cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Carbon-13 studies of sulphur-terminated carbon chains: chemical bonding, molecular structures, and formation pathways
Creators: name: McCarthy, Michael C.
name: Lee, Kin Long Kelvin
name: Porterfield, Jessica P.
name: Changala, P. Bryan
name: Eckhardt, André K.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biochemistry
subject: Cell Biology
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Developmental Biology
subject: Hematology
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology

description: The rotational spectra of the singly substituted carbon-13 isotopic species of six sulphur-terminated carbon chains have been detected between 5 and 40 GHz using a supersonic discharge jet source in combination with a cavity Fourier transform microwave spectrometer. These molecules are HC3HS, a closed-shell isomer of H2C3S, and five radicals: HCCS, HC3S, HC4S, HC5S and C4S. Experiments were carried out with precursors enriched in 13C, either high purity H13C2H, a statistical sample of 13C/12C acetylene, or 13CS2. From the 13C hyperfine coupling constants, the unpaired electronic density along the chain can be quantified for the radical species, while precise experimental structures (r0) can be derived for each chain except HC5S by a least-squares fit to the rotational constants. The use of 13CS2 is particularly revealing in that it provides important clues as to the major formation pathway for each chain in our discharge nozzle. Somewhat surprisingly, 13C from this precursor appears to be substituted in one of three distinct ways: statistical, a single C site, or not at all. This propensity is molecule specific, implying that multiple formation pathways are operative.
MagNetUS 2021 - Day 1 - B. Amatucci - Modeling Space Plasma Processes in the NRL Space Physics Simulation Chamber
Creators: name: Amatucci, Bill
Publisher: name: Zenodo
Year: 2021

description: MagNetUS 2021 - Day 1
 Speaker: Bill Amatucci
 Title: Modeling Space Plasma Processes in the NRL Space Physics Simulation Chamber
Oxidation mechanism of ammonia in water clusters
Creators: name: Acosta, Yanitza
name: Gerber, R. Benny
name: Varner, Mychel E.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Genetics
subject: FOS: Biological sciences
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Biological Sciences not elsewhere classified
subject: Marine Biology
subject: Inorganic Chemistry
subject: FOS: Chemical sciences

description: Oxidation of ammonia is an important atmospheric process, but detailed mechanisms are for the most part yet unknown. Here the later steps in a mechanism forming nitric oxide and water from NH2 and O2 are studied. The transition states for isomerisation of NH2OO to HNOOH and for dissociation of HNOOH to HNO and OH are identified and the subsequent formation of nitric oxide and water is discussed. This process is studied in small water clusters to model the effect of the nearest neighbouring water molecules in larger clusters or at extended surfaces, demonstrating the effect of solvation in lowering the barrier height for NH2OO to HNOOH isomerisation. Proton transfer through the surrounding water provides a feasible reaction path in this system. As a result, it is shown that the high barrier for isomerisation between intermediates in the gas phase is not likely to prevent ammonia oxidation in small water clusters or aerosols.
Time-Ordered Product Expansions for Computational Stochastic Systems Biology
Creators: name: Mjolsness, Eric
Publisher: name: arXiv
Year: 2012
Subjects: subject: Quantitative Methods (q-bio.QM)
subject: Computational Engineering, Finance, and Science (cs.CE)
subject: Adaptation and Self-Organizing Systems (nlin.AO)
subject: FOS: Biological sciences
subject: FOS: Computer and information sciences
subject: FOS: Physical sciences

description: The time-ordered product framework of quantum field theory can also be used to understand salient phenomena in stochastic biochemical networks. It is used here to derive Gillespie's Stochastic Simulation Algorithm (SSA) for chemical reaction networks; consequently, the SSA can be interpreted in terms of Feynman diagrams. It is also used here to derive other, more general simulation and parameter-learning algorithms including simulation algorithms for networks of stochastic reaction-like processes operating on parameterized objects, and also hybrid stochastic reaction/differential equation models in which systems of ordinary differential equations evolve the parameters of objects that can also undergo stochastic reactions. Thus, the time-ordered product expansion (TOPE) can be used systematically to derive simulation and parameter-fitting algorithms for stochastic systems.
description: Submitted to Q-Bio 2012 conference, Santa Fe, New Mexico
title: Studentenverbindungen in Heidelberg : ein Stadtrundgang
Creators: name: Dörflinger, Gabriele
Publisher: name: Heidelberg University Library
Year: 2017

