cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
A simple and effective method for the accurate extraction of kinetic parameters using differential Tafel plots
Creators: name: Khadke, Prashant
name: Tichter, Tim
name: Boettcher, Tim
name: Muench, Falk
name: Ensinger, Wolfgang
name: Roth, Christina
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: Batteries
subject: Corrosion
subject: Electrocatalysis
subject: 500 Naturwissenschaften und Mathematik::500 Naturwissenschaften::500 Naturwissenschaften und Mathematik

description: The practice of estimating the transfer coefficient (α) and the exchange current (i0) by arbitrarily placing a straight line on Tafel plots has led to high variance in these parameters between different research groups. Generating Tafel plots by finding kinetic current, ik from the conventional mass transfer correction method does not guarantee an accurate estimation of the α and i0. This is because a substantial difference in values of α and i0 can arise from only minor deviations in the calculated values of ik. These minor deviations are often not easy to recognise in polarisation curves and Tafel plots. Recalling the IUPAC definition of α , the Tafel plots can be alternatively represented as differential Tafel plots (DTPs) by taking the first order differential of Tafel plots with respect to overpotential. Without further complex processing of the existing raw data, many crucial observations can be made from DTP which is otherwise very difficult to observe from Tafel plots. These for example include a) many perfectly looking experimental linear Tafel plots (R2 > 0.999) can give rise to incorrect kinetic parameters b) substantial differences in values of α and i0 can arise when the limiting current (iL) is just off by 5% while performing the mass transfer correction c) irrespective of the magnitude of the double layer charging current (ic), the Tafel plots can still get significantly skewed when the ratio of i0/ic is small. Hence, in order to determine accurate values of α and i0, we show how the DTP approach can be applied to experimental polarisation curves having well defined iL, poorly defined iL and no iL at all.
Seeing the First Supernovae at the Edge of the Universe with JWST
Creators: name: Whalen, Daniel J.
name: Fryer, Chris L.
name: Holz, Daniel E.
name: Heger, Alexander
name: Woosley, S. E.
name: Stiavelli, Massimo
name: Even, Wesley
name: Frey, Lucille L.
Publisher: name: arXiv
Year: 2012
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: FOS: Physical sciences

description: The first stars ended the cosmic Dark Ages and created the first heavy elements necessary for the formation of planets and life. The properties of these stars remain uncertain, and it may be decades before individual Pop III stars are directly observed. Their masses, however, can be inferred from their supernova explosions, which may soon be found in both deep-field surveys by JWST and in all-sky surveys by WFIRST. We have performed radiation hydrodynamical simulations of the near infrared signals of Pop III pair-instability supernovae in realistic circumstellar environments with Lyman absorption by the neutral intergalactic medium. We find that JWST and WFIRST will detect these explosions out to z ~ 30 and 20, respectively, unveiling the first generation of stars in the universe.
description: 5 pages, 4 figures, accepted by ApJL
Doing Contrariness: Therapeutic Talk-In-Interaction in a Single Therapy Session With a Traumatized Child
Creators: name: Buchholz, Michael B.
name: Buchholz, Timo
name: Wulfing, Barbara
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: trauma
subject: children in treatment
subject: doing contrariness
subject: psychotherapy
subject: adoptive children
subject: conversation analysis
subject: 100 Philosophie und Psychologie::150 Psychologie::150 Psychologie

description: Conversation analysis (CA) of children-adult—interaction in various contexts has become an established field of research. However, child therapy has received limited attention in CA. In child therapy, the general psychotherapeutic practice of achieving empathy faces particular challenges. In relation to this, our contribution sets out three issues for investigation and analysis: the first one is that practices of achieving empathy must be preceded by efforts aiming to establish which kind of individualized conversation works with this child (Midgley, 2006). Psychotherapy process researchers in adult therapy (Stiles et al., 2015) have found that therapists “invent” a new therapy for each patient (Norcross and Wampold, 2018). The second issue is that it can be difficult for adults to understand the ways in which children express their conflicts and issues. In particular, play activities in therapy, e.g., with dolls, can open up additional scenarios of interaction. The play scenario can be used to disclose unformulated problems masked in everyday and family interactions. The third issue is how to respect the child's higher degree of vulnerability, compared with adult patients. How is it communicated and dealt with in therapy? We present an interaction analysis of a single case study of the first 20 min of a child therapy session with an adopted girl aged 4 years brought to treatment because of “unexplainable rage.” The session was videotaped; parents granted permission. We analyze this session using an applied version of CA. In our analysis, we describe “doing contrariness,” as a conversational practice producing epistemic and affiliative disruptions, while “avoiding doing contrariness” and “remedying contrariness” are strategies for preserving or restoring the affiliative dimension of a relationship (in child therapy). We show how these practices operate in various modes and how they are used by both parties in our case study to variously aid and impedethe achievement of empathy and understanding.
Rethinking the distribution of sleep services: discrepancy of obstructive sleep apnoea in rural compared with metropolitan men in Australia - a large national survey
Creators: name: Booker, Lauren
name: Hodge, Brad
name: Skinner, Timothy
Publisher: name: La Trobe
Year: 2023
Subjects: classificationCode: 39
subject: Education
classificationCode: 4206
subject: Public health
classificationCode: 5201
subject: Applied and developmental psychology
classificationCode: 42
subject: Health sciences
subject: FOS: Health sciences

