cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Additional file 1 of A randomised controlled trial of acceptance and commitment therapy plus usual care compared to usual care alone for improving psychological health in people with motor neuron disease (COMMEND): study protocol
Creators: name: Gould, Rebecca L.
name: Thompson, Benjamin J.
name: Rawlinson, Charlotte
name: Kumar, Pavithra
name: White, David
name: Serfaty, Marc A.
name: Graham, Christopher D.
name: McCracken, Lance M.
name: Bursnall, Matt
name: Bradburn, Mike
name: Young, Tracey
name: Howard, Robert J.
name: Al-Chalabi, Ammar
name: Goldstein, Laura H.
name: Lawrence, Vanessa
name: Cooper, Cindy
name: Shaw, Pamela J.
name: McDermott, Christopher J.
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy

description: Additional file 1. WHO Trial Registration Data Set.
Eye gaze is not special: The reversed spatial Stroop effect on gaze and tongue targets
Creators: name: Tanaka, Yoshihiko
Publisher: name: OSF Registries
Year: 2023
Subjects: subject: Cognitive Psychology
subject: Cognition and Perception
subject: Social and Behavioral Sciences
subject: Psychology
subject: FOS: Psychology
subject: arrow
subject: gaze
subject: social attention
subject: spatial Stroop task

description: In the spatial Stroop task, an arrow target produces a spatial Stroop effect, whereas a gaze target elicits a reversed spatial Stroop effect. The reversed spatial Stroop effect has been explained by the unique attentional mechanisms of eye gaze. However, recent studies have shown that not only gaze but arrow targets produced a reversed spatial Stroop effect when embedded in a complex background. The present study investigated whether non-social targets produce a reversed spatial Stroop effect. We used the tongue, which generally does not convey social information, as a target in the spatial Stroop task, in addition to the conventional gaze and arrows. Participants judged the left/right direction of the target presented in the left or right visual field. While arrow and gaze targets replicated previous findings (spatial Stroop and reversed spatial Stroop effect, respectively), the tongue target produced a reversed spatial Stroop effect. These results are inconsistent with previous accounts emphasizing the unique status of eye gaze. We propose that temporal decay of the location code and response inhibition are responsible for the reversal of spatial interference.
Isolate record for VAFB-ISO-483
Creators: name: Holloway, Corinne
Year: 1900
Subjects: subject: Santa Barbara (County)
valueUri: https://core.tdar.org/browse/geographic-keyword/3486/santa-barbara-county
subject: Vandenberg Air Force Base (VAFB)
valueUri: https://core.tdar.org/browse/geographic-keyword/85469/vandenberg-air-force-base-vafb
subject: Vandenberg Space Force Base (VSFB)
valueUri: https://core.tdar.org/browse/geographic-keyword/85584/vandenberg-space-force-base-vsfb
subject: California (State / Territory)
valueUri: https://core.tdar.org/browse/geographic-keyword/1484/california-state-territory
subject: Chipped Stone
valueUri: https://core.tdar.org/browse/material-type/2/chipped-stone
subject: Chert
valueUri: https://core.tdar.org/browse/material-type/213/chert
subject: Reconnaissance / Survey
valueUri: https://core.tdar.org/browse/investigation-type/7/reconnaissance-survey

description: This document is the isolated find record for VAFB-ISO-483. The artifact is a brown/white Monterey chert flake.
$B^0$ and $B^0_s$ decays into $J/ψ$ $f_0(980)$ and $J/ψ$ $f_0(500)$ and the nature of the scalar resonances
Creators: name: Liang, W. H.
name: Oset, E.
Publisher: name: arXiv
Year: 2014
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: We describe the $B^0$ and $B^0_s$ decays into $J/ψ$ $f_0(500)$ and $J/ψ$ $f_0(980)$ by taking into account the dominant process for the weak decay of $B^0$ and $B^0_s$ into $J/ψ$ and a $q \bar q$ component. After hadronization of this $q \bar q$ component into pairs of pseudoscalar mesons we obtain certain weights for the meson-meson components and allow them to interact among themselves. The final state interaction of the meson-meson components, described in terms of chiral unitary theory, gives rise to the $f_0(980)$ and $f_0(500)$ resonances and we can obtain the $π^+ π^- $ invariant mass distributions after the decay of the resonances, which allows us to compare directly to the experiments. We obtain ratios of $J/ψ$ $f_0(980)$ and $J/ψ$ $f_0(500)$ for each of the $B$ decays in quantitative agreement with experiment, with the $f_0(980)$ clearly dominant in the $B^0_s$ decay and the $f_0(500)$ in the $B^0$ decay.
description: 10 pages, 5 figures, references added, minor changes to match published version
Mitigating the Hubbard Sign Problem with Complex-Valued Neural Networks
Creators: name: Rodekamp, Marcel
name: Berkowitz, Evan
name: Gäntgen, Christoph
name: Krieg, Stefan
name: Luu, Thomas
name: Ostmeyer, Johann
Publisher: name: arXiv
Year: 2022
Subjects: subject: Computational Physics (physics.comp-ph)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: High Energy Physics - Lattice (hep-lat)
subject: FOS: Physical sciences