description: Der Rundgang führt zu einigen Heidelberger Verbindungshäusern, die bevorzugt an der Friedrich-Ebert-Anlage, am Schlossberg und in der Neuen Schloss-Straße zu finden sind.
Der Text informiert über die Geschichte der Verbindungen und über die Baugeschichte der Verbindungshäuser.
title: Software für den Publikationsworkflow und den Peer Review Prozess
Creators: name: Hacker, Andrea
Publisher: name: deGruyter Saur
Year: 2017

description: Dieser Aufsatz stellt verschiedene Lösungswege für Erstveröffentlichungen im Open Access Gold einschließlich des Prozesses der Qualitätssicherung durch Peer Review vor. Zunächst werden einige Überlegungen angeführt, die vor der Auswahl einer Softwarelösung angestellt werden sollten. Dann werden verschiedene Softwarelösungen vorgestellt und auf die Wichtigkeit der DIstribution und Indexierung eingegangen. Ein letzter Teil bespricht die Qualitätssicherung durch Begutachtung, die im Aufbau jedes neuen Publikationsinstruments bedacht werden sollte.
Three-dimensional patchy lattice model for empty fluids
Creators: name: Almarza, N. G.
name: Tavares, J. M.
name: Noya, E. G.
name: da Gama, M. M. Telo
Publisher: name: arXiv
Year: 2012
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: The phase diagram of a simple model with two patches of type A and ten patches of type B (2A10B) on the face centred cubic lattice has been calculated by simulations and theory. Assuming that there is no interaction between the B patches the behavior of the system can be described in terms of the ratio of the AB and AA interactions, r. Our results show that, similarly to what happens for related off-lattice and two-dimensional lattice models, the liquid-vapor phase equilibria exhibits reentrant behavior for some values of the interaction parameters. However, for the model studied here the liquid-vapor phase equilibria occurs for values of r lower than 1/3, a threshold value which was previously thought to be universal for 2AnB models. In addition, the theory predicts that below r = 1/3 (and above a new condensation threshold which is < 1/3) the reentrant liquid-vapor equilibria is so extreme that it exhibits a closed loop with a lower critical point, a very unusual behavior in single-component systems. An order-disorder transition is also observed at higher densities than the liquid-vapor equilibria, which shows that the liquid-vapor reentrancy occurs in an equilibrium region of the phase diagram. These findings may have implications in the understanding of the condensation of dipolar hard spheres given the analogy between that system and the 2AnB models considered here.
description: 18 pages, 7 figures. Accepted in The Journal of Chemical Physics
Conjugation trumps cumulation: the global minimum on the C3H4O surface
Creators: name: Field-Theodore, Terri E.
name: Taylor, Peter R.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biochemistry
subject: Cell Biology
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine

description: Methylketene (CH3CHCO) and acrolein (CH2CHCHO) have received considerable attention from both theoreticians and experimentalists. In a number of computational studies, it has been identified that both isomers sit alongside their dissociation products C2H4+CO, at the bottom of the potential energy surface with energies very close to each another. The most striking feature from preliminary calculations is that the relative energy difference between methylketene and trans-acrolein (ΔE 0.8–3.4 kJ/mol) changes with respect to choice of reference geometry, correlation treatment, and basis set expansion. While the thermodynamic profile favours trans-acrolein as the lowest-lying isomer, it is difficult to estimate the quality of the currently available results, which are determined with a variety of methods. At higher levels of theory together with reducing basis set incompleteness methylketene might be the true minimum on the C3H4O potential energy surface. In addition to their being almost isoenergetic, much interest in these C3H4O isomers stems from an astrochemical standpoint. The discovery of both cis and trans-acrolein in the interstellar medium has led to speculation that methylketene may also be present. While thermodynamically methylketene proves to be a good candidate for extra-terrestrial observation, as yet there have been no reports of its detection. To this end, by applying the best correlation treatment that has been used for this species, using by far the most elaborate and accurate basis sets (up to sextuple-zeta quality), we establish the relative ordering and energetic difference between methylketene and trans-acrolein to within chemical accuracy (within 1 kJ/mol). We find the inclusion of zero-point energy, explicit core-correlation, and augmentation with diffuse functions have significant effects in determining the relative energy difference of the isomers, and assignment of the C3H4O global minimum.
Isotopic fission fragment distributions as a deep probe to fusion-fission dynamics
Creators: name: Farget, F.
name: Caamano, M.
name: Delaune, O.
name: Tarasov, O. B.
name: Derkx, X.
name: Schmidt, K. -H.
name: Amthor, A. M.
name: Audouin, L.
name: Bacri, C. -O.
name: Barreau, G.
name: Bastin, B.
name: Bazin, D.
name: Blank, B.
name: Benlliure, J.
name: Caceres, L.
name: Casarejos, E.
name: Chibihi, A.
name: Fernandez-Dominguez, B.
name: Gaudefroy, L.
name: Golabek, C.
name: Grevy, S.
name: Jurado, B.
name: Kamalou, O.
name: Lemasson, A.
name: Lukyanov, S.
name: Mittig, W.
name: Morrissey, D. J.
name: Navin, A.
name: Pereira, J.
name: Perrot, L.
name: Rejmund, M.
name: Roger, T.
name: Saint-Laurent, M. -G.
name: Savajols, H.
name: Schmitt, C.
name: Sherill, B. M.
name: Stodel, C.
name: Taieb, J.
name: Thomas, J. -C.
name: Villari, A. C.
Publisher: name: arXiv
Year: 2012
Subjects: subject: Nuclear Experiment (nucl-ex)
subject: FOS: Physical sciences

description: During the fission process, the nucleus deforms and elongates up to the two fragments inception and their final separation at scission deformation. The evolution of the nucleus energy with deformation is determined by the macroscopic properties of the nucleus, and is also strongly influenced by the single-particle structure of the nucleus. The fission fragment distribution is a direct consequence of the deformation path the nucleus has encountered, and therefore is the most genuine experimental observation of the potential energy landscape of the deforming nucleus. Very asymmetric fusion-fission reactions at energy close to the Coulomb barrier, produce well-defined conditions of the compound nucleus formation, where processes such as quasi-fission, pre-equilibrium emission and incomplete fusion are negligible. In the same time, the excitation energy is sufficient to reduce significantly structural effects, and mostly the macroscopic part of the potential is responsible for the formation of the fission fragments. We use inverse kinematics combined with spectrometers to select and identify the fission fragments produced in $^{238}$U+$^{12}$C at a bombarding energy close to and well-above the Coulomb barrier. For the first time, the isotopic yields are measured over the complete atomic-number distribution, between Z=30 and Z=63. The experimental set-up also allows to identify transfer-induced reactions, which lead to low-energy fission where the nuclear shell structure shows a strong influence on the fission-fragment distributions. The resulting set of data gives the possibility to observe the fission fragment properties over a wide range of excitation energy, and they reveal the vanishing of the shell effects in the potential energy of the fissioning nucleus, as well as the influence of fission dynamics.
description: Invited Plenary Talk given at the 11th International Conference on Nucleus-Nucleus Collisions (NN2012), San Antonio, Texas, USA, May 27-June 1, 2012. To appear in the NN2012 Proceedings in Journal of Physics: Conference Series (JPCS)
Stochastic resonance on the transverse displacement of swimmers in an oscillatory shear flow
Creators: name: Guzman-Lastra, Francisca
name: Soto, Rodrigo
Publisher: name: arXiv
Year: 2012
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: Biological Physics (physics.bio-ph)
subject: Fluid Dynamics (physics.flu-dyn)
subject: FOS: Physical sciences

