ,S) for N=1 and (eμm,ψμ,ψμ∗,Aμ,B,B∗) for N=2 supergravity. The S,Aμ and B are respectively a real scalar, a real vector and a complex scalar auxiliary fields. Both for N=1 and N=2, only two invariant actions for (curvature)2-terms exist, while only the actions with (scalar curvature)2 are free of negative energy ghosts. Interestingly, the originally non-physical graviton and gravitino fields start propagating, together with the scalar field S for the N=1 case, or the complex scalar B and the longitudinal component ∂μAμ for N=2. These new propagating fields form two new physical massive supermultiplets of spins (12,0) with 2×(1+1) degrees of freedom for the N=1 case, and two physical massive N=2 supermultiplets of spins (12,12,0,0) with 2×(2+2) degrees of freedom for the N=2 case
On the Bargmann–Michel–Telegdi equations, and spin–orbit coupling: A tribute to Raymond Stora

AbstractThe Bargmann–Michel–Telegdi equations describing the motions of a spinning, charged, relativistic particle endowed with an anomalous magnetic moment in an electromagnetic field, are reconsidered. They are shown to duly stem from the linearization of the characteristic distribution of a presymplectic structure refining the original one of Souriau. In this model, once specialized to the case of a static electric-like field, the angular momentum and energy given by the associated moment map now correctly restore the spin–orbit coupling term. This is the state-of-the-art of unfinished joint work with Raymond Stora
Myosin XI-i Links the Nuclear Membrane to the Cytoskeleton to Control Nuclear Movement and Shape in Arabidopsis

SummaryThe cell nucleus communicates with the cytoplasm through a nucleocytoplasmic linker that maintains the shape of the nucleus and mediates its migration. In contrast to animal nuclei, which are moved by motor proteins (kinesins and dyneins) along the microtubule cytoskeleton [1, 2], plant nuclei move rapidly and farther along an actin filament cytoskeleton [3]. This implies that plants use a distinct nucleocytoplasmic linker for nuclear dynamics, although its molecular identity is unknown. Here, we describe a new type of nucleocytoplasmic linker consisting of a myosin motor and nuclear membrane proteins. In the Arabidopsis thaliana mutant kaku1, nuclear movement was impaired and the nuclear envelope was abnormally invaginated. The responsible gene was identified as myosin XI-i, which encodes a plant-specific myosin. Myosin XI-i is specifically localized on the nuclear membrane, where it physically interacts with the outer-nuclear-membrane proteins WIT1 and WIT2. Both WIT proteins are required for anchoring myosin XI-i to the nuclear membrane and for nuclear movement. A striking feature of plant cells is dark-induced nuclear positioning in mesophyll cells. A deficiency of either myosin XI-i or WIT proteins diminished dark-induced nuclear positioning. The unique nucleocytoplasmic linkage in plants might enable rapid nuclear positioning in response to environmental stimuli
Functional neuroimaging study of performances on a Go/No-go task in 6- to 7-year-old preterm children: Impact of intrauterine growth restriction

AbstractChildren born preterm, and more specifically those with intrauterine growth restriction (IUGR), are prone to exhibit scholastic difficulties and behavioral problems later in development. Neuropsychological studies showed that their deficits in response inhibition and attention could be at the heart of these difficulties. Functional magnetic resonance imaging (fMRI) studies using a Go/No-go task in preterm adolescents and adults suggest their use of an alternative neuronal pathway to compensate for a possible delayed development. However, little is known about the impact of IUGR at a functional neural network level. This study used fMRI to explore brain regions activated during a Go/No-go task in 20 preterm children aged 6–7years, 10 of which were born with IUGR. Results showed that preterm children without IUGR preferentially activated fronto-temporal regions including the inferior frontal cortex, region known to be involved in successful response inhibition. In contrast, IUGR preterm children exhibited greater activation in the putamen, in the medial frontal cortex and parietal regions, specifically involved in attention demanding tasks, some being part of the default-mode network. These findings suggest that IUGR preterm children use different brain regions and a more diffuse network to perform the task, which interfere with goal-directed activity and may reflect inefficient attentional control. The differences observed in IUGR preterm children might relate to their higher risk for neurodevelopmental and behavioral disorders
Search for dark matter in association with a Higgs boson decaying to b-quarks in pp collisions at s=13 TeV with the ATLAS detector