description: Monte Carlo simulations away from half-filling suffer from a sign problem that can be reduced by deforming the contour of integration. Such a transformation, which induces a Jacobian determinant in the Boltzmann weight, can be implemented using neural networks. This additional determinant cost for a generic neural network scales cubically with the volume, preventing large-scale simulations. We implement a new architecture, based on complex-valued affine coupling layers, which reduces this to linear scaling. We demonstrate the efficacy of this method by successfully applying it to systems of different size, the largest of which is intractable by other Monte Carlo methods due to its severe sign problem.
Isolate record for VAFB-ISO-506
Creators: name: Holloway, Corinne
Year: 1900
Subjects: subject: Santa Barbara (County)
valueUri: https://core.tdar.org/browse/geographic-keyword/3486/santa-barbara-county
subject: Vandenberg Air Force Base (VAFB)
valueUri: https://core.tdar.org/browse/geographic-keyword/85469/vandenberg-air-force-base-vafb
subject: Vandenberg Space Force Base (VSFB)
valueUri: https://core.tdar.org/browse/geographic-keyword/85584/vandenberg-space-force-base-vsfb
subject: California (State / Territory)
valueUri: https://core.tdar.org/browse/geographic-keyword/1484/california-state-territory
subject: Chipped Stone
valueUri: https://core.tdar.org/browse/material-type/2/chipped-stone
subject: Chert
valueUri: https://core.tdar.org/browse/material-type/213/chert
subject: Reconnaissance / Survey
valueUri: https://core.tdar.org/browse/investigation-type/7/reconnaissance-survey

description: This document is the isolated find record for VAFB-ISO-506. The artifact is a brown Monterey chert flake.
Tight-binding theory of spin-orbit coupling in graphynes
Creators: name: van Miert, Guido
name: Juricic, Vladimir
name: Smith, Cristiane Morais
Publisher: name: arXiv
Year: 2014
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: We investigate the effects of Rashba and intrinsic spin-orbit couplings in graphynes. First, we develop a general method to address spin-orbit couplings within the tight-binding theory. Then, we apply this method to $α$, $β$, and $γ$-graphyne, and determine the SOC parameters in terms of the microscopic hopping and on-site energies. We find that for $α$-graphyne, as in graphene, the intrinsic SOC opens a non-trivial gap, whereas the Rashba SOC splits each Dirac cone into four. In $β$ and $γ$ graphyne, the Rashba SOC can lead to a Lifshitz phase transition, thus transforming the zero-gap semiconductor into a gapped system or vice versa, when pairs of Dirac cones annihilate or emerge. The existence of internal (within the benzene ring) and external SOC in these compounds allow us to explore a myriad of phases not available in graphene.
description: 25 pages, 15 figures
Podcast Production Step-by-Step
Creators: name: Ćosić, Fatima
name: Brdarević-Čeljo, Amna
name: Dubravac, Vildana
Publisher: name: Zenodo
Year: 2023

description: A practical guide for the production of podcasts. They are intended for students and are targeted to the creation of video or audio podcasts addressing the topic of language and accent discrimination.
description: Counteracting accent dIscrimination pRactiCes in Education (CIRCE) is an ERASMUS+ project co-funded by European Union under Grant Agreement no. 2022-1-IT02-KA220-SCH-000087602. Views and opinions expressed are however those of the authors only and do not necessarily reflect those of the European Union or the European Education and Culture Executive Agency (EACEA). Neither the European Union nor EACEA can be held responsible for them. Further information about the project is available at https://www.circe-project.eu/.
Isolate record for VAFB-ISO-479
Creators: name: Holloway, Corinne
Year: 1900
Subjects: subject: Santa Barbara (County)
valueUri: https://core.tdar.org/browse/geographic-keyword/3486/santa-barbara-county
subject: Vandenberg Air Force Base (VAFB)
valueUri: https://core.tdar.org/browse/geographic-keyword/85469/vandenberg-air-force-base-vafb
subject: Vandenberg Space Force Base (VSFB)
valueUri: https://core.tdar.org/browse/geographic-keyword/85584/vandenberg-space-force-base-vsfb
subject: California (State / Territory)
valueUri: https://core.tdar.org/browse/geographic-keyword/1484/california-state-territory
subject: Chipped Stone
valueUri: https://core.tdar.org/browse/material-type/2/chipped-stone
subject: Chert
valueUri: https://core.tdar.org/browse/material-type/213/chert
subject: Reconnaissance / Survey
valueUri: https://core.tdar.org/browse/investigation-type/7/reconnaissance-survey

description: This document is the isolated find record for VAFB-ISO-479. The artifacts are a brown Monterey chert flake and a gray Monterey chert flake.
The puzzle of bicriticality in the XXZ antiferromagnet
Creators: name: Aharony, A.
name: Entin-Wohlman, O.
Publisher: name: arXiv
Year: 2022
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: High Energy Physics - Lattice (hep-lat)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: Renormalization-group theory predicts that the XXZ antiferromagnet in a magnetic field along the easy Z-axis has asymptotically either a tetracritical phase-diagram or a triple point in the field-temperature plane. Neither experiments nor Monte Carlo simulations procure such phase diagrams. Instead, they find a bicritical phase-diagram. Here this discrepancy is resolved: after generalizing a ubiquitous condition identifying the tetracritical point, we employ new renormalization-group recursion relations near the isotropic fixed point, exploiting group-theoretical considerations and using accurate exponents at three dimensions. These show that the experiments and simulations results can only be understood if their trajectories flow towards the fluctuation-driven first order transition (and the associated triple point), but reach this limit only for prohibitively large system sizes or correlation lengths. In the crossover region one expects a bicritical phase diagram, as indeed is observed. A similar scenario may explain puzzling discrepancies between simulations and renormalization-group predictions for a variety of other phase diagrams with competing order parameters.
description: The details of the new remormalization group analysis are explained in detail, and quantitative estimates for bicriticality are added
Resonant Slepton Production Yields CMS $eejj$ and $ejj$ Missing $p_T$ Excesses
Creators: name: Allanach, B. C.
name: Biswas, S.
name: Mondal, S.
name: Mitra, M.
Publisher: name: arXiv
Year: 2014
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: High Energy Physics - Experiment (hep-ex)
subject: FOS: Physical sciences