description: INTRODUCTION: Geographical location is increasingly recognised as a contributor to health inequity, with barriers including travel distances and a shortage of healthcare services. Individuals living in rural areas are known to have increased illness and comorbidities. Obstructive sleep apnoea (OSA) is one such illness. OSA is a condition where a person repeatedly pauses breathing while asleep due to their airways becoming wholly or partially blocked, and it is associated with various chronic diseases. Exploration into the effects of these barriers on OSA is limited. This study explores the proportion of diagnosed and undiagnosed OSA in men living in rural compared to metropolitan areas. METHODS: This was a cross-sectional, secondary analysis of the Australian Ten to Men dataset. The present study looked at men aged over 18 years diagnosed with OSA in their lifetime from wave 2 (n=10 513) and wave 3 (n=7262) of the dataset. Wave 2 data were collected between November 2015 and May 2016, and wave 3 between July 2020 and February 2021. RESULTS: In wave 2, a higher proportion of rural men were diagnosed with OSA than metropolitan men (OR, 1.47, 95%CI 1.22-1.78, p<0.001), but not regional men. In addition, a significantly higher proportion of men in rural areas were at risk for OSA than metropolitan men (37.7% v 32.6%, p<0.0001). However, men living rurally were older, had higher BMI and lower socioeconomic status. Location was no longer a significant predictor of OSA after controlling for age, BMI and socioeconomic status. In wave 3, rate of diagnosis of OSA during the lifetime was no longer significantly associated with location (p=0.057) or being diagnosed with OSA in the previous 12 months (p=0.062). CONCLUSION: This study highlights the need to ensure adequate services in rural areas, given the higher proportion of men diagnosed with, or at risk of, OSA in rural areas. OSA is also associated with an increase risk of comorbidities such as heart disease, hypertension and diabetes, which are diseases also seen more prevalently in rural men. Rethinking the distribution of healthcare services will go some way to addressing this problem.
Long-range plasmon-assisted energy transfer over doped graphene
Creators: name: Velizhanin, Kirill A.
name: Shahbazyan, Tigran V.
Publisher: name: arXiv
Year: 2012
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: Optics (physics.optics)
subject: FOS: Physical sciences

description: We demonstrate that longitudinal plasmons in doped monolayer graphene can mediate highly efficient long-range energy transfer between nearby fluorophores, e.g., semiconductor quantum dots. We derive a simple analytical expression for the energy transfer efficiency that incorporates all the essential processes involved. We perform numerical calculations of the transfer efficiency for a pair of PbSe quantum dots near graphene for inter-fluorophore distances of up to 1 $μ$m and find that the plasmon-assisted long-range energy transfer can be enhanced by up to a factor of $\sim10^4$ relative to the Förster's transfer in vacuum.
description: 8 pages, 5 figures
Uncertainties in Successive Measurements
Creators: name: Distler, Jacques
name: Paban, Sonia
Publisher: name: arXiv
Year: 2012
Subjects: subject: Quantum Physics (quant-ph)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: When you measure an observable, A, in Quantum Mechanics, the state of the system changes. This, in turn, affects the quantum-mechanical uncertainty in some non-commuting observable, B. The standard Uncertainty Relation puts a lower bound on the uncertainty of B in the initial state. What is relevant for a subsequent measurement of B, however, is the uncertainty of B in the post-measurement state. We re-examine this problem, both in the case where A has a pure point spectrum and in the case where A has a continuous spectrum. In the latter case, the need to include a finite detector resolution, as part of what it means to measure such an observable, has dramatic implications for the result of successive measurements. Ozawa proposed an inequality satisfied in the case of successive measurements. Among our results, we show that his inequality is ineffective (can never come close to being saturated). For the cases of interest, we compute a sharper lower bound.
description: Improvements in the prose (thanks to the referee). Version to appear in Phys. Rev. A. 23 pages, utarticle.cls
Alternate without alternative: neither preference nor learning explains behaviour of C57BL/6J mice in the T-maze
Creators: name: Habedank, Anne
name: Kahnau, Pia
name: Lewejohann, Lars
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: T-maze
subject: Y-maze
subject: preference
subject: mice
subject: reward
subject: choice
subject: alternation
subject: 600 Technik, Medizin, angewandte Wissenschaften::630 Landwirtschaft::630 Landwirtschaft und verwandte Bereiche

description: In rodents, the T-maze is commonly used to investigate spontaneous alternating behaviour, but it can also be used to investigate preference between goods. However, for T-maze preference tests with mice there is no recommended protocol and researchers frequently report reproduction difficulties. Here, we tried to develop an efficient protocol with female C57BL/6J CrL mice for preference tests. We used two different designs, adapting habituation, cues and trial timing. However, in both experiments mice did not show any preference, although we used goods which we knew mice find rewarding. Instead, they alternated choices indicating that exploratory behaviour overruled preference. We argue that this behavioural strategy has evolved as an adaptive trait in saturated conditions where there is no need to take the reward immediately. Therefore, we deem the T-maze unsuitable for preference testing with the procedures we used here.
Spin dynamics, short-range order and superparamagnetism in superconducting ferromagnet RuSr2Gd1.4Ce0.6Cu2O10-δ
Creators: name: Kumar, Anuj
name: Tandon, R. P.
name: Awana, V. P. S.
Publisher: name: arXiv
Year: 2012
Subjects: subject: Superconductivity (cond-mat.supr-con)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: FOS: Physical sciences