AbstractA search for dark matter pair production in association with a Higgs boson decaying to a pair of bottom quarks is presented, using 3.2 fb−1 of pp collisions at a centre-of-mass energy of 13 TeV collected by the ATLAS detector at the LHC. The decay of the Higgs boson is reconstructed as a high-momentum bb¯ system with either a pair of small-radius jets, or a single large-radius jet with substructure. The observed data are found to be consistent with the expected backgrounds. Results are interpreted using a simplified model with a Z′ gauge boson mediating the interaction between dark matter and the Standard Model as well as a two-Higgs-doublet model containing an additional Z′ boson which decays to a Standard Model Higgs boson and a new pseudoscalar Higgs boson, the latter decaying into a pair of dark matter particles
Fabrication of metallic magnetic nanostructures by argon ion milling using a reversed-polarity planar magnetron ion source

AbstractWe demonstrate that a planar magnetron may be used as a source of ions for milling micro- and nanostructured devices. Reversing the polarity of the magnetron head, in combination with applying a voltage bias to the thin-film sample, allows acceleration of ions produced in the Ar glow-discharge to energies suitable for pattern transfer via etching. We have fabricated generic Hall-bar and nanowire L-bar structures from sputter deposited Ta/Ni/Ta trilayer films grown onto clean GaAs(001) surfaces. No degradation of the magnetic properties or contamination of the deposition chamber vacuum is observed, demonstrating that this method is effective for etching magnetic device structures patterned by both optical- and electron-beam lithography techniques
Measurement of the W±Z boson pair-production cross section in pp collisions at s=13 TeV with the ATLAS detector

AbstractThe production of W±Z events in proton–proton collisions at a centre-of-mass energy of 13 TeV is measured with the ATLAS detector at the LHC. The collected data correspond to an integrated luminosity of 3.2 fb−1. The W±Z candidates are reconstructed using leptonic decays of the gauge bosons into electrons or muons. The measured inclusive cross section in the detector fiducial region for leptonic decay modes is σW±Z→ℓ′νℓℓfid.=63.2±3.2(stat.)±2.6(sys.)±1.5(lumi.) fb. In comparison, the next-to-leading-order Standard Model prediction is 53.4−2.8+3.6 fb. The extrapolation of the measurement from the fiducial to the total phase space yields σW±Ztot.=50.6±2.6(stat.)±2.0(sys.)±0.9(th.)±1.2(lumi.) pb, in agreement with a recent next-to-next-to-leading-order calculation of 48.2−1.0+1.1 pb. The cross section as a function of jet multiplicity is also measured, together with the charge-dependent W+Z and W−Z cross sections and their ratio
Modelling of European hake nurseries in the Mediterranean Sea: An ecological niche approach

AbstractAn ecological niche modelling (ENM) approach was developed to model the suitable habitat for the 0-group European hake, Merluccius merluccius L., 1758, in the Mediterranean Sea. The ENM was built combining knowledge on biological traits of hake recruits (e.g. growth, settlement, mobility and feeding strategy) with patterns of selected ecological variables (chlorophyll-a fronts and concentration, bottom depth, sea bottom current and temperature) to highlight favourable nursery habitats. The results show that hake nurseries require stable bottom temperature (11.8–15.0°C), low bottom currents (<0.034ms−1) and a frequent occurrence of productive fronts in low chlorophyll-a areas (0.1–0.9mgm−3) to support a successful recruitment. These conditions mostly occur recurrently in outer shelf and shelf break areas. The prediction explains the relative balance between biotic and abiotic drivers of hake recruitment in the Mediterranean Sea and the primary role of unfavourable environmental conditions on low recruitment in specific years (i.e. 2011). The ENM outputs particularly agree spatially with biomass data of recruits, although processes such as fishing and natural mortality are not accounted for. The seasonal mapping of suitable habitats provides information on potential nurseries and recruitment carrying capacity which are relevant for spatial fisheries management of hake in the Mediterranean Sea
The Capacitance and Electromechanical Coupling of Lipid Membranes Close to Transitions: The Effect of Electrostriction

AbstractBiomembranes are thin capacitors with the unique feature of displaying phase transitions in a physiologically relevant regime. We investigate the voltage and lateral pressure dependence of their capacitance close to their chain melting transition. Because the gel and the fluid membrane have different area and thickness, the capacitance of the two membrane phases is different. In the presence of external fields, charges exert forces that can influence the state of the membrane, thereby influencing the transition temperature. This phenomenon is called “electrostriction”. We show that this effect allows us to introduce a capacitive susceptibility that assumes a maximum in the melting transition with an associated excess charge. As a consequence, voltage regimes exist in which a small change in voltage can lead to a large uptake of charge and a large capacitive current. Furthermore, we consider electromechanical behavior such as pressure-induced changes in capacitance, and the application of such concepts in biology
Detecting the upturn of the solar 8B neutrino spectrum with LENA