description: Recent CMS searches for di-leptoquark production report local excesses of 2.4$σ$ in a $eejj$ channel and 2.6$σ$ in a $ejj$ missing $p_T$ channel. Here, we simultaneously explain both excesses with resonant slepton production in ${\mathcal R}-$parity violating supersymmetry (SUSY). We consider resonant slepton production, which decays to a lepton and a chargino/neutralino, followed by three-body decays of the neutralino/chargino via an $\mathcal{R}-$parity violating coupling. There are regions of parameter space which are also compatible at the 95% confidence level (CL) with a 2.8$σ$ $eejj$ excess in a recent CMS $W_R$ search, while being compatible with other direct search constraints. Phase-II of the GERDA neutrinoless double beta decay ($0νββ$) experiment will probe a sizeable portion of the good-fit region.
description: 5 pages, 3 figures. arXiv admin note: text overlap with arXiv:1408.5439. v2 corresponds to version accepted by Phys Rev D
Constraints on Randall-Sundrum model from the events of dijet production with QCD next-to-leading order accuracy at the LHC
Creators: name: Li, Shi Ang
name: Li, Chong Sheng
name: Li, Hai Tao
name: Gao, Jun
Publisher: name: arXiv
Year: 2014
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: We study the dijet production in Randall-Sundrum model at the LHC with QCD next-to-leading(NLO) order accuracy. Our results show that the QCD NLO corrections can increase the total cross sections by more than $80\%$ and reduce the scale dependence. We also explore in detail several important kinematic distributions at the NLO level. Moreover, we discuss the upper limits of the KK graviton excluded mass range and the allowed parameter space for the coupling constant and KK graviton mass, using the experiment data.
description: 25 pages, 15 figures; version published in PRD
KITAPXANA–MÁLIMLEME XIZMETIN KÓRSETIWDIŃ AYIRIM TENDENCIYALARI HÁM WAZIYPALARI
Creators: name: Sharipova, Dilbarxan
Publisher: name: Zenodo
Year: 2023

description: Kitapxana – málimleme xızmeti málimleme-kitapxana mákemeleri iskerliginiń tiykarǵı wazıypalarınıń biri bolıp, bul isler qanday dárejede jolǵa qoyılǵanlıǵı hám onıń sapası usı málimleme-kitapxana mákemeleriniń jámiyette tutqan ornın belgileydi. Maqalada búgingi kúnde kitapxana-málimleme xızmetinde jańa usıllardıń engiziliwi hám olardı hár tárepleme jetilistiriwdiń áhmiyeti  haqqında sóz júritiledi.
An observer cascade for velocity and multiple line estimation
Creators: name: Mateus, André
name: Lima, Pedro U.
name: Miraldo, Pedro
Publisher: name: arXiv
Year: 2022
Subjects: subject: Robotics (cs.RO)
subject: Systems and Control (eess.SY)
subject: FOS: Computer and information sciences
subject: FOS: Electrical engineering, electronic engineering, information engineering

description: Previous incremental estimation methods consider estimating a single line, requiring as many observers as the number of lines to be mapped. This leads to the need for having at least $4N$ state variables, with $N$ being the number of lines. This paper presents the first approach for multi-line incremental estimation. Since lines are common in structured environments, we aim to exploit that structure to reduce the state space. The modeling of structured environments proposed in this paper reduces the state space to $3N + 3$ and is also less susceptible to singular configurations. An assumption the previous methods make is that the camera velocity is available at all times. However, the velocity is usually retrieved from odometry, which is noisy. With this in mind, we propose coupling the camera with an Inertial Measurement Unit (IMU) and an observer cascade. A first observer retrieves the scale of the linear velocity and a second observer for the lines mapping. The stability of the entire system is analyzed. The cascade is shown to be asymptotically stable and shown to converge in experiments with simulated data.
description: Accepted for publication in 2022 IEEE's International Conference on Robotics and Automation (ICRA)
Additional file 2 of A randomised controlled trial of acceptance and commitment therapy plus usual care compared to usual care alone for improving psychological health in people with motor neuron disease (COMMEND): study protocol
Creators: name: Gould, Rebecca L.
name: Thompson, Benjamin J.
name: Rawlinson, Charlotte
name: Kumar, Pavithra
name: White, David
name: Serfaty, Marc A.
name: Graham, Christopher D.
name: McCracken, Lance M.
name: Bursnall, Matt
name: Bradburn, Mike
name: Young, Tracey
name: Howard, Robert J.
name: Al-Chalabi, Ammar
name: Goldstein, Laura H.
name: Lawrence, Vanessa
name: Cooper, Cindy
name: Shaw, Pamela J.
name: McDermott, Christopher J.
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy

description: Additional file 2. Template for intervention description and replication (TIDieR) checklist.
Dissipation in spin chains using quantized nonequilibrium thermodynamics
Creators: name: Borrelli, Massimo
name: Öttinger, Hans Christian
Publisher: name: arXiv
Year: 2022
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: We investigate the open dynamics of a chain of interacting spins using the quantized version of the GENERIC equation from classical out-of-equilibrium thermodynamics. We focus on both equilibrium and nonequilibrium scenarios for chains of different sizes. While in the equilibrium case we demonstrate thermal equilibration to the correct many-body Gibbs density matrix, in the nonequilibrium dynamics we show a ballistic-to-diffusive transition in the steady-state energy current and a scaling that is consistent with Fourier's law of heat transfer.
description: 8 pages, 6 figures
Additional file 3 of A randomised controlled trial of acceptance and commitment therapy plus usual care compared to usual care alone for improving psychological health in people with motor neuron disease (COMMEND): study protocol
Creators: name: Gould, Rebecca L.
name: Thompson, Benjamin J.
name: Rawlinson, Charlotte
name: Kumar, Pavithra
name: White, David
name: Serfaty, Marc A.
name: Graham, Christopher D.
name: McCracken, Lance M.
name: Bursnall, Matt
name: Bradburn, Mike
name: Young, Tracey
name: Howard, Robert J.
name: Al-Chalabi, Ammar
name: Goldstein, Laura H.
name: Lawrence, Vanessa
name: Cooper, Cindy
name: Shaw, Pamela J.
name: McDermott, Christopher J.
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy

description: Additional file 3. Outline of the ACT intervention adapted for plwMND.
Weakly Flux-Tunable Superconducting Qubit
Creators: name: Chávez-Garcia, José M.
name: Solgun, Firat
name: Hertzberg, Jared B.
name: Jinka, Oblesh
name: Brink, Markus
name: Abdo, Baleegh
Publisher: name: arXiv
Year: 2022
Subjects: subject: Quantum Physics (quant-ph)
subject: Superconductivity (cond-mat.supr-con)
subject: FOS: Physical sciences

description: Flux-tunable qubits are a useful resource for superconducting quantum processors. They can be used to perform cPhase gates, facilitate fast reset protocols, avoid qubit-frequency collisions in large processors, and enable certain fast readout schemes. However, flux-tunable qubits suffer from a trade-off between their tunability range and sensitivity to flux noise. Optimizing this trade-off is particularly important for enabling fast, high-fidelity, all-microwave cross-resonance gates in large, high-coherence processors. This is mainly because cross-resonance gates set stringent conditions on the frequency landscape of neighboring qubits, which are difficult to satisfy with non-tunable transmons due to their relatively large fabrication imprecision. To solve this problem, we realize a coherent, flux-tunable, transmon-like qubit, which exhibits a frequency tunability range as small as 43 MHz, and whose frequency, anharmonicity and tunability range are set by a few experimentally achievable design parameters. Such a weakly tunable qubit is useful for avoiding frequency collisions in a large lattice while limiting its susceptibility to flux noise.
Isolate record for VAFB-ISO-481
Creators: name: Holloway, Corinne
Year: 1900
Subjects: subject: Santa Barbara (County)
valueUri: https://core.tdar.org/browse/geographic-keyword/3486/santa-barbara-county
subject: Vandenberg Air Force Base (VAFB)
valueUri: https://core.tdar.org/browse/geographic-keyword/85469/vandenberg-air-force-base-vafb
subject: Vandenberg Space Force Base (VSFB)
valueUri: https://core.tdar.org/browse/geographic-keyword/85584/vandenberg-space-force-base-vsfb
subject: California (State / Territory)
valueUri: https://core.tdar.org/browse/geographic-keyword/1484/california-state-territory
subject: Chipped Stone
valueUri: https://core.tdar.org/browse/material-type/2/chipped-stone
subject: Chert
valueUri: https://core.tdar.org/browse/material-type/213/chert
subject: Reconnaissance / Survey
valueUri: https://core.tdar.org/browse/investigation-type/7/reconnaissance-survey

description: This document is the isolated find record for VAFB-ISO-481. The artifacts are two black/white banded Monterey chert flakes.
Effective non-local parity-dependent couplings in qubit chains
Creators: name: Nägele, Maximilian
name: Schweizer, Christian
name: Roy, Federico
name: Filipp, Stefan
Publisher: name: arXiv
Year: 2022
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: For the efficient implementation of quantum algorithms, practical ways to generate many-body entanglement are a basic requirement. Specifically, coupling multiple qubit pairs at once can be advantageous and can lead to multi-qubit operations useful in the construction of hardware-tailored algorithms. Here we harness the simultaneous coupling of qubits on a chain and engineer a set of non-local parity-dependent quantum operations suitable for a wide range of applications. The resulting effective long-range couplings directly implement a parametrizable Trotter-step for Jordan-Wigner fermions and can be used for simulations of quantum dynamics, efficient state generation in variational quantum eigensolvers, parity measurements for error-correction schemes, and the generation of efficient multi-qubit gates. Moreover, we present numerical simulations of the gate operation in a superconducting quantum circuit architecture, which show a high gate fidelity of $>99.9\%$ for realistic experimental parameters.
description: 4 pages, 4 figures
Primary Beam Steering Due to Field Leakage from Superconducting SHMS Magnets
Creators: name: Moore, Michael H.
name: Waidyawansa, Buddhini P.
name: Covrig, Silviu
name: Carlini, Roger
name: Benesch, Jay
Publisher: name: arXiv
Year: 2014
Subjects: subject: Accelerator Physics (physics.acc-ph)
subject: Nuclear Experiment (nucl-ex)
subject: FOS: Physical sciences