description: We report structural, detailed DC and linear/non-linear AC, isothermal and thermoremanent magnetization study of the rutheno-cuprate superconducting ferromagnet RuSr2Gd1.4Ce0.6Cu2O10-δ (GdRu-1222). Structural analysis, by employing Rietveld refinement of X-ray diffraction pattern, reveals that GdRu-1222 crystallizes in tetragonal phase with I4/mmm space group. GdRu-1222 is a reported superconducting ferromagnet with Ru spins magnetic ordering at around 110 K and superconductivity below 40 K in Cu-O2 planes. Detailed linear/non-linear first and higher order harmonic of AC susceptibility studies unveiled the complex magnetism of GdRu-1222. A frequency dependent cusp is observed in AC susceptibility (χac) vs. T measurements. The change in cusp position with applied frequency followed the well known Vogel-Fulcher law, which is a feature to describe a spin-glass (SG) system with possibility of embedded homogeneous/non-homogeneous magnetically interacting/non-interacting ferromagnetic clusters. Such an interpretation is also supported by thermoremanent magnetization (TRM) study at T = 60 K. Detailed interpretation of AC magnetization results revealed the formation of magnetic (ferromagnetic) homogenous/non-homogenous clusters of different sizes embedded in spin-glass (SG) matrix. The magnetization vs. applied field loops do not saturate, even at high applied fields (50 kOe), resulting in the short-range magnetic ordering in the system, which causes the formation of clusters that freeze at low temperatures. Temperature variation of first- and third-order susceptibility harmonics show good agreement with Wohlfarth's model (WM), leading to the superparamagnetism (SPM) state. Detailed magnetization (DC and AC both) results and their analysis helped in explaining the temperature dependent magnetism of the GdRu-1222 system.
description: 24 Pages Text + Figures; Comments/Suggestions (awana@mail.nplindia.org)/www.freewebs.com/vpsawana/
The impact of red noise in radial velocity planet searches: Only three planets orbiting GJ581?
Creators: name: Baluev, Roman V.
Publisher: name: arXiv
Year: 2012
Subjects: subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: Instrumentation and Methods for Astrophysics (astro-ph.IM)
subject: FOS: Physical sciences

description: We perform a detailed analysis of the latest HARPS and Keck radial velocity data for the planet-hosting red dwarf GJ581, which attracted a lot of attention in recent time. We show that these data contain important correlated noise component ("red noise") with the correlation timescale of the order of 10 days. This red noise imposes a lot of misleading effects while we work in the traditional white-noise model. To eliminate these misleading effects, we propose a maximum-likelihood algorithm equipped by an extended model of the noise structure. We treat the red noise as a Gaussian random process with exponentially decaying correlation function. Using this method we prove that: (i) planets b and c do exist in this system, since they can be independently detected in the HARPS and Keck data, and regardless of the assumed noise models; (ii) planet e can also be confirmed independently by the both datasets, although to reveal it in the Keck data it is mandatory to take the red noise into account; (iii) the recently announced putative planets f and g are likely just illusions of the red noise; (iv) the reality of the planet candidate GJ581 d is questionable, because it cannot be detected from the Keck data, and its statistical significance in the HARPS data (as well as in the combined dataset) drops to a marginal level of $\sim 2σ$, when the red noise is taken into account. Therefore, the current data for GJ581 really support existence of no more than four (or maybe even only three) orbiting exoplanets. The planet candidate GJ581 d requests serious observational verification.
description: 19 pages, 12 figures, 3 tables; accepted to MNRAS
Formation of Small Craters in the Lunar Regolith: How Do They Influence the Preservation of Ancient Melt at the Surface?
Creators: name: Liu, Tiantian
name: Michael, Gregory
name: Haber, Thomas
name: Wünnemann, Kai
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: moon
subject: melt distribution
subject: lunar bombardment history
subject: 500 Naturwissenschaften und Mathematik::520 Astronomie::523 Einzelne Himmelskörper und Himmelsphänomene

description: The impact melt that records the formation time of basins is essential for the understanding of the lunar bombardment history. To better understand melt distribution on the Moon, this study investigates mixing of melt by small impacts using a Monte Carlo numerical model. The obtained mixing behavior is then integrated into a larger scale model developed in previous work. While large impacts produce most of the melt volume in both the regolith and megaregolith, we find that the dominant source of melt near the surface is small impacts. Material in the top meter is affected mainly by impacts that form craters <5 km in diameter. In the uppermost 10 cm, melt with age <0.5 Ga is abundant; while as depth increases older melt is increasingly present. This may indicate that the excess of impact melt <0.5 Ga in lunar samples from the near surface is caused by the cumulative mixing of small impacts. A comparison of the age distribution of melt derived from craters of different sizes with that of impact glass constrains the size of spherule-forming impacts. Our model is consistent with observations if most impact glass spherules from the near surface are produced by <100 m craters and >100 m craters do not contribute abundant spherules. The distribution of the datable melt with depth is also analyzed, which is essential for future sampling missions. Excavated materials of young and large craters (>100 m on highlands; >10 km on maria) appear to be the most fruitful targets.
The curvature of branes, currents and gravity in matrix models
Creators: name: Steinacker, Harold
Publisher: name: arXiv
Year: 2012
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: General Relativity and Quantum Cosmology (gr-qc)
subject: FOS: Physical sciences

