cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
A modern distribution of foraminifera to reconstruct environmental change offshore Galveston Bay, Texas
Creators: name: Schilling, Solveig H.
Publisher: name: The University of Texas at Austin
Year: 2022
Subjects: Micropaleontology

description: Sand is an important resource for coastal engineering. In Texas, many offshore sand deposits are found buried in Holocene fluvial sediments or estuarine environments like tidal channels or bayhead, flood, and ebb tide deltas. Exploring for these resources requires a comprehensive understanding of the depositional system in which they are buried. The distribution of benthic foraminifera can be used to reconstruct the paleoenvironment of sand-bearing Holocene estuary deposits. The Gulf of Mexico foraminifera have long been tied to specific environments, and facies in which one genera of benthic foraminifera is most abundant (i.e., the predominance facies) represent a promising technique to reconstruct paleoenvironment in Holocene cores. Although predominance facies have been well documented in Galveston Bay, to date, there are no equivalent records directly offshore for comparison, leaving the inner shelf assemblage unconstrained. Additionally, no direct comparisons have been made between ancient estuary assemblages and the modern living assemblages in Galveston Bay. To address this knowledge gap, this project examines the environmental evolution of the Trinity River estuary using benthic foraminifera and core data. The foraminifera trends offshore Galveston Bay show a greater diversity compared to estuary samples, which is likely driven by increased salinity on the inner shelf compared to Galveston Bay. The increased diversity of inner shelf assemblages compared to those of the bay can be used for recognizing offshore assemblages as distinct from estuarine samples in core data. Additionally, the comparison of living and Holocene estuary populations shows ancient samples with much higher dominance of Elphidium than is observed in the modern bay. This non-analogue population suggests environmental conditions (likely salinity) in the Holocene Trinity River estuary varied significantly from modern conditions implying a recent environmental change in the bay.
title: ADCO, Ordre cistercien et abbaye de Cîteaux : comptes pour l'ordre (1337-1347), comptes du boursier (1377-1402) (11 H 1160), f. 00437
Creators: name: de la Côte-d'Or, Archives départementales
name: Archives Départementales De La Côte-D'Or
name: Petot, Frédérique
name: Projet CBMA
name: CBMA/CG21/F.PETOT/2017
name: Petot, Frédéric
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020
Subjects: subject: Laboratoire de Médiévistique Occidentale de Paris
subject: comptes
subject: Corpus Burgundiae Medii Aevi
subject: Chartes de la Bourgogne du Moyen Âge
subject: LaMOP

description: Ordre cistercien et abbaye de Cîteaux : comptes pour l'ordre (1337-1347), comptes du boursier (1377-1402), Archives départementales de la Côte-d'Or, (11 H 1160). Numérisation en mode image.
description: Relation: http://www.cbma-project.eu/
description: Bibliographic citation: Ordre cistercien et abbaye de Cîteaux : comptes pour l'ordre (1337-1347), comptes du boursier (1377-1402), Archives départementales de la Côte-d'Or, (11 H 1160), f. 00437, in Projet CBMA - Corpus Burgundiae Medii Aevi \[Ressource en ligne\], https:// manuscrits.cbma-project.eu/
description: Provenance: https://www.geonames.org/3024876
description: Provenance: http://www.idref.fr/030974844/id
description: Provenance: https://catalogue.bnf.fr/ark:/12148/cb12228351v
description: Provenance: abbaye de Cîteaux
description: Provenance: http://www.wikidata.org/entity/Q843261
A compressible mixture model with phase transition
Creators: name: Dreyer, Wolfgang
name: Giesselmann, Jan
name: Kraus, Christiane
Publisher: name: Weierstrass Institute
Year: 2013
Subjects: subject: Multi-component flow
subject: phase transition
subject: asymptotic analysis
subject: sharp interface limit
subject: free boundary problems
subject: Allen-Cahn equation
subject: Euler system
subject: 35C20
subject: 35R35
subject: 76T10
subject: 76T30
subject: 35Q30
subject: 35Q35
subject: 76D45
subject: 76N10
subject: 76T99
subject: 80A22
subject: 82B26

description: We introduce a new thermodynamically consistent diffuse interface model of Allen-Cahn/Navier-Stokes type for multi-component flows with phase transitions and chemical reactions. For the introduced diffuse interface model, we investigate physically admissible sharp interface limits by matched asymptotic techniques. We consider two scaling regimes, i.e. a non-dissipative and a dissipative regime, where we recover in the sharp interface limit a generalized Allen-Cahn/Euler system for mixtures with chemical reactions in the bulk phases equipped with admissible interfacial conditions. The interfacial conditions satify, for instance, a Young-Laplace and a Stefan type law.
SQUID oscillations in PbTe nanowire networks
Creators: name: Gao, Yichun
name: Song, Wenyu
name: Yu, Zehao
name: Yang, Shuai
name: Wang, Yuhao
name: Li, Ruidong
name: Chen, Fangting
name: Geng, Zuhan
name: Yang, Lining
name: Xu, Jiaye
name: Wang, Zhaoyu
name: Li, Zonglin
name: Zhang, Shan
name: Feng, Xiao
name: Wang, Tiantian
name: Zang, Yunyi
name: Li, Lin
name: Shang, Runan
name: Xue, Qi-Kun
name: He, Ke
name: Zhang, Hao
Publisher: name: arXiv
Year: 2024
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: Superconductivity (cond-mat.supr-con)
subject: FOS: Physical sciences