AbstractLENA (Low Energy Neutrino Astronomy) has been proposed as a next generation 50 kt liquid scintillator detector. The large target mass allows a high precision measurement of the solar 8B neutrino spectrum, with an unprecedented energy threshold of 2 MeV. Hence, it can probe the MSW-LMA prediction for the electron neutrino survival probability in the transition region between vacuum and matter-dominated neutrino oscillations. Based on Monte Carlo simulations of the solar neutrino and the corresponding background spectra, it was found that the predicted upturn of the solar 8B neutrino spectrum can be detected with 5σ significance after 5 years
Centrality dependence of strangeness production in heavy-ion collisions as a geometrical effect of core–corona superposition

AbstractIt is shown that data on strange particle production as a function of centrality in Au–Au collisions at sNN=200 GeV can be explained with a superposition of emission from a hadron gas at full chemical equilibrium (core) and from nucleon–nucleon collisions at the boundary (corona) of the overlapping region of the two colliding nuclei. This model nicely accounts for the enhancement of ϕ meson and strange particle production as a function of centrality observed in relativistic heavy ion collisions at that energy. The enhancement is mainly a geometrical effect, that is the increasing weight of the core with respect to corona for higher centrality, while strangeness canonical suppression in the core seems to play a role only in very peripheral collisions. This model, if confirmed at lower energy, would settle the long-standing problem of strangeness under-saturation in relativistic heavy ion collisions, parametrized by γS. Furthermore, it would give a unique tool to locate the onset of deconfinement in nuclear collisions both as a function of energy and centrality if this is to be associated to the onset of the formation of a fully equilibrated core
Aspartic Acid Side Chain Effect—Experimental and Theoretical Insight

Gas-phase H/D exchange and density functional theory study of the Asp and Glu side-chain carboxylic group intrinsic reactivity is reported. H/D exchange site specific treatment and some additional theoretical calculations showed that a side-chain carboxylic group may initiate proton transfer along with bond formation to one of its oxygens, i.e., possibility to initiate selective of cleavage peptide bond (“aspartic acid effect”). That finding is used to select aspartic acid cleavage mechanisms (side-chain proton transfer either to backbone carbonyl or to amide nitrogen) for further computational study. B3LYP/6-31G(d) and G3(MP2)//B3LYP potential energy profiles of both mechanisms on a model system CH3CO-Asp-NHCH3 were constructed. Although energy employed in low-energy collision induced dissociation suffices for both mechanisms thresholds, energy transferred to specific modes suggests a complex one-step mechanism of proton transfer (from the side-chain carboxylic group to the backbone amide group), bond formation (between deprotonated carboxylic group and carbon atom of the backbone carbonyl), and peptide bond cleavage as favorable
Measurement of the branching fractions of Ds+→η′X and Ds+→η′ρ+ in e+e−→Ds+Ds−

AbstractWe study Ds+ decays to final states involving the η′ with a 482 pb−1 data sample collected at s=4.009 GeV with the BESIII detector at the BEPCII collider. We measure the branching fractions B(Ds+→η′X)=(8.8±1.8±0.5)% and B(Ds+→η′ρ+)=(5.8±1.4±0.4)% where the first uncertainty is statistical and the second is systematic. In addition, we estimate an upper limit on the non-resonant branching ratio B(Ds+→η′π+π0)<5.1% at the 90% confidence level. Our results are consistent with CLEO's recent measurements and help to resolve the disagreement between the theoretical prediction and CLEO's previous measurement of B(Ds+→η′ρ+)
The wear of PEEK in rolling–sliding contact – Simulation of polymer gear applications

AbstractThe wear and friction in the pitch region of the centre of polymer gear teeth are not well understood. The transition around this point of the tooth between rolling and sliding has an important effect on the durability of polymer gear drives and can be simulated using a twin-disc configuration. This paper investigates the rolling–sliding wear behaviour of two poly-ether-ether-ketone (PEEK) discs running against each other with a simplified method of analysing and understanding the dynamic response of high performance polymeric gear teeth.Tests were conducted without external lubrication over a range of loads and slip ratios, using a twin-disc test rig. The wear and friction mechanisms were closely related to surface morphology, with changes in crystallinity correlating with the severity of operating conditions. Observed failure mechanisms were also related to the structure of the contact surfaces, and included surface melting and contact fatigue.Overall the PEEK discs were capable of running at low slip ratios for both low and high loads. Their performance reduced with an increase of the slip ratio. The results presented can be used in conjunction with the design process to allow the PEEK to be engineered for a specific high performance gear contact conditions
Contrasting Thermodynamic, Technical and Economic Potentials: The Example of Organic Rankine Cycle Use within UK Industry