description: Self-propelled microorganisms, such as unicellular algae or bacteria, swim along their director relative to the fluid velocity. Under a steady shear flow the director rotates in close orbit, a periodic structure that is preserved under an oscillatory shear flow. If the shear flow is subjected to small fluctuations produced by small irregularities in the microchannel or by other swimmers nearby, the director dynamics becomes stochastic. Numerical integration of the swimmer motion shows that there is stochastic resonance: The displacement in the vorticity direction is maximized for a finite noise intensity. This transverse displacement resonance is observed when the displacement is coarse grained over several periods, although the director is preferentially oriented along the flow. The resonant noise intensity is proportional to the oscillation frequency and independent of the shear rate. The enhanced displacement can have effects on the transverse diffusion of swimmers and the rheology of the suspension.
description: 5 pages, 4 figures + Supporting information. Phys. Rev. E (accepted)
title: A Quantum Theoretical Approach to Hard X-ray Time-Domain Interferometry
Creators: name: Castrignano, Salvatore
Publisher: name: Heidelberg University Library
Year: 2019

description: In this work we present a quantum theoretical account of hard x-ray time-domain interferometry, which is an experimental technique to probe the correlations in time between particles in a condensed matter system via their interaction with hard x-radiation.
This technique has so far been successfully applied to classical systems. The recent proposal of using the same technique on systems for which quantum effects play a major role requires a detailed analysis due to the dramatic effect that the measurement act can have on the dynamics of a quantum system. In particular, trying to access the correlations in a quantum system via direct measurements would give only incomplete information about
them.
Treating both the probed matter system and the probing radiation as quantum systems which interact weakly, we show that in time-domain interferometry the radiation does not affect the system in the above sense, such that it can access the particles correlations in time fully. Furthermore, in view of some recent advancements in x-ray control, it is proposed that time-domain interferometry can be used for the reconstruction of particles correlations and for detecting the presence of quantum effects in the probed system.
Domain variations of the first eigenvalue via a strict Faber-Krahn type inequality
Creators: name: Anoop, T. V.
name: Kumar, K. Ashok
Publisher: name: arXiv
Year: 2022
Subjects: subject: Analysis of PDEs (math.AP)
subject: Optimization and Control (math.OC)
subject: Spectral Theory (math.SP)
subject: FOS: Mathematics
subject: 5J92, 49Q10, 35M12, 47J10

description: For $d\geq 2$ and $\frac{2d+2}{d+2} < p < \infty $, we prove a strict Faber-Krahn type inequality for the first eigenvalue $λ_1(Ω)$ of the $p$-Laplace operator on a bounded Lipschitz domain $Ω\subset \mathbb{R}^d$ (with mixed boundary conditions) under the polarizations. We apply this inequality to the obstacle problems on the domains of the form $Ω\setminus \mathscr{O}$, where $\mathscr{O}\subset \subset Ω$ is an obstacle. Under some geometric assumptions on $Ω$ and $\mathscr{O}$, we prove the strict monotonicity of $λ_1 (Ω\setminus \mathscr{O})$ with respect to certain translations and rotations of $\mathscr{O}$ in $Ω$.
description: 21 pages, 6 figures
D1.1 PoliRural Vision For Attractive Rural Places & Professions
Creators: name: PoliRural
Publisher: name: Zenodo
Year: 2021
Subjects: Rural Areas
Rural Attractiveness
Rural Vision
Rural Challenges
Rural Needs