description: Network structures by semiconductor nanowires hold great promise for advanced quantum devices, especially for applications in topological quantum computing. In this study, we created networks of PbTe nanowires arranged in loop configurations. Using shadow-wall epitaxy, we defined superconducting quantum interference devices (SQUIDs) using the superconductor Pb. These SQUIDs exhibit oscillations in supercurrent upon the scanning of a magnetic field. Most of the oscillations can be fitted assuming a sinusoidal current-phase relation for each Josephson junction. Under certain conditions, the oscillations are found to be skewed, suggesting possible deviation from a sinusoidal behavior. Our results highlight the potential of PbTe nanowires for building complex quantum devices in the form of networks.
Design and control of spin gates in two quantum dots arrays
Creators: name: Usaj, Gonzalo
name: Balseiro, C. A.
Publisher: name: arXiv
Year: 2005
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: We study the spin-spin interaction between quantum dots coupled through a two dimensional electron gas with spin-orbit interaction. We show that the interplay between transverse electron focusing and spin-orbit coupling allows to dynamically change the symmetry of the effective spin-spin Hamiltonian. That is, the interaction can be changed from Ising-like to Heisenberg-like and vice versa. The sign and magnitude of the coupling constant can also be tuned.
description: 4 pages, 3 figures
An effective one-step hyperperpetual reduction strategy for combinators
Creators: name: Statman, Richard
Publisher: name: Carnegie Mellon University
Year: 1996
Subjects: subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics

description: Abstract: "We construct an effective one-step reduction strategy [phi] for combinators such that [phi] is normalizing and if M has no normal form then the iterations M,[phi](M),...,[phi]m╠é(M),... are all distinct."
БАНКЛАРДА АСОСИЙ ВОСИТАЛАРНИ МҲХС АСОСИДА ҲИСОБИНИ ЮРИТИШ
Creators: name: Тожибоев, Баходиржон
Publisher: name: Zenodo
Year: 2024

description: Мақолада Банкларда МҲХС асосида асосий воситаларни ҳисобини юритишни ташкил этишнинг назарий асосларини, амалда ташкил этилганлик даражаси, МҲХС асосида асосий воситаларни ҳисобини юритишни такомиллаштириш ва унга таъсир этувчи омиллар ҳал қилиш йўлларини ўрганиш ҳамда такомиллаштириш кўриб чиқилди.
Additional file 1 of Sexual and reproductive health of newly-arrived asylum-seeking women: a cross-sectional survey in Finland
Creators: name: Majlander, Satu
name: Kinnunen, Tarja I.
name: Lilja, Eero
name: Castaneda, Anu E.
name: Skogberg, Natalia
name: Koponen, Päivikki
Publisher: name: figshare
Year: 2025
Subjects: subject: Medicine
subject: Cell Biology
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: Cancer
subject: Science Policy
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file1.
Vacuum energy and $θ$--vacuum
Creators: name: Asorey, M.
Publisher: name: arXiv
Year: 2003
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: The highly non-trivial structure of the $θ$--vacuum encodes many of the fundamental properties of gauge theories. In particular, the response of the vacuum to the $θ$--term perturbation is sensitive to the existence of confinement, chiral symmetry breaking, etc. We analyze the dependence of the vacuum energy density on theta around two special values, $θ=0$ and $θ=π$. The existence or not of singular behaviors associated to spontaneous breaking of CP symmetry in these vacua has been a controversial matter for years. We clarify this important problem by means of continuum non-perturbative techniques. The results show the absence of first order cusp singularities on the vacuum energy density at $θ=0$ and $θ=π$ for some gauge theories. This smooth dependence of the energy on $θ$ might have implications for long standing cosmological problems like the baryonic asymmetry and the cosmological constant problem.
description: 8 pages, 1 figure. Invited talk at "Renormalization Group and Anomalies in Gravity and Cosmology", Ouro Preto,Brazil, March 17-23, 2003.v2: Added references
Monitoring bedrock vadose zone water storage dynamics with time-lapse borehole nuclear magnetic resonance well logging
Creators: name: Schmidt, Logan Marcos
name: 0000-0003-0380-4816
Publisher: name: The University of Texas at Austin
Year: 2022
Subjects: NMR
Vadose
Bedrock
Water storage
Hydrogeology