description: The curvature of brane solutions in Yang-Mills matrix models is expressed in terms of conserved currents associated with global symmetries of the model. This implies a relation between the Ricci tensor and the energy-momentum tensor due to the basic matrix model action, without invoking an Einstein-Hilbert term. The coupling is governed by the extrinsic curvature of the brane embedding, which arises naturally for compactified brane solutions. The effective gravity on the brane is thereby related to the compactification moduli, and protected from quantum corrections due to the relation with global symmetries.
description: 28 pages. V2: typos fixed, published version
On the sharpness of Mockenhaupt's restriction theorem
Creators: name: Hambrook, Kyle
name: Laba, Izabella
Publisher: name: arXiv
Year: 2012
Subjects: subject: Classical Analysis and ODEs (math.CA)
subject: FOS: Mathematics
subject: 28A78, 42A32, 42A38, 42A45

description: We prove that the range of exponents in Mockenhaupt's restriction theorem for Salem sets, with the endpoint estimate due to Bak and Seeger, is optimal.
description: The accepted version, to appear in GAFA. The final publication is available at http://link.springer.com/article/10.1007/s00039-013-0240-9
Electrical conductivity of quark matter at finite T under external magnetic field
Creators: name: Nam, Seung-il
Publisher: name: arXiv
Year: 2012
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: High Energy Physics - Lattice (hep-lat)
subject: Nuclear Theory (nucl-th)
subject: FOS: Physical sciences

description: We investigate the electrical conductivity (sigma) of quark matter via the Kubo formula at finite temperature and zero quark density (T>0, mu=0) in the presence of an external strong magnetic field. For this purpose, we employ the dilute instanton-liquid model, taking into account its temperature modification with the trivial-holonomy caloron distribution. By doing that, the momentum and temperature dependences for the effective quark mass and model renormalization scale are carefully evaluated. From the numerical results, it turns out that sigma\approx(0.02 ~ 0.15)/fm for T=(0 ~ 400) MeV with the relaxation time tau=(0.3 ~ 0.9) fm. In addition, we also parameterize the electrical conductivity as sigma/T ~ (0.46,0.77,1.08,1.39)C_EM for tau=(0.3,0.5,0.7,0.9) fm, respectively. These results are well compatible with other theoretical estimations, including those from the lattice QCD simulations. It also turns out that the external magnetic field plays only a minor role for sigma even for the very strong one B_0 ~ m^2_pi*10 and becomes relatively effective for T\lesssim200 MeV. Moreover, we compute the soft photon emission rate from the quark-gluon plasma, using the electrical conductivity calculated.
description: 9 pages, 4 figures, accepted for publication in PRD
Gravitational waves from smooth hybrid new infation
Creators: name: Kawasaki, Masahiro
name: Saikawa, Ken'ichi
name: Takeda, Naoyuki
Publisher: name: arXiv
Year: 2012
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: We calculate the production of the gravitational waves from a double inflation model with lattice simulations. Between the two inflationary stages, gravitational waves with a characteristic frequency are produced by fluctuations of the scalar fields enhanced through parametric resonance. The wavelength of the produced gravitational waves gets extra redshift during the second inflationary stage and it can be in the observable range for the direct gravitational wave detectors. It is found that there is a possibility for the produced gravitational waves to be detected in the planned experiments.
description: 23 pages, 6 figures
Extraordinary human energy consumption and resultant geological impacts beginning around 1950 CE initiated the proposed Anthropocene Epoch
Creators: name: Syvitski, Jaia
name: Waters, Colin N.
name: Day, John
name: Milliman, John D.
name: Summerhayes, Colin
name: Steffen, Will
name: Zalasiewicz, Jan
name: Cearreta, Alejandro
name: Galuszka, Agnieszka
name: Leinfelder, Reinhold
Publisher: name: Freie Universität Berlin
Year: 2020
Subjects: subject: Climate sciences
subject: Energy and society
subject: Environmental sciences
subject: 500 Naturwissenschaften und Mathematik::550 Geowissenschaften, Geologie::550 Geowissenschaften