description: This deliverable provides an overview of the implementation of the first stage of Task 1.1 ‘Envisioning More Attractive Rural Places & Professions’. Within the task, an initial vision (i.e. definition) of rural attractiveness has been created. Main rural assets, rural needs and challenges, as well as opportunities and enablers have been identified. Also, the literature review was conducted.
 The study was implemented in several sequential steps: brainstorming (PoliRural partners); literature review; questionnaire survey (PoliRural consortium partners); reporting data summarising and evaluation.
iMagine D2.2 Innovation and Exploitation Management Plan
Creators: name: Smitesh Jain
Publisher: name: Zenodo
Year: 2023

description: This deliverable provides an overview on how project results and key exploitable results will be managed. Moreover, a plan for the stakeholder analysis and exploitation is also presented in the document. Finally, the document provides an overview of the steps that T2.1 will carry out during the next 15 months.
A black-box, general purpose quadratic self-consistent field code with and without Cholesky decomposition of the two-electron integrals
Creators: name: Nottoli, Tommaso
name: Gauss, Jürgen
name: Lipparini, Filippo
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Molecular Biology
subject: Biotechnology
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Mathematical Sciences not elsewhere classified
subject: Plant Biology

description: We present the implementation of a quadratically convergent self-consistent field (QCSCF) algorithm based on an adaptive trust-radius optimisation scheme for restricted open-shell Hartree–Fock (ROHF), restricted Hartree–Fock (RHF), and unrestricted Hartree–Fock (UHF) references. The algorithm can exploit Cholesky decomposition (CD) of the two-electron integrals to allow calculations on larger systems. The most important feature of the QCSCF code lies in its black-box nature – probably the most important quality desired by a generic user. As shown for pilot applications, it does not require one to tune the self-consistent field (SCF) parameters (damping, Pulay's DIIS, and other similar techniques) in difficult-to-converge molecules. Also, it can be used to obtain a very tight convergence with extended basis sets – a situation often needed when computing high-order molecular properties – where the standard SCF algorithm starts to oscillate. Nevertheless, trouble may appear even with a QCSCF solver. In this respect, we discuss what can go wrong, focusing on the multiple UHF solutions of ortho-benzyne.
Length distribution of stiff, self-assembled polymers at thermal equilibrium
Creators: name: Lee, Chiu Fan
Publisher: name: arXiv
Year: 2012
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: Biomolecules (q-bio.BM)
subject: FOS: Physical sciences
subject: FOS: Biological sciences

description: We investigate the length distribution of self-assembled, long and stiff polymers at thermal equilibrium. Our analysis is based on calculating the partition functions of stiff polymers of variable lengths in the elastic regime. Our conclusion is that the length distribution of this self-assembled system follows closely the exponential distribution, except at the short length limit. We then discuss the implications of our results on the experimentally observed length distributions in amyloid fibrils.
description: 8 pages, 1 figure
Enhanced superconducting pairing strength near a nonmagnetic nematic quantum critical point
Creators: name: Mukasa, K.
name: Ishida, K.
name: Imajo, S.
name: Qiu, M. W.
name: Saito, M.
name: Matsuura, K.
name: Sugimura, Y.
name: Liu, S.
name: Uezono, Y.
name: Otsuka, T.
name: Čulo, M.
name: Kasahara, S.
name: Matsuda, Y.
name: Hussey, N. E.
name: Watanabe, T.
name: Kindo, K.
name: Shibauchi, T.
Publisher: name: arXiv
Year: 2022
Subjects: subject: Superconductivity (cond-mat.supr-con)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: FOS: Physical sciences