description: Bedrock vadose zone water storage dynamics are a critical component of the hydrologic cycle in many catchments, but direct observations of these dynamics are rare. Nuclear magnetic resonance (NMR) methods are sensitive to volumetric water content and to pore chemistry and structure, making NMR a candidate for directly observing bedrock vadose zone water storage dynamics and the material properties associated with them. However, applications of NMR to study water storage in bedrock vadose zones are rare. Here we present the first use of time-lapse borehole nuclear magnetic resonance well logging to monitor and characterize seasonal water content changes in the deeply weathered bedrock vadose zone at two sites in Northern California. The work is presented in two chapters, each of which focuses on one of the two aspects of the NMR measurement: water content and relaxation times. In the first chapter, we evaluate the ability of borehole NMR to quantify water content changes in weathered bedrock. We show strong agreement between estimates of dynamic water storage derived from NMR and independent estimates from neutron logging and mass balance calculations. The agreement between NMR and neutron estimates of dynamic storage suggests that all seasonally exchanged bedrock water is hosted in fractures, and not the matrix, at these sites. The depths of dynamic storage we observe are up to 9 m and likely reflect the depth extent of root-water uptake. In the second chapter, we document the relationship between bedrock weathering and NMR relaxation times. We find that the sum of echoes (SE) is a useful approach for characterizing NMR relaxation times in the vadose zone, and we use the functional dependence of SE on water content to show that enhanced bedrock weathering extent is associated with faster relaxation times. We find evidence that NMR relaxation times can be sensitive to changes in pore pressure associated with recharge events. The work presented here establishes borehole NMR well logging as a viable method for in situ vadose zone monitoring and characterization.
The photodissociation of CO in circumstellar envelopes
Creators: name: Groenewegen, M. A. T.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: Carbon monoxide is the most abundant molecule after H$_2$ and is important for chemistry in circumstellar envelopes around late-type stars. The size of the envelope is important when modelling low-J transition lines and deriving mass-loss rates from such lines. Now that ALMA is coming to full power the extent of the CO emitting region can be measured directly for nearby asymptotic giant branch (AGB) stars. In parallel, it has become obvious in the past few years that the strength of the interstellar radiation field (ISRF) can have a significant impact on the interpretation of the emission lines. In this paper an update and extension of the classical Mamon et al. (1988; ApJ 328, 797) paper is presented; these authors provided the CO abundance profile, described by two parameters, as a function of mass-loss rate and expansion velocity. Following recent work an improved numerical method and updated H$_2$ and CO shielding functions are used and a larger grid is calculated that covers more parameter space, including the strength of the ISRF. The effect of changing the photodissociation radius on the low-J CO line intensities is illustrated in two cases.
description: A&A in press
Strongly Tail-Optimal Scheduling in the Light-Tailed M/G/1
Creators: name: Yu, George
name: Scully, Ziv
Publisher: name: arXiv
Year: 2024
Subjects: subject: Performance (cs.PF)
subject: Probability (math.PR)
subject: FOS: Computer and information sciences
subject: FOS: Mathematics

description: We study the problem of scheduling jobs in a queueing system, specifically an M/G/1 with light-tailed job sizes, to asymptotically optimize the response time tail. This means scheduling to make $\mathbf{P}[T > t]$, the chance a job's response time exceeds $t$, decay as quickly as possible in the $t \to \infty$ limit. For some time, the best known policy was First-Come First-Served (FCFS), which has an asymptotically exponential tail: $\mathbf{P}[T > t] \sim C e^{-γt}$. FCFS achieves the optimal *decay rate* $γ$, but its *tail constant* $C$ is suboptimal. Only recently have policies that improve upon FCFS's tail constant been discovered. But it is unknown what the optimal tail constant is, let alone what policy might achieve it.
 In this paper, we derive a closed-form expression for the optimal tail constant $C$, and we introduce *$γ$-Boost*, a new policy that achieves this optimal tail constant. Roughly speaking, $γ$-Boost operates similarly to FCFS, but it pretends that small jobs arrive earlier than their true arrival times. This significantly reduces the response time of small jobs without unduly delaying large jobs, improving upon FCFS's tail constant by up to 50% with only moderate job size variability, with even larger improvements for higher variability. While these results are for systems with full job size information, we also introduce and analyze a version of $γ$-Boost that works in settings with partial job size information, showing it too achieves significant gains over FCFS. Finally, we show via simulation that $γ$-Boost has excellent practical performance.
description: 33 pages, 8 figures. SIGMETRICS 2024
БАНКЛАРДА  МҲХС АСОСИДА АСОСИЙ ВОСИТАЛАР ҲИСОБИНИ ТАШКИЛ ЭТИШ
Creators: name: Тожибоев, Баходиржон
Publisher: name: Zenodo
Year: 2024

description: МҲХС (Молиявий ҳисобнинг халқаро стандартлари) га ўтиш, МҲХСнинг шаклланиши қандай мураккаб жараён бўлган бўлган булса, аввалдан мавжуд бўлмаган мамлакат учун мураккаб жараён ҳисобланади. МҲХС га ўтиш - бу ҳисобот санасига бухгалтерия ҳисобининг миллий стандартлари асосида тузилган ҳисоботнинг тегишли моддаларини МҲХС лари қоидаларига мувофиқ ҳолда бошқа гуруҳлаштириш, уларнинг моддаларини қайта тан олиш, қайта баҳолаш, тузатишлар киритиш асосида МҲХСлари ҳисоботлари маълумотларининг янги тизимига кўчириш ҳамда қайта ташкил қилиш ҳисобланади.
Directional reversals and multimode dynamics in semiconductor ring lasers
Creators: name: Pérez-Serrano, Antonio
name: Javaloyes, Julien
name: Balle, Salvador
Publisher: name: Weierstrass Institute
Year: 2013
Subjects: subject: Semiconductor lasers
subject: Travelling wave model (TWM)
subject: Multimode dynamics
subject: Instabilities
subject: 78A60
subject: 65P30
subject: 65M99
subject: 58J45
subject: 35B32
subject: 42.55.Px
subject: 42.55.Sa
subject: 42.60.Mi
subject: 42.65.Pc
subject: 42.65.Sf