description: Growth in fundamental drivers—energy use, economic productivity and population—can provide quantitative indications of the proposed boundary between the Holocene Epoch and the Anthropocene. Human energy expenditure in the Anthropocene, ~22 zetajoules (ZJ), exceeds that across the prior 11,700 years of the Holocene (~14.6 ZJ), largely through combustion of fossil fuels. The global warming effect during the Anthropocene is more than an order of magnitude greater still. Global human population, their productivity and energy consumption, and most changes impacting the global environment, are highly correlated. This extraordinary outburst of consumption and productivity demonstrates how the Earth System has departed from its Holocene state since ~1950 CE, forcing abrupt physical, chemical and biological changes to the Earth’s stratigraphic record that can be used to justify the proposal for naming a new epoch—the Anthropocene.
$h \rightarrow γγ$ excess and Dark Matter from Composite Higgs Models
Creators: name: Chala, Mikael
Publisher: name: arXiv
Year: 2012
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: FOS: Physical sciences

description: Composite Higgs Models are very appealing candidates for a natural realization of electroweak symmetry breaking. Non minimal models could explain the recent Higgs data from ATLAS, CMS and Tevatron experiments, including the excess in the amount of diphoton events, as well as provide a natural dark matter candidate. In this article, we study a Composite Higgs model based on the coset $SO(7)/G2$. In addition to the Higgs doublet, one $SU(2)_L$ singlet of electric charge one, $κ^\pm$, as well as one singlet $η$ of the whole Standard Model group arise as pseudo-Goldstone bosons. $κ^\pm$ and $η$ can be responsible of the diphoton excess and dark matter respectively.
description: 27 pages, 14 figures. V2: added references, corrected typos, accepted for publication in JHEP
Waterfront archaeology in Britain and northern Europe
Creators: name: Lüdtke, Hartwig
Publisher: name: Germania : Anzeiger der Römisch-Germanischen Kommission des Deutschen Archäologischen Instituts
Year: 2019

description: Rezension zu: Waterfront archaeology in Britain and northern Europe. Edited by Gustav Milne and Brian Hobley. A review of current research in waterfront archaeology in six European countries, based on the papers presented to the First International Conference on Waterfront Archaeology in North European Towns held at the Museum of London on 20-22 April 1979. CBA Research Report 41. The Council for British Archaeology, London 1981. ISBN 0-906780-08-X. XI und 156 Seiten mit 130 Abbildungen.
description: Germania : Anzeiger der Römisch-Germanischen Kommission des Deutschen Archäologischen Instituts, Bd. 67 Nr. 1 (1989)
Simulation of Charged Systems in Heterogeneous Dielectric Media via a True Energy Functional
Creators: name: Jadhao, Vikram
name: Solis, Francisco J.
name: de la Cruz, Monica Olvera
Publisher: name: arXiv
Year: 2012
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: For charged systems in heterogeneous dielectric media, a key obstacle for molecular dynamics (MD) simulations is the need to solve the Poisson equation in the media. This obstacle can be bypassed using MD methods that treat the local polarization charge density as a dynamic variable, but such approaches require access to a true free energy functional; one that evaluates to the equilibrium electrostatic energy at its minimum. In this letter, we derive the needed functional. As an application, we develop a Car-Parrinello MD method for the simulation of free charges present near a spherical emulsion droplet separating two immiscible liquids with different dielectric constants. Our results show the presence of non-monotonic ionic profiles in the dielectric with lower dielectric constant.
Visible-Light-Mediated Oxidative Debenzylation Enables the Use of Benzyl Ethers as Temporary Protecting Groups
Creators: name: Cavedon, Cristian
name: Sletten, Eric T.
name: Madani, Amiera
name: Niemeyer, Olaf
name: Seeberger, Peter H.
name: Pieber, Bartholomaeus
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: Ethers
subject: Protective groups
subject: Pharmaceuticals
subject: Selectivity
subject: Irradiation
subject: 500 Naturwissenschaften und Mathematik::540 Chemie::540 Chemie und zugeordnete Wissenschaften

description: The cleavage of benzyl ethers by catalytic hydrogenolysis or Birch reduction suffers from poor functional group compatibility and limits their use as a protecting group. The visible-light-mediated debenzylation disclosed here renders benzyl ethers temporary protective groups, enabling new orthogonal protection strategies. Using 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) as a stoichiometric or catalytic photooxidant, benzyl ethers can be cleaved in the presence of azides, alkenes, and alkynes. The reaction time can be reduced from hours to minutes in continuous flow.
Molecular Architectures Tuned by Non-Covalent Interactions for the Study and Development of Functional Materials
Creators: name: Singh, Abhishek
Publisher: name: Monash University
Year: 2021
Subjects: classificationCode: 340399
subject: Macromolecular and materials chemistry not elsewhere classified

description: The work shown in the thesis attempts to understand the conformational and redox space of biomolecules and work towards the development of bio-inspired materials. The goal was achieved by developing new chemistries to unveil the structure-function relationships of biological systems using their simple synthetic substitutes. Experimental investigations in conjunction with computational tools helped us to unveil the structure-property map of melanin-based catecholamine bio-polymers and provided the framework to develop thin-film coatings that resulted in ultra-smooth surface chemistries. The findings reported here will be important in view of the putative link between melanin-related disorders such as skin cancer and are expected to contribute towards the development of melanin-like artificial materials.
Genealogy from a distance: the media of correspondence and the Mormon church, 1910–45
Creators: name: Hjorthén, Adam
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: correspondence
subject: Mormon church
subject: Sweden
subject: 900 Geschichte und Geografie::940 Geschichte Europas::948 Geschichte Skandinaviens