AbstractThe laws of thermodynamics set a theoretical limit on the energy savings that can be realised in a given application. This thermodynamic potential cannot be reached in practice, and a technical potential for energy savings is defined by the performance of available technology. Only applications of the technology that are considered economic will usually be considered for installation. This economic potential will itself not be fully realised, with the actual savings achieved limited by further barriers. A database on surplus heat availability within UK industry was used to estimate the thermodynamic, technical, and economic potentials when converting this surplus heat to electricity using organic Rankine cycles (ORCs). Technical and economic information was based on that reported from existing installations and manufacturers. Various parameters, such as the local price of electricity, are subject to considerable uncertainty, and so a range of possible scenarios were investigated. The results form a basis for discussion on how to close this “gap” between the identified potentials and the savings realised
Science, value and material decay in the conservation of historic environments

AbstractThe historic environment undergoes cycles of material deterioration, and these processes have a powerful impact on the meanings and values associated with it. In particular, decay informs the experience of authenticity, as a tangible mark of age and ‘the real’. This article examines the intersection between material transformation, scientific intervention and cultural value. Drawing on qualitative social research at three Scottish historic buildings, we show that there are a complex range of cultural values and qualities associated with material transformation. Furthermore, we highlight how the use of science-based conservation to characterise, and intervene in, processes of material transformation can affect these values and qualities. We argue that it is necessary and important to consider the cultural ramifications of such interventions alongside their material effects. This requires a case-by-case approach, because the cultural values and qualities associated with material transformation are context-specific and vary with different kinds of monuments and materials. We conclude with a series of recommendations aimed at integrating humanities and science-based approaches to transformation in the historic environment
Approximate min–max theorems for Steiner rooted-orientations of graphs and hypergraphs

AbstractGiven an undirected hypergraph and a subset of vertices S⊆V with a specified root vertex r∈S, the Steiner Rooted-Orientation problem is to find an orientation of all the hyperedges so that in the resulting directed hypergraph the “connectivity” from the root r to the vertices in S is maximized. This is motivated by a multicasting problem in undirected networks as well as a generalization of some classical problems in graph theory. The main results of this paper are the following approximate min–max relations:•Given an undirected hypergraph H, if S is 2k-hyperedge-connected in H, then H has a Steiner rooted k-hyperarc-connected orientation.•Given an undirected graph G, if S is 2k-element-connected in G, then G has a Steiner rooted k-element-connected orientation. Both results are tight in terms of the connectivity bounds. These also give polynomial time constant factor approximation algorithms for both problems. The proofs are based on submodular techniques, and a graph decomposition technique used in the Steiner Tree Packing problem. Some complementary hardness results are presented at the end
Endothelial dysfunction — A major mediator of diabetic vascular disease

AbstractThe vascular endothelium is a multifunctional organ and is critically involved in modulating vascular tone and structure. Endothelial cells produce a wide range of factors that also regulate cellular adhesion, thromboresistance, smooth muscle cell proliferation, and vessel wall inflammation. Thus, endothelial function is important for the homeostasis of the body and its dysfunction is associated with several pathophysiological conditions, including atherosclerosis, hypertension and diabetes. Patients with diabetes invariably show an impairment of endothelium-dependent vasodilation. Therefore, understanding and treating endothelial dysfunction is a major focus in the prevention of vascular complications associated with all forms of diabetes mellitus. The mechanisms of endothelial dysfunction in diabetes may point to new management strategies for the prevention of cardiovascular disease in diabetes. This review will focus on the mechanisms and therapeutics that specifically target endothelial dysfunction in the context of a diabetic setting. Mechanisms including altered glucose metabolism, impaired insulin signaling, low-grade inflammatory state, and increased reactive oxygen species generation will be discussed. The importance of developing new pharmacological approaches that upregulate endothelium-derived nitric oxide synthesis and target key vascular ROS-producing enzymes will be highlighted and new strategies that might prove clinically relevant in preventing the development and/or retarding the progression of diabetes associated vascular complications