description: We investigate the dynamics of longitudinal modes in quantum-well semiconductor ring lasers by means of a spatio-temporal travelling wave model. We report the existence of a novel multimode instability in such a system that provokes a periodic deterministic directional reversal involving jumps between consecutive longitudinal modes. The switching sequence follows the modal frequencies from blue to red, and every modal jump is accompanied by a reversal of the direction of emission. We characterize and analyze such instability via the bifurcation analysis of the full travelling wave model as well as by performing the linear stability analysis of the monochromatic solutions.
In-situ visualization and characterization of mud-filtrate invasion and filter cake deposition using time-lapse X-ray micro-computed tomography (micro-CT)
Creators: name: Schroeder, Colin Lucas
name: 0000-0001-7292-1069
Publisher: name: The University of Texas at Austin
Year: 2022
Subjects: Petrophysics
Formation evaluation
Mud-filtrate invasion
Cake filtration
Drilling fluids
Computed tomography
Micro-CT

description: Borehole measurements acquired during and shortly after drilling of oil and natural gas wells are often subject to uncertainty resulting from the effects of mud-filtrate invasion. Accurate interpretation of these measurements requires a thorough understanding of the invasion process, including the deposition of filter cake, or mudcake, on the borehole wall and the flow of mud filtrate around the wellbore. Failure to properly account for these effects can lead to inaccurate estimation of petrophysical properties, errors in the quantification of hydrocarbon reserves, and misinformed long-term investment decisions. In this work, we designed and performed novel laboratory experiments that involved water- and synthetic oil-based mud-filtrate invasion in cylindrical rock core samples of varying petrophysical properties. Using high-resolution X-ray micro-computed tomography (micro-CT), we were able to visualize and characterize mudcake deposited on the borehole wall and the distribution of mud filtrate in the core samples as a function of both space and time during the experiments. Additionally, with the aid of a new set of generalized filtration equations, we were able to reliably estimate average in-situ mudcake properties, including mudcake porosity and permeability, during the experiments. Experiments were performed to study the influence of drilling fluid properties and rock petrophysical properties on the process of mud-filtrate invasion. Results for the rate of mud-filtrate invasion and the time evolution of mudcake thickness were consistent with behavior predicted by the derived generalized filtration equations. For rock core samples with permeability exceeding 8.9 mD, aside from a brief initial period of spurt loss, the mud-filtrate invasion rate was primarily controlled by the properties of the deposited mudcake rather than the distinct petrophysical properties of the core samples. In-situ mudcake properties, including porosity and permeability, generally remained constant while mudcake was thin, justifying the use of average in-situ values with models derived assuming incompressible mudcake. Filtrate flow through the core samples, including the movement of the invasion front and the redistribution of mud filtrate within the invaded zone, was strongly influenced by capillary forces, which caused deeper, more-uniform invasion than would be expected in the absence of capillary-driven flow, both in homogeneous and spatially heterogeneous rocks.
Understanding anthropogenic fault rupture in the Eagle Ford region, south-central Texas
Creators: name: McKeighan, Caroline Anne
name: 0000-0002-2518-4534
Publisher: name: The University of Texas at Austin
Year: 2022
Subjects: Induced seismicity
Fault reactivation
Hydraulic fracturing

description: There is a well-known occurrence of felt seismicity and smaller seismic events in areas where hydraulic fracturing (HF) operations occur. The Eagle Ford shale play of south-central Texas experienced an increase in the rate of felt seismicity from 2014-2019, temporally coincident with petroleum development in the region. By mid-2019, the rate of seismicity decreased alongside a reduction in the rate of well completions, thus prompting this investigation of the relationship between HF operations and geologic conditions that contribute to induced earthquake hazards. The goals of this work included mapping and conducting a geomechanical characterization of faults that delineate seismogenic regions of the Eagle Ford to understand the conditions that lead to inducing fault rupture. An integrated regional dataset composed of published data, wells, earthquakes, and interpretations from operators provided input for a 3D structural framework. Earthquake relocation analyses helped constrain the distribution of earthquakes that correlate to interpreted faults and enable identification of those that have been seismogenic. In-situ stress state of faults was analyzed to determine fault sensitivity in situ. A spatiotemporal analysis of HF operations and earthquakes further revealed induced-earthquake clusters that are linked to specific faults. We show how seismogenic and aseismogenic fault systems relate to earthquakes by determining which faults are more sensitive and which faults have been seismogenic. Faulting is dominated by NE-SW striking normal faults with 21% having hosted induced earthquakes since 2017. Faults in the Eagle Ford region have a geologically quasi-stable in situ stress state. Using a conservative scheme, we directly associate 45% of earthquake ruptures to HF to build our analysis dataset. Of those events, 70% are located within 1 km of a mapped fault. Stress conditions on seismogenic faults show a wide range of sensitivity to rupture. This suggests that all faults close to HF operations should be considered as candidates likely to rupture.
Testing the photoionization models of powerful radio galaxies: Mixed line-emitting media in 3C 321
Creators: name: Robinson, T. G.
name: Tadhunter, C. N.
name: Axon, D. J.
name: Robinson, A.
Publisher: name: arXiv
Year: 2000
Subjects: subject: Astrophysics (astro-ph)
subject: FOS: Physical sciences