description: This article adopts a media historical approach to studying the modern history of genealogy, suggesting an alternative to both the dominant methodologies and periodization of the field. Empirically, it focuses on the ways in which correspondence was adopted as a tool for long-distance research by the Church of Jesus Christ of Latter-day Saints in 1910–45, examining in particular its research networks in Sweden. The article demonstrates that letter-writing was a research method dependent on record accessibility and interpersonal reliability. It also had the benefit of becoming its own resource, sustaining its relevance into the twenty-first century.
QFT in the flat chart of de Sitter space
Creators: name: Korai, Yusuke
name: Tanaka, Takahiro
Publisher: name: arXiv
Year: 2012
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: We study the correlators for interacting quantum field theory in the flat chart of de Sitter space at all orders in perturbation. The correlators are calculated in the in-in formalism which are often applied to the calculations in the cosmological perturbation. It is shown that these correlators are de Sitter invariant. They are compared with the correlators calculated based on the Euclidean field theory. We then find that these two correlators are identical. This correspondence has been already shown graph by graph but we give an alternative proof of it by direct calculation.
description: 24 pages, 7 figures. References added with some minor corrections. To appear in Phys. Rev. D
Strain-induced dispersive Landau levels: Application in twisted honeycomb magnets
Creators: name: Liu, Tianyu
name: Shi, Zheng
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: Elastic deformation
subject: Landau levels
subject: Magnons
subject: 500 Naturwissenschaften und Mathematik::530 Physik::530 Physik

description: Elastic strain is known to spatially modulate the wave-function overlap of the atoms on the lattice and can drastically alter the properties of the quasiparticles. For example, strain in Dirac matter can be interpreted as an elastic gauge field inducing Landau levels. We here propose a general method resolving the dispersion of the strain-induced Landau levels in two-dimensional Dirac materials, regardless of the particular space dependence of the applied strain. We illustrate such a method with the twist-induced magnon Landau levels in honeycomb quantum magnet nanoribbons. For ferromagnetic nanoribbons, dispersive Dirac-Landau levels are induced in the center of the magnon bands, while for antiferromagnetic nanoribbons, the twist results in dispersive equidistant Landau levels at the top of the magnon bands.
Inhalt
Creators: name: Redaktion, Die
Publisher: name: Germania : Anzeiger der Römisch-Germanischen Kommission des Deutschen Archäologischen Instituts
Year: 2019

description: -
description: Germania : Anzeiger der Römisch-Germanischen Kommission des Deutschen Archäologischen Instituts, Bd. 67 Nr. 2 (1989)
Evaluating demand side factors that affect institutional credit use and profitability of small-scale growers of roots and tubers: evidence from Cameroon's South West region
Creators: name: Fani, Djomo Choumbou Raoul
name: Tabetando, Rayner
name: Nathanel, Ndaghu Ndonkeu
name: Henrietta, Ukpe Udeme
name: Nkwi, Gama Emmanuel
name: Divine, Esuh Nnoko
name: Sani, Mohammadou
name: Sumaka, Chahul Emmanuel
name: Emmanuel, Oben Njock
name: Fani, Djomo Choumbou Raoul
name: Tabetando, Rayner
name: Nathanel, Ndaghu Ndonkeu
name: Henrietta, Ukpe Udeme
name: Nkwi, Gama Emmanuel
name: Divine, Esuh Nnoko
name: Sani, Mohammadou
name: Sumaka, Chahul Emmanuel
name: Emmanuel, Oben Njock
Publisher: name: Unknown
Year: 2022
Subjects: subject: Agricultural Finance
subject: Farm Management
subject: demand side
subject: institution
subject: credit use
subject: root and tuber
subject: small scale
subject: profitability

description: In this study, demand-side variables affecting the use of institutional finance with small-scale growers of roots and tubers profitability in Cameroon’s southwest are investigated. Using a multi-step stratified and straightforward random sample process, 837 respondents were chosen. In study was found that as farm size grows, so does the likelihood of loan need. A farmer with more years of farming expertise has more opportunities to use and demand finance. Credit institutions are more willing to lend to couples because they believe they will be able to repay the loans collectively. Educated farmers are certain that using borrowing to grow their investment will yield output that will cover their loan repayments due to their knowledge of production processes and record keeping. Further, the profitability of institutional credit users for cassava, cocoyam, and yam was higher than that of non-users of institutional credit. New techniques for identifying financially disadvantaged rural poor in the Region should be created by focusing on metrics that would increase the efficiency of entrepreneurs and take them closer to the production frontier. One of these solutions may be for the government to encourage microfinance institutions to lend to businesses in the form of inputs rather than cash.
Structure of the phonon vacuum state
Creators: name: Mishev, S.
Publisher: name: arXiv
Year: 2012
Subjects: subject: Nuclear Theory (nucl-th)
subject: FOS: Physical sciences