description: Simulations of the magnetic fields from the Super High Momentum Spectrometer in Hall C at Thomas Jefferson National Accelerator Facility show significant field leakage into the region of the primary beam line between the target and the beam dump. Without mitigation, these remnant fields will steer the unscattered beam enough to limit beam operations at small scattering angles. Presented here are magnetic field simulations of the spectrometer magnets and a solution using optimal placement of a minimal amount of shielding iron around the beam line.
description: Corrected two typos, JIST class
Experimental model of topological defects in Minkowski spacetime based on disordered ferrofluid: magnetic monopoles, cosmic strings and the spacetime cloak
Creators: name: Smolyaninov, Igor I.
name: Smolyaninova, Vera N.
name: Smolyaninov, Alexei I.
Publisher: name: arXiv
Year: 2014
Subjects: subject: Optics (physics.optics)
subject: General Relativity and Quantum Cosmology (gr-qc)
subject: FOS: Physical sciences

description: Cobalt nanoparticle-based ferrofluid in the presence of external magnetic field forms a self-assembled hyperbolic metamaterial. Wave equation describing propagation of extraordinary light inside the ferrofluid exhibits 2+1 dimensional Lorentz symmetry. The role of time in the corresponding effective 3D Minkowski spacetime is played by the spatial coordinate directed along the periodic nanoparticle chains aligned by the magnetic field. Here we present a microscopic study of point, linear, planar and volume defects of the nanoparticle chain structure and demonstrate that they may exhibit strong similarities with such Minkowski spacetime defects as magnetic monopoles, cosmic strings and the recently proposed spacetime cloaks. Experimental observations of such defects are described.
description: 23 pages, 6 figures
Unbiased Reduced Density Matrices and Electronic Properties from Full Configuration Interaction Quantum Monte Carlo
Creators: name: Overy, Catherine
name: Booth, George H.
name: Blunt, N. S.
name: Shepherd, James
name: Cleland, Deidre
name: Alavi, Ali
Publisher: name: arXiv
Year: 2014
Subjects: subject: Computational Physics (physics.comp-ph)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: Chemical Physics (physics.chem-ph)
subject: FOS: Physical sciences

description: Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties of electronic systems. Here, we investigate an approach for the sampling of unbiased reduced density matrices within the Full Configuration Interaction Quantum Monte Carlo dynamic, which requires only small computational overheads. This is achieved via an independent replica population of walkers in the dynamic, sampled alongside the original population. The resulting reduced density matrices are free from systematic error (beyond those present via constraints on the dynamic itself), and can be used to compute a variety of expectation values and properties, with rapid convergence to an exact limit. A quasi-variational energy estimate derived from these density matrices is proposed as an accurate alternative to the projected estimator for multiconfigurational wavefunctions, while its variational property could potentially lend itself to accurate extrapolation approaches in larger systems.
description: 13 pages, 5 figures, To be published in Journal of Chemical Physics (Accepted)
Additional file 4 of A randomised controlled trial of acceptance and commitment therapy plus usual care compared to usual care alone for improving psychological health in people with motor neuron disease (COMMEND): study protocol
Creators: name: Gould, Rebecca L.
name: Thompson, Benjamin J.
name: Rawlinson, Charlotte
name: Kumar, Pavithra
name: White, David
name: Serfaty, Marc A.
name: Graham, Christopher D.
name: McCracken, Lance M.
name: Bursnall, Matt
name: Bradburn, Mike
name: Young, Tracey
name: Howard, Robert J.
name: Al-Chalabi, Ammar
name: Goldstein, Laura H.
name: Lawrence, Vanessa
name: Cooper, Cindy
name: Shaw, Pamela J.
name: McDermott, Christopher J.
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy

description: Additional file 4. Example consent form.
Dynamic Magnetic Crossover at the Origin of the Hidden-Order in van der Waals Antiferromagnet CrSBr
Creators: name: López-Paz, Sara A.
name: Guguchia, Zurab
name: Pomjakushin, Vladimir Y.
name: Witteveen, Catherine
name: Cervellino, Antonio
name: Luetkens, Hubertus
name: Casati, Nicola
name: Morpurgo, Alberto F.
name: von Rohr, Fabian O.
Publisher: name: arXiv
Year: 2022
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: The van der Waals material CrSBr stands out as a promising two-dimensional magnet. Especially, its high magnetic ordering temperature and versatile magneto-transport properties make CrSBr an important candidate for new devices in the emergent field of two-dimensional magnetic materials. To date, the magnetic and structural properties of CrSBr have not been fully elucidated. Here, we report on the detailed temperature-dependent magnetic and structural properties of this material, by comprehensively combining neutron scattering, muon spin relaxation spectroscopy, synchrotron X-ray diffraction, and magnetization measurements. We evidence that this material undergoes a transition to an A-type antiferromagnetic state below $T_{\rm N} \approx$ 140 K, with a pronounced two-dimensional character as deduced from the determined critical exponent of $β\approx $ 0.18. In our analysis of the field-induced metamagnetic transition, we find that the ferromagnetic correlations within the monolayers persist clearly above the Néel temperature in this material. Furthermore, we unravel the low-temperature (i.e. $T < T_{\rm N}$) magnetic hidden order within the long-range magnetically ordered state. We find that it is associated to a slowing down of the magnetic fluctuations, accompanied by a continuous reorientation of the internal magnetic field. These take place upon cooling below $T_s$ $\approx$ 100 K, until a spin freezing process occurs at $T$* $\approx$ 40 K. We argue this complex dynamic behavior to reflect a magnetic crossover driven by the in-plane uniaxial anisotropy, which is ultimately caused by the mixed-anion character of the material. Our findings indicate that the magnetic and structural properties of CrSBr widen its potential application as a component for spin-based electronic devices.
Reactive oxygen species in Alzheimer's disease: studies of amyloid-beta-copper and apolipoprotein E
Creators: name: Girvan, Paul
Publisher: name: Imperial College London
Year: 2018

description: There are many hypotheses for the cause of Alzheimer’s disease. This thesis explores one such hypothesis, the metals hypothesis, and attempts to do so from a kinetic point of view. The metals hypothesis posits that Amyloid-b (Ab) can bind intrinsic metals within the brain, causing increased Ab oligomerisation, and (in the case of binding copper or iron) is able to be a source of reactive oxygen species (ROS), via redox cycling of the Ab-metal complex. In the first part of this thesis I draw comparisons between wild-type Ab and disease prone mutants, providing evidence that the disease mutants have 50% higher copper assisted dimerisation rate constants, compared to the wild-type Ab. In doing so I try to highlight the beneficial insights that a kinetic understand can afford. I explore the kinetic mechanism of AbCu redox cycling, attempting to address on what timescale the process occurs. I show that the reduction step is fairly rapid (tens of millisecond timescale), and follows a conformational selection mechanism. But that redox cycling is ultimately limited by the relatively slow oxidation. Looking further at the role of AbCu in ROS generation, I shown that AbCu is almost twice as efficient at causing lipid membrane peroxidation than uncomplexed Cu. This increased efficiency is surprising considering uncomplexed Cu can generate ROS much more rapidly than AbCu. Finally, this thesis moves on to look at apolipoprotein E (apoE), which is the biggest genetic risk factor for developing late onset AD. I explore the role of apoE as a lipoprotein and show that it displays antioxidant effects, protecting against lipid peroxidation.
Multiple source localization using spherical microphone arrays
Creators: name: Hafezi, Sina
Publisher: name: Imperial College London
Year: 2018

description: Direction-of-Arrival (DOA) estimation is a fundamental task in acoustic signal processing and is used in source separation, localization, tracking, environment mapping, speech enhancement and dereverberation. In applications such as hearing aids, robot audition, teleconferencing and meeting diarization, the presence of multiple simultaneously active sources often occurs. Therefore DOA estimation which is robust to Multi-Source (MS) scenarios is of particular importance. In the past decade, interest in Spherical Microphone Arrays (SMAs) has been rapidly grown due to its ability to analyse the sound field with equal resolution in all directions. Such symmetry makes SMAs suitable for applications in robot audition where potential variety of heights and positions of the talkers are expected. Acoustic signal processing for SMAs is often formulated in the Spherical Harmonic Domain (SHD) which describes the sound field in a form that is independent of the geometry of the SMA. DOA estimation methods for the real-world scenarios address one or more performance degrading factors such as noise, reverberation, multi-source activity or tackled problems such as source counting or reducing computational complexity. This thesis addresses various problems in MS DOA estimation for speech sources each of which focuses on one or more performance degrading factor(s). Firstly a narrowband DOA estimator is proposed utilizing high order spatial information in two computationally efficient ways. Secondly, an autonomous source counting technique is proposed which uses density-based clustering in an evolutionary framework. Thirdly, a confidence metric for validity of Single Source (SS) assumption in a Time-Frequency (TF) bin is proposed. It is based on MS assumption in a short time interval where the number and the TF bin of active sources are adaptively estimated. Finally two analytical narrowband MS DOA estimators are proposed based on MS assumption in a TF bin. The proposed methods are evaluated using simulations and real recordings. Each proposed technique outperforms comparative baseline methods and performs at least as accurately as the state-of-the-art.
Non-Thermal Electron Acceleration in Low Mach Number Collisionless Shocks. I. Particle Energy Spectra and Acceleration Mechanism
Creators: name: Guo, Xinyi
name: Sironi, Lorenzo
name: Narayan, Ramesh
Publisher: name: arXiv
Year: 2014
Subjects: subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: FOS: Physical sciences