description: The photoionization models for the narrow emission line regions of powerful radio galaxies have yet to be tested in depth. To this end, we present high-quality long-slit spectroscopy of the powerful double-nucleus radio galaxy 3C 321. The data have good enough spatial resolution to be able to trace the variation in emission-line properties on kpc scales. Continuum modelling and subtraction enables the faint emission line fluxes to be measured in several regions across the emission line nebula. We plot diagnostic line-ratio diagrams and compare them with the predictions of various photoionization models, finding that the data is best fit by models which assume a mixture of optically thin and thick clouds illuminated by a power-law continuum. The emission line kinematics, line ratios and deduced physical conditions show remarkably little variation across the source. We deduce a mean electron density of 400 +/- 120 cm-3 and a mean temperature of 11500 +/- 1500 K. Assuming a single population of optically thick line-emitting clouds, we calculate a mean photoionization parameter of (1.1 +/- 0.5) x 10e-2 and hence a photoionizing photon luminosity of Q ~ 10e55 -- 10e56 photon/s/sr. This indicates a central engine as luminous as that of the powerful quasar 3C 273, yet there is no evidence for such an energetically prolific central engine at either far-infrared or radio wavelengths. We therefore conclude that the mixed-media models, which give Q ~ 5 x 10e53 -- 5 x 10e54, represent a more likely scenario. As a by-product of the continuum subtraction we infer that young stellar populations account for ~ 0.4% of the visible stellar mass in the galaxy, and that these populations are spatially extended.
description: Accepted for publication in MNRAS
Homogenization of elliptic systems with non-periodic, state dependent coefficients
Creators: name: Hanke, Hauke
name: Knees, Dorothee
Publisher: name: Weierstrass Institute
Year: 2013
Subjects: subject: Two-scale convergence
subject: folding and unfolding operator
subject: Γ-convergence
subject: discrete gradient
subject: state dependent coefficient
subject: 74Q15
subject: 35B27
subject: 35R05
subject: 74A45

description: In this paper, a homogenization problem for an elliptic system with non-periodic, state dependent coefficients representing microstructure is investigated. The state functions defining the tensor of coefficients are assumed to have an intrinsic length scale denoted by ε > 0. The aim is the derivation of an effective model by investigating the limit process ε → 0 of the state functions rigorously. The effective model is independent of the parameter ε > 0 but preserves the microscopic structure of the state functions (ε > 0), meaning that the effective tensor is given by a unit cell problem prescribed by a suitable microscopic tensor. Due to the non-periodic structure of the state functions and the corresponding microstructure, the effective tensor turns out to vary from point to point (in contrast to a periodic microscopic model). In a forthcoming paper, these states will be solutions of an additional evolution law describing changes of the microstructure. Such changes could be the consequences of temperature changes, phase separation or damage progression, for instance. Here, in addition to the above and as a preparation for an application to time-dependent damage models (discussed in a future paper), we provide a Γ-convergence result of sequences of functionals being related to the previous microscopic models with state dependent coefficients. This requires a penalization term for piecewise constant state functions that allows us to extract from bounded sequences those sequences converging to a Sobolev function in some sense. The construction of the penalization term is inspired by techniques for Discontinuous Galerkin methods and is of own interest. A compactness and a density result are provided.
title: Mail à Christian Perronne et Joseph Saba
Creators: name: Leibowitch, Jacques
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020

description: Source: http://www.calames.abes.fr/pub/ms/Calames-2019311113191714
Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE
Creators: name: Gu, Xinyu
name: Aranganathan, Akashnathan
name: Tiwary, Pratyush
Publisher: name: arXiv
Year: 2024
Subjects: subject: Biological Physics (physics.bio-ph)
subject: Disordered Systems and Neural Networks (cond-mat.dis-nn)
subject: Soft Condensed Matter (cond-mat.soft)
subject: Computational Physics (physics.comp-ph)
subject: FOS: Physical sciences

description: Small molecule drug design hinges on obtaining co-crystallized ligand-protein structures. Despite AlphaFold2's strides in protein native structure prediction, its focus on apo structures overlooks ligands and associated holo structures. Moreover, designing selective drugs often benefits from the targeting of diverse metastable conformations. Therefore, direct application of AlphaFold2 models in virtual screening and drug discovery remains tentative. Here, we demonstrate an AlphaFold2 based framework combined with all-atom enhanced sampling molecular dynamics and induced fit docking, named AF2RAVE-Glide, to conduct computational model based small molecule binding of metastable protein kinase conformations, initiated from protein sequences. We demonstrate the AF2RAVE-Glide workflow on three different protein kinases and their type I and II inhibitors, with special emphasis on binding of known type II kinase inhibitors which target the metastable classical DFG-out state. These states are not easy to sample from AlphaFold2. Here we demonstrate how with AF2RAVE these metastable conformations can be sampled for different kinases with high enough accuracy to enable subsequent docking of known type II kinase inhibitors with more than 50% success rates across docking calculations. We believe the protocol should be deployable for other kinases and more proteins generally.
description: added revised version and DOI link to eLife version
Cold Atom Optical Lattices as Quantum Analog Simulators for Aperiodic One-Dimensional Localization Without Disorder
Creators: name: Scarola, V. W.
name: Sarma, S. Das
Publisher: name: arXiv
Year: 2005
Subjects: subject: Other Condensed Matter (cond-mat.other)
subject: Atomic Physics (physics.atom-ph)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: Cold atom optical lattices allow for the study of quantum localization and mobility edges in a disorder-free environment. We predict the existence of an Anderson-like insulator with sharp mobility edges in a one-dimensional nearly-periodic optical lattice. We show that the mobility edge manifests itself as the early onset of pinning in center of mass dipole oscillations in the presence of a magnetic trap which should be observable in optical lattices.
Additional file 1 of Characterization of Qu-aroma of medium–high temperature Daqu from different production areas using sensory evaluation, E-nose, and GC–MS/O analysis
Creators: name: Deng, Jie
name: Zheng, Jia
name: Li, Xing
name: Huang, Dan
name: Ye, Guangbin
name: Luo, Huibo
Publisher: name: figshare
Year: 2025
Subjects: subject: Biochemistry
subject: Medicine
subject: Neuroscience
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Cancer
subject: Science Policy
subject: Mental Health
subject: Plant Biology
subject: FOS: Biological sciences