description: The action of the long-range residual force on the expectation value of observables in the nuclear ground states is evaluated by finding optimal values for the coefficients of the canonical transformation which connects the phonon vacuum state with the (quasi-)particle ground-state. After estimating the improvements over the predictions of the independent-particle approximation we compare the ground-state wave functions, obtained using the presented approach, with those, obtained using the conventional random phase approximation (RPA) and its extended version. The problem with overbinding of the nuclear ground state calculated using the RPA is shown to be removed if one sticks to the prescriptions of the present approach. The reason being that the latter conforms to the original variational formulation. Calculations are performed within the two-level Lipkin-Meshkov-Glick model in which we present results for the ground and first excited state energies as well as for the ground-state particle occupation numbers.
description: 11pages, 4 figures
Computational strategies to combat COVID-19: useful tools to accelerate SARS-CoV-2 and coronavirus research
Creators: name: Hufsky, Franziska
name: Lamkiewicz, Kevin
name: Almeida, Alexandre
name: Aouacheria, Abdel
name: Arighi, Cecilia
name: Bateman, Alex
name: Baumbach, Jan
name: Beerenwinkel, Niko
name: Hoffmann, Marie
name: Reinert, Knut
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: virus bioinformatics
subject: SARS-CoV-2
subject: sequencing
subject: epidemiology
subject: drug design
subject: tools
subject: 500 Naturwissenschaften und Mathematik::570 Biowissenschaften; Biologie::570 Biowissenschaften; Biologie

description: SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) is a novel virus of the family Coronaviridae. The virus causes the infectious disease COVID-19. The biology of coronaviruses has been studied for many years. However, bioinformatics tools designed explicitly for SARS-CoV-2 have only recently been developed as a rapid reaction to the need for fast detection, understanding and treatment of COVID-19. To control the ongoing COVID-19 pandemic, it is of utmost importance to get insight into the evolution and pathogenesis of the virus. In this review, we cover bioinformatics workflows and tools for the routine detection of SARS-CoV-2 infection, the reliable analysis of sequencing data, the tracking of the COVID-19 pandemic and evaluation of containment measures, the study of coronavirus evolution, the discovery of potential drug targets and development of therapeutic strategies. For each tool, we briefly describe its use case and how it advances research specifically for SARS-CoV-2. All tools are free to use and available online, either through web applications or public code repositories. Contact:evbc@unj-jena.de
CoBold: a method for identifying different functional classes of transient RNA structure features that can impact RNA structure formation in vivo
Creators: name: Martín, Adrián López
name: Mounir, Mohamed
name: Meyer, Irmtraud M.
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: Nucleic acid structure
subject: Computational Methods
subject: RNA structure formation
subject: 500 Naturwissenschaften und Mathematik::570 Biowissenschaften; Biologie::570 Biowissenschaften; Biologie

description: RNA structure formation in vivo happens co-transcriptionally while the transcript is being made. The corresponding co-transcriptional folding pathway typically involves transient RNA structure features that are not part of the final, functional RNA structure. These transient features can play important functional roles of their own and also influence the formation of the final RNA structure in vivo. We here present CoBold, a computational method for identifying different functional classes of transient RNA structure features that can either aid or hinder the formation of a known reference RNA structure. Our method takes as input either a single RNA or a corresponding multiple-sequence alignment as well as a known reference RNA secondary structure and identifies different classes of transient RNA structure features that could aid or prevent the formation of the given RNA structure. We make CoBold available via a web-server which includes dedicated data visualisation.
Cubature rules for weakly and fully compressible off-lattice Boltzmann methods
Creators: name: Wilde, Dominik
name: Krämer, Andreas
name: Bedrunka, Mario
name: Reith, Dirk
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: Lattice Boltzmann method
subject: Cubature
subject: Semi-Lagrangian
subject: Gauss–Hermite quadrature
subject: Compressible
subject: 500 Naturwissenschaften und Mathematik::510 Mathematik::510 Mathematik

description: Off-lattice Boltzmann methods increase the flexibility and applicability of lattice Boltzmann methods by decoupling the discretizations of time, space, and particle velocities. However, the velocity sets that are mostly used in off-lattice Boltzmann simulations were originally tailored to on-lattice Boltzmann methods. In this contribution, we show how the accuracy and efficiency of weakly and fully compressible semi-Lagrangian off-lattice Boltzmann simulations are increased by velocity sets derived from cubature rules, i.e., multivariate quadratures not produced by the Gauß-product rule. In particular, simulations of 2D shock-vortex interactions indicate that the cubature-derived degree-nine D2Q19 velocity set is capable of replacing the Gauß-product rule-derived D2Q25. Likewise, the degree-five velocity sets D3Q13 and D3Q21, as well as a degree-seven D3V27 velocity set were successfully tested for 3D Taylor–Green vortex flows to challenge and surpass the quality of the customary D3Q27 velocity set. In compressible 3D Taylor–Green vortex flows with Mach numbers Ma = {0.5; 1.0; 1.5; 2.0} on-lattice simulations with velocity sets D3Q103 and D3V107 showed only limited stability, while the off-lattice degree-nine D3Q45 velocity set accurately reproduced the kinetic energy provided by literature.
Nonstatistical behavior of the photoionization of spin–orbit doublets
Creators: name: Püttner, Ralph
name: Martins, Jessica B.
name: Marchenko, Tatiana
name: Travnikova, Oksana
name: Guillemin, Renaud
name: Journel, Loïc
name: Ismail, Iyas
name: Goldsztejn, Gildas
name: Koulentianos, Dimitris
name: Céolin, Denis
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: photoionization
subject: interchannel coupling
subject: relativistic effects
subject: 500 Naturwissenschaften und Mathematik::530 Physik::530 Physik