description: The quest for high-temperature superconductivity at ambient pressure is a central issue in physics. In this regard, the relationship between unconventional superconductivity and the quantum critical point (QCP) associated with the suppression of some form of symmetry-breaking order to zero temperature has received particular attention. The key question is how the strength of the electron pairs changes near the QCP, and this can be verified by high-field experiments. However, such studies are limited mainly to superconductors with magnetic QCPs, and the possibility of unconventional mechanisms by which nonmagnetic QCP promotes strong pairing remains a nontrivial issue. Here, we report systematic measurements of the upper critical field $H_{\rm c2}$ in nonmagnetic FeSe$_{1-x}$Te$_{x}$ superconductors, which exhibit a QCP of electronic nematicity characterized by spontaneous rotational-symmetry breaking. As the magnetic field increases, the superconducting phase of FeSe$_{1-x}$Te$_{x}$ shrinks to a narrower dome surrounding the nematic QCP. The analysis of $H_{\rm c2}$ reveals that the Pauli-limiting field is enhanced toward the QCP, implying that the pairing interaction is significantly strengthened via nematic fluctuations emanated from the QCP. Remarkably, this nonmagnetic nematic QCP is not accompanied by a divergent effective mass, distinct from the magnetically mediated pairing. Our observation opens up a nonmagnetic route to high-temperature superconductivity.
description: 6 pages, 4 figures
Phase-stabilized UV light at 267 nm through twofold second harmonic generation
Creators: name: Kraus, B.
name: Dawel, F.
name: Hannig, S.
name: Kramer, J.
name: Nauk, C.
name: Schmidt, P.O.
Publisher: name: Washington, DC : Optica
Year: 2022
Subjects: subject: Harmonic generation
subject: Nonlinear optics
subject: Stability
subject: A.Fibres
subject: Aluminum ions
subject: Dewey Decimal Classification::500 | Naturwissenschaften::530 | Physik

description: Providing phase stable laser light is important to extend the interrogation time of optical clocks towards many seconds and thus achieve small statistical uncertainties. We report a laser system providing more than 50 µW phase-stabilized UV light at 267.4 nm for an aluminium ion optical clock. The light is generated by frequency-quadrupling a fibre laser at 1069.6 nm in two cascaded non-linear crystals, both in single-pass configuration. In the first stage, a 10 mm long PPLN waveguide crystal converts 1 W fundamental light to more than 0.2 W at 534.8 nm. In the following 50 mm long DKDP crystal, more than 50 µW of light at 267.4 nm are generated. An upper limit for the passive short-term phase stability has been measured by a beat-node measurement with an existing phase-stabilized quadrupling system employing the same source laser. The resulting fractional frequency instability of less than 5×10−17 after 1 s supports lifetime-limited probing of the 27Al+ clock transition, given a sufficiently stable laser source. A further improved stability of the fourth harmonic light is expected through interferometric path length stabilisation of the pump light by back-reflecting it through the entire setup and correcting for frequency deviations. The in-loop error signal indicates an electronically limited instability of 1 × 10−18 at 1 s.
Two-dimensional MHD models of solar magnetogranulation. Testing of the models and methods of Stokes diagnostics
Creators: name: Sheminova, V. A.
Publisher: name: arXiv
Year: 2012
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: We carried out the Stokes diagnostics of new two-dimensional magnetohydrodynamic models with a continuous evolution of magnetogranulation in the course of two hours of the hydrodynamic (solar) time. Our results agree satisfactorily with the results of Stokes diagnostics of the solar small-scale flux tubes observed in quiet network elements and active plages. The straightforward methods often used in the Stokes diagnostics of solar small-scale magnetic elements were tested by means of the magnetohydrodynamic models. We conclude that the most reliable methods are the determination of magnetic field strength from the separation of the peaks in the Stokes V profiles of the infrared Fe I line 1564.8 nm and the determination of the magnetic inclination angle from the ratio tan^2 gamma approx (Q^2 + U^2)^{1/2}/V^2. The lower limits for such determinations are about 20 mT and 10 degree, respectively. We also conclude that the 2D MHD models of solar magnetogranulation are in accord with observations and may be successfully used to study magnetoconvection in the solar photosphere.
description: 14 pages, 7 figures, published by Kinematika Fiz. Nebesn. Tel (in Russian) and Kinematics Phys. Celest. Bodies (in English)
Formulation of Functional Drink with Milk Fortification: Effects on the Bioaccessibility and Intestinal Absorption of Phenolics
Creators: name: Ozkan, Gulay
name: Capanoglu, Esra
name: Esatbeyoglu, Tuba
Publisher: name: Basel : MDPI
Year: 2022
Subjects: subject: absorption efficiency
subject: bioaccessibility
subject: Caco-2
subject: catechin
subject: in vitro digestion
subject: matrix effect
subject: Rosa canina
subject: rosehip
subject: Dewey Decimal Classification::500 | Naturwissenschaften::580 | Pflanzen (Botanik)