description: Supplementary Material 1.
The Case for an Accelerating Universe from Supernovae
Creators: name: Riess, Adam G.
Publisher: name: arXiv
Year: 2000
Subjects: subject: Astrophysics (astro-ph)
subject: FOS: Physical sciences

description: The unexpected faintness of high-redshift Type Ia supernovae (SNe Ia), as measured by two teams, has been interpreted as evidence that the expansion of the Universe is accelerating. We review the current challenges to this interpretation and seek to answer whether the cosmological implications are compelling. We discuss future observations of SNe Ia which could offer extraordinary evidence to test acceleration.
description: To appear as an Invited Review for PASP 20 pages, 13 figures
Fluid-mobile element cycling (halogens, boron, lithium) and sourcing through the Costa Rican convergent margin
Creators: name: Helper, Jacob Pierce
name: 0000-0003-4886-8653
Publisher: name: The University of Texas at Austin
Year: 2022
Subjects: Costa Rica
Subduction
Stable isotopes
Fluid-mobile elements

description: The source of fluids in convergent margins can be traced using fluid-mobile elements such as Cl, Br, I, B, and Li. However, previous studies have often overlooked the forearc. Describing fluid loss from subducting oceanic crust to the forearc is difficult for several reasons including differences in pathways due to faulting, variability in the depth in which fluids are released, and compositional changes of the subducting slab. Seepage through the accretionary prism and incorporation into arc magmas are the primary outputs for fluids to leave the convergent margin; however, poor characterization of fluid-mobile element loss through the forearc has made it difficult to develop mass balance models and flux calculations. This study sampled subaerial forearc and volcanic arc springs along the Middle American Convergent Margin in Costa Rica to trace source fluids. Water samples were analyzed for stable isotopic compositions of Li, B, and Cl, and cation and anion concentrations. Concentrations of Cl (0.864-2420 mg/l), B (0.0081-40.172 mg/l), Li (0.000426-5.173 mg/l), Br (3.55-9421.99 µg/l), and I (0.651-2821.88 µg/l) varied greatly as a function of spring location with respect to the margin trench. Reliability in using Li, B, and Cl isotopes as fluid source tracers has been established due to limited isotopic fractionation resulting from incompatibilities with secondary mineral formation and host lithology interactions. ẟ⁷Li, ẟ¹¹B, and ẟ³⁷Cl values range from -2.4 ‰ to 27.3 ‰ (n = 32), -12.0 ‰ to 30.9 ‰ (n = 29), and -1.7 ‰ to 0.7 ‰ (n = 29), respectively. Isotopic compositions and concentration data support hypotheses that springs nearest to the trench reflect shallow sources (sediments and sedimentary pore-fluids), while those at the volcanic arc show trace representations of deeper fluid sources (altered oceanic crust, serpentinites, and mantle). Isotopic variabilities in springs on the Nicoya Peninsula, closest to the trench, result from either interaction between fluids and the host lithology, differences in fluid pathways due to faulting, or a combination of both. Limited data also supports along-arc geochemical differences between springs normal to oceanic crust created at the East Pacific Rise, Cocos-Nazca Spreading Center, and Cocos Ridge.
On some random forests with determinantal roots
Creators: name: Avena, Luca
name: Gaudillière, Alexandre
Publisher: name: Weierstrass Institute
Year: 2013
Subjects: subject: finite networks
subject: spanning forests
subject: determinantal processes
subject: random sets
subject: hitting times
subject: local equilibria
subject: Wilson's algorithm
subject: random partitions
subject: coalescence and fragmentation
subject: 05C81
subject: 60J20
subject: 15A15
subject: 4215A18
subject: 05C85