description: The photoionization branching ratios of spin–orbit doublets are studied both experimentally and theoretically at energies several keV above threshold. The results show significant relativistic effects for Ar 2p in the autoionizing region below the 1s threshold, and large many-body effects for Xe 3d and 4d in the vicinity of the L-shell thresholds. The branching ratios in Xe are also found to vary significantly over very broad multi-keV energy regions both above and below the inner-shell thresholds. In addition, the Ar 2p study confirms experimentally the decades-old theoretical prediction that the nonresonant branching ratio does not approach the statistical (nonrelativistic) value, and, in fact, progressively diverges from statistical with increasing photon energy.
Performance Constraint and Power-Aware Allocation For User Requests In Virtual Computing Lab
Creators: name: Quang-Hung, Nguyen
name: Thoai, Nam
name: Son, Nguyen Thanh
Publisher: name: arXiv
Year: 2012
Subjects: subject: Distributed, Parallel, and Cluster Computing (cs.DC)
subject: FOS: Computer and information sciences

description: Cloud computing is driven by economies of scale. A cloud system uses virtualization technology to provide cloud resources (e.g. CPU, memory) to users in form of virtual machines. Virtual machine (VM), which is a sandbox for user application, fits well in the education environment to provide computational resources for teaching and research needs. In resource management, they want to reduce costs in operations by reducing expensive cost of electronic bill of large-scale data center system. A lease-based model is suitable for our Virtual Computing Lab, in which users ask resources on a lease of virtual machines. This paper proposes two host selection policies, named MAP (minimum of active physical hosts) and MAP-H2L, and four algorithms solving the lease scheduling problem. FF-MAP, FF-MAP-H2L algorithms meet a trade-off between the energy consumption and Quality of Service (e.g. performance). The simulation on 7-day workload, which converted from LLNL Atlas log, showed the FF-MAP and FF-MAP-H2L algorithms reducing 7.24% and 7.42% energy consumption than existing greedy mapping algorithm in the leasing scheduler Haizea. In addition, we introduce a ratio θof consolidation in HalfPI-FF-MAP and PI-FF-MAP algorithms, in which θis π/2 and π, and results on their simulations show that energy consumption decreased by 34.87% and 63.12% respectively.
description: 10 pages
The Hierarchy-of-Hypotheses Approach: A Synthesis Method for Enhancing Theory Development in Ecology and Evolution
Creators: name: Heger, Tina
name: Aguilar-Trigueros, Carlos A.
name: Bartram, Isabelle
name: Braga, Raul Rennó
name: Dietl, Gregory P.
name: Enders, Martin
name: Gibson, David J.
name: Gómez-Aparicio, Lorena
name: Lokatis, Sophie
name: Jeschke, Jonathan M.
Publisher: name: Freie Universität Berlin
Year: 2021
Subjects: subject: hierarchy-of-hypotheses approach
subject: knowledge synthesis
subject: theory development
subject: structuring ideas
subject: linking evidence to theory
subject: 500 Naturwissenschaften und Mathematik::570 Biowissenschaften; Biologie::570 Biowissenschaften; Biologie

description: In the current era of Big Data, existing synthesis tools such as formal meta-analyses are critical means to handle the deluge of information. However, there is a need for complementary tools that help to (a) organize evidence, (b) organize theory, and (c) closely connect evidence to theory. We present the hierarchy-of-hypotheses (HoH) approach to address these issues. In an HoH, hypotheses are conceptually and visually structured in a hierarchically nested way where the lower branches can be directly connected to empirical results. Used for organizing evidence, this tool allows researchers to conceptually connect empirical results derived through diverse approaches and to reveal under which circumstances hypotheses are applicable. Used for organizing theory, it allows researchers to uncover mechanistic components of hypotheses and previously neglected conceptual connections. In the present article, we offer guidance on how to build an HoH, provide examples from population and evolutionary biology and propose terminological clarifications.
Mutual information between thermo-field doubles and disconnected holographic boundaries
Creators: name: Morrison, Ian A.
name: Roberts, Matthew M.
Publisher: name: arXiv
Year: 2012
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: We use mutual information as a measure of the entanglement between 'physical' and thermo-field double degrees of freedom in field theories at finite temperature. We compute this "thermo-mutual information" in simple toy models: a quantum mechanics two-site spin chain, a two dimensional massless fermion, and a two dimensional holographic system. In holographic systems, the thermo-mutual information is related to minimal surfaces connecting the two disconnected boundaries of an eternal black hole. We derive a number of salient features of this thermo-mutual information, including that it is UV finite, positive definite and bounded from above by the standard mutual information for the thermal ensemble. We relate the construction of the reduced density matrices used to define the thermo-mutual information to the Schwinger-Keldysh formalism, ensuring that all our objects are well defined in Euclidean and Lorentzian signature.
description: 31 pp., 8 figures. v.2: Expanded discussion. To appear in JHEP