description: Due to a turn toward to functional foods with improved nutritional value, rosehip could be an appropriate candidate to create formulations using a milk matrix. In the present study, the influence of bovine or almond milk fortification on the bioaccessibility and intestinal absorption of rosehip infusion phenolics, mainly catechin, were investigated by a combined method of an in vitro gastrointestinal digestion/Caco-2 cell culture model. The results indicated that bovine (IB) or almond milk (IA) fortification enhanced the retention of total phenolics (TPC; increase of 8.1% and 20.3% for IB and IA, respectively), while there was a decline in the total flavonoids (TFC; decrease of 64% and 17% for IB and IA, respectively) and antioxidant capacity measured by CUPRAC assay (decrease of 15% and 4% for IB and IA, respectively) throughout the gastrointestinal tract in comparison with the control sample (IC). Then, based on the cytotoxicity (SRB) assay, 1/5 times diluted digests were subjected to transepithelial transportation of Caco-2 cells. According to the results, the bovine milk matrix positively affected the transportation of phenolics across the epithelial cell layer. It could be concluded that it is possible to produce functional infusion drinks with improved stability, bioaccessibility, and absorption efficiency of rosehip phenolics in the formulations containing milk matrix.
Instrumentelle Multi-Elementaranalyse archäologischer Kupfer- und Bronzeartefakte: Ein Methodenvergleich
Creators: name: Pernicka, Ernst
Publisher: name: Jahrbuch des Römisch-Germanischen Zentralmuseums Mainz
Year: 2019

description: -
description: Jahrbuch des Römisch-Germanischen Zentralmuseums Mainz, Bd. 31 (1984)
Improved bounds on Lorentz violation from composite pulse Ramsey spectroscopy in a trapped ion
Creators: name: Dreissen, Laura S.
name: Yeh, Chih-Han
name: Fürst, Henning A.
name: Grensemann, Kai C.
name: Mehlstäubler, Tanja E.
Publisher: name: [London] : Nature Publishing Group UK
Year: 2022
Subjects: subject: composite
subject: crystal
subject: fundamental particle
subject: magnetic susceptibility
subject: spectroscopy
subject: Dewey Decimal Classification::500 | Naturwissenschaften

description: In attempts to unify the four known fundamental forces in a single quantum-consistent theory, it is suggested that Lorentz symmetry may be broken at the Planck scale. Here we search for Lorentz violation at the low-energy limit by comparing orthogonally oriented atomic orbitals in a Michelson-Morley-type experiment. We apply a robust radiofrequency composite pulse sequence in the 2F7/2 manifold of an Yb+ ion, extending the coherence time from 200 μs to more than 1 s. In this manner, we fully exploit the high intrinsic susceptibility of the 2F7/2 state and take advantage of its exceptionally long lifetime. We match the stability of the previous best Lorentz symmetry test nearly an order of magnitude faster and improve the constraints on the symmetry breaking coefficients to the 10−21 level. These results represent the most stringent test of this type of Lorentz violation. The demonstrated method can be further extended to ion Coulomb crystals.
Archäometallurgische Untersuchungen in Nordwestanatolien
Creators: name: Pernicka, Ernst
name: Seeliger, Thomas C.
name: Wagner, Günther A.
name: Begemann, Friedrich
name: Schmitt-Strecker, Sigrid
name: Eibner, Clemens
name: Öztunali, Önder
name: Baranyi, István
Publisher: name: Jahrbuch des Römisch-Germanischen Zentralmuseums Mainz
Year: 2019