description: Consider a finite weighted oriented graph. We study a probability measure on the set of spanning rooted oriented forests on the graph. We prove that the set of roots sampled from this measure is a determinantal process, characterized by a possibly non-symmetric kernel with complex eigenvalues. We then derive several results relating this measure to the Markov process associated with the starting graph, to the spectrum of its generator and to hitting times of subsets of the graph. In particular, the mean hitting time of the set of roots turns out to be independent of the starting point, conditioning or not to a given number of roots. Wilson's algorithm provides a way to sample this measure and, in absence of complex eigenvalues of the generator, we explain how to get samples with a number of roots approximating a prescribed integer. We also exploit the properties of this measure to give some probabilistic insight into the proof of an algebraic result due to Micchelli and Willoughby [13]. Further, we present two different related coalescence and fragmentation processes.
Dzyaloshinskii-Moriya interaction induced extrinsic linewidth broadening of ferromagnetic resonance
Creators: name: Oh, Jung Hyun
name: Hong, Ik-Sun
name: Lee, Kyung-Jin
Publisher: name: arXiv
Year: 2017
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: For a thin ferromagnetic film with the Dzyaloshinskii-Moriya interaction (DMI), we derive an expression of the extrinsic ferromagnetic resonance (FMR) linewidth in a quantum mechanical way, taking into account scatterings from structural inhomogeneity. In the presence of the DMI, the magnon dispersion exhibits rich resonant states, especially in small external magnetic fields and strong DMI strength. It is found that the FMR linewidth shows several characteristic features such as a finite linewidth at zero frequency and peaks in the low frequency range.
description: 9 pages, 5 figures
Analytical investigation of an integral equation method for electromagnetic scattering by biperiodic structures
Creators: name: Bugert, Beatrice
name: Schmidt, Gunther
Publisher: name: Weierstrass Institute
Year: 2013
Subjects: subject: biperiodic scattering problems
subject: Maxwell's equations
subject: boundary integral equations
subject: Lipschitz domains
subject: Gårding inequalities
subject: 31B10
subject: 35Q60
subject: 35Q61
subject: 45A05
subject: 78A45

description: This paper is concerned with the study of a new integral equation formulation for electromagnetic scattering by a 2π-biperiodic polyhedral Lipschitz profile. Using a combined potential ansatz, we derive a singular integral equation with Fredholm operator of index zero from time-harmonic Maxwell's equations and prove its equivalence to the electromagnetic scattering problem. Moreover, under certain assumptions on the electric permittivity and the magnetic permeability, we obtain existence and uniqueness results in the special case that the grating is smooth and, under more restrictive assumptions, in the case that the grating is of polyhedral Lipschitz regularity.
Temperature Dependence of Pair Correlations in Nuclei in the Iron-Region
Creators: name: Langanke, K.
name: Dean, D. J.
name: Radha, P. B.
name: Koonin, S. E.
Publisher: name: arXiv
Year: 1996
Subjects: subject: Nuclear Theory (nucl-th)
subject: FOS: Physical sciences

description: We use the shell model Monte Carlo approach to study thermal properties and pair correlations in $^{54,56,58}$Fe and in $^{56}$Cr. The calculations are performed with the modified Kuo-Brown interaction in the complete $1p0f$ model space. We find generally that the proton-proton and neutron-neutron $J=0$ pairing correlations, which dominate the ground state properties of even-even nuclei, vanish at temperatures around 1 MeV. This pairing phase transition is accompanied by a rapid increase in the moment of inertia and a partial unquenching of the M1 strength. We find that the M1 strength totally unquenches at higher temperatures, related to the vanishing of isoscalar proton-neutron correlations, which persist to higher temperatures than the pairing between like nucleons. The Gamow-Teller strength is also correlated to the isoscalar proton-neutron pairing and hence also unquenches at a temperature larger than that of the pairing phase transition.
description: RevTeX and ps figures
Generalized Pitaevskii relation between rectifying and linear responses: its application to reciprocal magnetization induction
Creators: name: Watanabe, Hikaru
name: Daido, Akito
Publisher: name: arXiv
Year: 2024
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: FOS: Physical sciences

description: Nonlinear optics has regained attention in recent years, especially in the context of optospintronics and topological materials. Nonlinear responses involved in various degrees of freedom manifest their intricacy more pronounced than linear responses. However, for a certain class of nonlinear responses, a connection can be established with linear-response coefficients, enabling the exploration of diverse nonlinear-response functionality in terms of the linear-response counterpart. Our study quantum-mechanically elucidates the relation between such nonlinear and linear responses we call the Pitevskii relation and identifies the condition for the relation to hold. Following the obtained general formulation, we systematically identify the Pitaevskii relations such as the inverse magnetoelectric effect and inverse natural optical activity unique to systems manifesting the space-inversion-symmetry breaking. These results provide a systematic understanding of intricate nonlinear responses and may offer further implications to ultrafast spintronics.
description: 20 pages, 6 figures, 2 tables
Is charge order induced near an antiferromagnetic quantum critical point?
Creators: name: Wang, Xiaoyu
name: Wang, Yuxuan
name: Schattner, Yoni
name: Berg, Erez
name: Fernandes, Rafael M.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Superconductivity (cond-mat.supr-con)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: FOS: Physical sciences

description: We investigate the interplay between charge order and superconductivity near an antiferromagnetic quantum critical point using sign-problem-free Quantum Monte Carlo simulations. We establish that, when the electronic dispersion is particle-hole symmetric, the system has an emergent SU(2) symmetry that implies a degeneracy between $d$-wave superconductivity and charge order with $d$-wave form factor. Deviations from particle-hole symmetry, however, rapidly lift this degeneracy, despite the fact that the SU(2) symmetry is preserved at low energies. As a result, we find a strong suppression of charge order caused by the competing, leading superconducting instability. Across the antiferromagnetic phase transition, we also observe a shift in the charge order wave-vector from diagonal to axial. We discuss the implications of our results to the universal phase diagram of antiferromagnetic quantum-critical metals and to the elucidation of the charge order experimentally observed in the cuprates.
description: 5 pages main text + 3 pages supplementary
Finite-curvature scaling in optical lattice systems
Creators: name: Hooley, C.
name: Quintanilla, J.
Publisher: name: arXiv
Year: 2005
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: Other Condensed Matter (cond-mat.other)
subject: FOS: Physical sciences