description: Electron acceleration to non-thermal energies in low Mach number (M<5) shocks is revealed by radio and X-ray observations of galaxy clusters and solar flares, but the electron acceleration mechanism remains poorly understood. Diffusive shock acceleration, also known as first-order Fermi acceleration, cannot be directly invoked to explain the acceleration of electrons. Rather, an additional mechanism is required to pre-accelerate the electrons from thermal to supra-thermal energies, so they can then participate in the Fermi process. In this work, we use two- and three-dimensional particle-in-cell plasma simulations to study electron acceleration in low Mach number shocks. We focus on the particle energy spectra and the acceleration mechanism in a reference run with M=3 and a quasi-perpendicular pre-shock magnetic field. We find that about 15 percent of the electrons can be efficiently accelerated, forming a non-thermal power-law tail in the energy spectrum with a slope of p~2.4. Initially, thermal electrons are energized at the shock front via shock drift acceleration. The accelerated electrons are then reflected back upstream, where their interaction with the incoming flow generates magnetic waves. In turn, the waves scatter the electrons propagating upstream back toward the shock, for further energization via shock drift acceleration. In summary, the self-generated waves allow for repeated cycles of shock drift acceleration, similarly to a sustained Fermi-like process. This mechanism offers a natural solution to the conflict between the bright radio synchrotron emission observed from the outskirts of galaxy clusters and the low electron acceleration efficiency usually expected in low Mach number shocks.
description: 16 pages, 10 figures, final version accepted to ApJ
Catapulting of topological defects through elasticity bands in active nematics
Creators: name: Kumar, Nitin
name: Zhang, Rui
name: Redford, Steven A.
name: de Pablo, Juan J.
name: Gardel, Margaret L.
Publisher: name: arXiv
Year: 2022
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: Active materials are those in which individual, uncoordinated local stresses drive the material out of equilibrium on a global scale. Examples of such assemblies can be seen across scales from schools of fish to the cellular cytoskeleton and underpin many important biological processes. Synthetic experiments that recapitulate the essential features of such active systems have been the object of study for decades as their simple rules allow us to elucidate the physical underpinnings of collective motion. One system of particular interest has been active nematic liquid crystals (LCs). Because of their well understood passive physics, LCs provide a rich platform to interrogate the effects of active stress. The flows and steady state structures that emerge in an active LCs have been understood to result from a competition between nematic elasticity and the local activity. However most investigations of such phenomena consider only the magnitude of the elastic resistance and not its peculiarities. Here we investigate a nematic liquid crystal and selectively change the ratio of the material's splay and bend elasticities. We show that increases in the nematic's bend elasticity specifically drives the material into an exotic steady state where elongated regions of acute bend distortion or "elasticity bands" dominate the structure and dynamics. We show that these bands strongly influence defect dynamics, including the rapid motion or "catapulting" along the disintegration of one of these bands thus converting bend distortion into defect transport. Thus, we report a novel dynamical state resultant from the competition between nematic elasticity and active stress.
Development and application of novel crystallisation methodology to medically relevant proteins
Creators: name: Kassen, Sean Cecil
Publisher: name: Imperial College London
Year: 2019

description: X-ray crystallography is the most widely used technique for determining 3-D protein structures. Information gained from crystallography is vital to the success of rational drug design and other biotechnological applications. Crystallography relies on the production of high quality protein crystals but obtaining such crystals is a major obstacle to progress. This project tackles this problem by (i) designing, developing and validating new and improved crystallisation methodologies for obtaining high quality crystals; and (ii) applying the new techniques in addition to existing methods, to crystallise medically important proteins in order to facilitate their 3-Dimensional structure determination. Presented here is the design and validation of an improved method to slow down protein crystallisation in order to enable the growth of fewer, larger single crystals of higher quality. The method called the oil-on-drop method is a variation of the Chayen method which places an oil barrier over precipitant reservoirs in hanging drop trials. The variation consists of dispensing the oil directly onto the protein drops. This method was successfully tested and validated using five proteins, three of which are of medical relevance including a methyltransferase and an antibody-peptide complex. A comparison of the oil-on-drop method with existing standard and non-standard techniques for optimising crystal quality such as the application of nucleants and the Chayen method showed the oil-on-drop technique to be superior in many ways. Most importantly, it reproducibly yielded crystals diffracting to higher resolution of three of the proteins tested namely the methyltransferase, the complex and trypsin. In the case of the Roab13 antibody-peptide complex the crystals obtained were of the highest resolution than ever attained previously. In addition, the oil-on-drop method overcomes problems encountered by other methods. It can be used with a wider variety of precipitating agents and can be performed using robots in a high throughput mode.
Isolate record for VAFB-ISO-498
Creators: name: Holloway, Corinne
Year: 1900
Subjects: subject: Santa Barbara (County)
valueUri: https://core.tdar.org/browse/geographic-keyword/3486/santa-barbara-county
subject: Vandenberg Air Force Base (VAFB)
valueUri: https://core.tdar.org/browse/geographic-keyword/85469/vandenberg-air-force-base-vafb
subject: Vandenberg Space Force Base (VSFB)
valueUri: https://core.tdar.org/browse/geographic-keyword/85584/vandenberg-space-force-base-vsfb
subject: California (State / Territory)
valueUri: https://core.tdar.org/browse/geographic-keyword/1484/california-state-territory
subject: Chipped Stone
valueUri: https://core.tdar.org/browse/material-type/2/chipped-stone
subject: Chert
valueUri: https://core.tdar.org/browse/material-type/213/chert
subject: Reconnaissance / Survey
valueUri: https://core.tdar.org/browse/investigation-type/7/reconnaissance-survey