description: We address the problem posed by the inhomogeneous trapping fields when using ultracold fermions to simulate strongly correlated electrons. As a starting point, we calculate the density of states for a single atom. Using semiclassical arguments, we show that this can be made to evolve smoothly towards the desired limit by varying the curvature of the field profile. Implications for mutually interacting atoms in such potentials are briefly discussed.
description: 2 pages, 2 figures; submitted to the proceedings of SCES'05
Visualization for physics analysis improvement and applications in BESIII
Creators: name: Li, Zhi-Jun
name: Yuan, Ming-Kuan
name: Song, Yun-Xuan
name: Li, Yan-Gu
name: Li, Jing-Shu
name: Sun, Sheng-Sen
name: Wang, Xiao-Long
name: You, Zheng-Yun
name: Mao, Ya-Jun
Publisher: name: arXiv
Year: 2024
Subjects: subject: Data Analysis, Statistics and Probability (physics.data-an)
subject: High Energy Physics - Experiment (hep-ex)
subject: FOS: Physical sciences

description: Modern particle physics experiments usually rely on highly complex and large-scale spectrometer devices. In high energy physics experiments, visualization helps detector design, data quality monitoring, offline data processing, and has great potential for improving physics analysis. In addition to the traditional physics data analysis based on statistical methods, visualization provides unique intuitive advantages in searching for rare signal events and reducing background noises. By applying the event display tool to several physics analyses in the BESIII experiment, we demonstrate that visualization can benefit potential physics discovery and improve the signal significance. With the development of modern visualization techniques, it is expected to play a more important role in future data processing and physics analysis of particle physics experiments.
description: 19 pages, 7 figures
Distributed optimal control of a nonstandard nonlocal phase field system with double obstacle potential
Creators: name: Colli, Pierluigi
name: Gilardi, Gianni
name: Sprekels, Jürgen
Publisher: name: Weierstrass Institute
Year: 2016
Subjects: subject: Distributed optimal control
subject: phase field systems
subject: double obstacle potentials
subject: nonlocal operators
subject: first-order necessary optimality conditions
subject: 35K55
subject: 49K20
subject: 74A15

description: This paper is concerned with a distributed optimal control problem for a nonlocal phase field model of Cahn-Hilliard type, which is a nonlocal version of a model for two-species phase segregation on an atomic lattice under the presence of diffusion. The local model has been investigated in a series of papers by P. Podio-Guidugli and the present authors the nonlocal model studied here consists of a highly nonlinear parabolic equation coupled to an ordinary differential inclusion of subdifferential type. The inclusion originates from a free energy containing the indicator function of the interval in which the order parameter of the phase segregation attains its values. It also contains a nonlocal term modeling long-range interactions. Due to the strong nonlinear couplings between the state variables (which even involve products with time derivatives), the analysis of the state system is difficult. In addition, the presence of the differential inclusion is the reason that standard arguments of optimal control theory cannot be applied to guarantee the existence of Lagrange multipliers. In this paper, we employ recent results proved for smooth logarithmic potentials and perform a so-called `deep quench' approximation to establish existence and first-order necessary optimality conditions for the nonsmooth case of the double obstacle potential.
Nilpotent symplectic alternating algebras I
Creators: name: Sorkatti, Layla
name: Traustason, Gunnar
Publisher: name: arXiv
Year: 2024
Subjects: subject: Rings and Algebras (math.RA)
subject: FOS: Mathematics
subject: 17D99, 20F45, 20D15

description: We develop a structure theory for nilpotent symplectic alternating algebras.
description: 25 pages
Supplemental Material_VAD and GDM_11.06.2018
Creators: name: Parag Thaware
name: Patterson, Chris C
name: Young, Ian S
name: Casey, Claire
name: McCance, David R
Publisher: name: figshare
Year: 2018
Subjects: subject: 110306 Endocrinology
subject: FOS: Clinical medicine

description: Supplemental tables for manuscript titled: Ultrasound-measured visceral adipose tissue depth – a tool for early pregnancy screening for gestational diabetes
Hydrodynamical Survey of First Overtone Cepheids
Creators: name: Feuchtinger, Michael
name: Buchler, J. Robert
name: Kollath, Zoltan
Publisher: name: arXiv
Year: 2000
Subjects: subject: Astrophysics (astro-ph)
subject: Fluid Dynamics (physics.flu-dyn)
subject: FOS: Physical sciences

description: A hydrodynamical survey of the pulsational properties of first overtone Galactic Cepheids is presented. The goal of this study is to reproduce their observed light- and radial velocity curves. The comparison between the models and the observations is made in a quantitative manner on the level of the Fourier coefficients. Purely radiative models fail to reproduce the observed features, but convective models give good agreement. It is found that the sharp features in the Fourier coefficients are indeed caused by the P1/P4 = 2 resonance, despite the very large damping of the 4th overtone. For the adopted mass-luminosity relation the resonance center lies near a period of 4.2d +/- 0.2 as indicated by the observed radial velocity data, rather than near 3.2d as the light-curves suggest.
description: ApJ, 12 pages, (slightly) revised