description: This document is the isolated find record for VAFB-ISO-498. The artifacts are a brown banded Monterey chert flake and a brown Monterey chert tabular core.
Investigating viral protein U (Vpu) of HIV-1 using all-atom molecular dynamics
Creators: name: Wang, Shukai
Publisher: name: Imperial College London
Year: 2019

description: Viral Protein U (Vpu) is an accessory protein of the HIV-1 virus and a member of the Viral Channel Forming protein (VCP) family. A HIV-1 virus with Vpu is 10 times more infectious than a Vpu deficient HIV-1 virus. Vpu consists of 81 amino acids, with one transmembrane (TM) helix close to the N-terminus and two cytoplasmic (Cyto) helices. It is involved in more than ten different activities. The most well studied functions are CD4 degradation and BST2 antagonism. Vpu also forms an ion channel. However, its functions, structure, and mechanisms currently remain unclear. This research focuses on looking for a better insight into Vpu-mediated channel activity. Computational simulations using Molecular Dynamics (MD) have provided a way to overcome the experimental limitations. AMBER is a MD package to simulate biological systems at an atomistic level of detail. Its lipid force-field, Lipid 14 (recently updated to lipid 17, unpublished) contains a range of parameters for lipid head and tail groups separately, enabling a variety of lipids to be simulated by mix-and-match different head and tail combinations. Nowadays, much longer and more accurate computational simulations can be achieved. This project has first evaluated the lipid force-field, and developed a systematic methodology to perform all-atom membrane-protein simulations. The key biological finding is that a single full-length Vpu monomer can support a pore, as opposed to the necessity for a Vpu oligomer, as has previously been suggested. The results indicate that a variety of Vpu oligomers co-exist, resulting in a range of pores with various sizes. The pores observed at higher oligomeric states are closer to a ring-like structure. The transportation of substances (K+, Cl- and POPS) across the membrane is facilitated by the Vpu-mediated pore. A cationic selectivity is observed in the spontaneous ion translocation, which is confirmed using potential-of-mean-force (PMF) simulations.
On the role of composition entropies in the statistical mechanics of polydisperse systems
Creators: name: Paillusson, Fabien
name: Pagonabarraga, Ignacio
Publisher: name: arXiv
Year: 2014
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Physical sciences

description: Polydisperse systems are commonly encountered when dealing with soft matter in general or any non simple fluid. Yet their treatment within the framework of statistical thermodynamics is a delicate task as the latter has been essentially devised for simple --- non fully polydisperse --- systems. In this paper, we address the issue of defining a non ambiguous combinatorial entropy for these systems. We do so by focusing on the general property of extensivity of the thermodynamic potentials and discussing a specific mixing experiment. This leads us to introduce the new concept of composition entropy for single phase systems that we do not assimilate to a mixing entropy. We then show that they do not contribute to the thermodynamics of the system at fixed composition and prescribe to substract $\ln N!$ from the free energy characterizing a system however polydisperse it can be. We then re-derive general expressions for the mixing entropy between any two polydisperse systems and interpret them in term of distances between probability distributions and show that one of these metrics relates naturally to a recent extension of Landauer's principle. We then propose limiting expressions for the mixing entropy in the case of mixing with equal proportion in the original compositions and finally address the challenging problem of chemical reactions.
description: 15 pages, 5 figures
Multi-scale, multidisciplinary analysis of mass-transport complex (MTC) emplacement and structure
Creators: name: Wu, Nan
Publisher: name: Imperial College London
Year: 2020

description: Mass-transport complexes (MTCs) refer to seismically-chaotic deposits generated by large-scale gravity flows, and form one of the most sedimentologically- and seismically- distinctive depositional elements in deep-water depositional systems. This thesis aims to provide a novel approach to the study of multi-scale MTCs in (i) a salt-confined minibasin, and (ii) a salt-free, relatively un-confined basin, focusing on MTC morphology, kinematic indicators, petrophysical properties and flow process. To achieve these aims, I use high-quality seismic reflection datasets, and borehole data from the northern Gulf of Mexico and offshore NW Australia to investigate: (i) the geometries, spatial distribution and kinematic indicators of MTCs; (ii) the complex interactions between the occurrence of MTCs and salt halokinesis; (iii) the petrophysical properties and sealing potenials of MTCs; and (iv) the detailed formation process of giant coherent blocks in MTCs. The first technical chapter presents a generic model that emphasises the dynamic nature of minibasin evolution, and how MTC emplacement relates to halokinetic sequence development. The second technical chapter investigates the petrophysical properties of MTCs, especially their basal shear zones. The third technical chapter investigates a submarine spread deposit that contains giant coherent blocks in a low gradient, basin floor setting. For hydrocarbon exploration, the results contribute to understanding the sealing capacity of MTCs. This includes valuable methodologies that combine seismic reflection and petrophysical data to recognise and predict the most compacted and least permeable intervals (the basal shear zone) in MTC. The recognition of the basal shear zone could help the offshore drilling community to optimise well planning and borehole stability. In terms of geohazard prevention, a better understanding of the formation of the blocks in MTCs will provide crucial information for where future failure might occur and help to reduce the damage of associated with MTCs to the offshore infrastructures (e.g. pipelines and drilling rigs).