description: -
description: Jahrbuch des Römisch-Germanischen Zentralmuseums Mainz, Bd. 31 (1984)
Advanced self-similar solutions of regular and irregular diffusion equations
Creators: name: Barna, Imre Ferenc
name: Mátyás, László
Publisher: name: arXiv
Year: 2022
Subjects: subject: Classical Physics (physics.class-ph)
subject: Analysis of PDEs (math.AP)
subject: FOS: Physical sciences
subject: FOS: Mathematics

description: We study the diffusion equation with an appropriate change of variables. This equation is in general a partial differential equation (PDE). With the self-similar and related Ansatätze we transform the PDE of diffusion to an ordinary differential equation. The solutions of the PDE belong to a family of functions which are presented for the case of infinite horizon. In the presentation we accentuate the physically reasonable solutions. We also study time dependent diffusion phenomena, where the spreading may vary in time. To describe the process we consider time dependent diffusion coefficients. The obtained analytic solutions all can be expressed with Kummer's or Whittaker-type of functions.
description: 28 pages, 5 figures
Effective Heisenberg exchange integrals of diluted magnetic semiconductors determined within realistic multi-band tight-binding models
Creators: name: Barthel, Stefan
name: Czycholl, Gerd
name: Bouzerar, Georges
Publisher: name: arXiv
Year: 2012
Subjects: subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: Diluted magnetic semiconductors (DMS) like Ga$_{1-x}$Mn$_{x}$As are described by a realistic tight-binding model (TBM) for the (valence) bands of GaAs, by a Zener (J-)term modeling the coupling of the localized Mn-spins to the spins of the valence band electrons, and by an additional potential scattering (V-) term due to the Mn-impurities. We calculate the effective (Heisenberg) exchange interaction between two Mn-moments mediated by the valence electrons. The influence of the number of bands taken into account (6-band or 8-band TBM) and of the potential (impurity) scattering V-term is investigated. We find that for realistic values of the parameters Ð the indirect exchange integrals show a long-range, oscillating (RKKY-like) behavior, if the V-term is neglected, probably leading to spin-glass behavior rather than magnetic order. But by including a V-term of a realistic magnitude the exchange couplings become short ranged and mainly positive allowing for the possibility of ferromagnetic order. Our results are in good agreement with available results of ab-initio treatments.
description: 9 pages, 5 figures
First-principles interpretation of electron transport through single-molecule junctions using molecular dynamics of electron attached states
Creators: name: Jelenfi, Dávid P.
name: Tajti, Attila
name: Szalay, Péter G.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Medicine
subject: Biotechnology
subject: Ecology
subject: FOS: Biological sciences
subject: Information Systems not elsewhere classified

description: The electron transport through the single-molecule junction of benzene-1,4-diamine (BDA) is modelled using ab initio quantum-classical molecular dynamics of electron attached states. Observations on the nature of the process are made by time-resolved analysis of energy differences, non-adiabatic transition probabilities and the spatial distribution of the excess electron. The role of molecular vibrations that facilitate the transport by being responsible for the periodic behaviour of these quantities is shown using normal mode analysis. The results support a mechanism involving the electron's direct hopping between the electrodes, without its presence on the molecule, with the prime importance of the bending vibrations that periodically alter the molecule–electrode interactions. No relevant differences are found between results provided by the ADC(2) and SOS-ADC(2) excited state models. Our approach provides an alternative insight into the role of nuclear motions in the electron transport process, one which is more expressive from the chemical perspective.
A comparison between higher-order nonclassicalities of superposition engineered coherent and thermal states
Creators: name: Deepak
name: Chatterjee, Arpita
Publisher: name: arXiv
Year: 2022
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences
subject: 81V80

description: We consider an experimentally obtainable SUP operator, defined by using a generalized superposition of products of field annihilation ($a$) and creation ($a^\dagger$) operators of the type, $A = saa^\dagger+t{a^\dagger}a$ with $s^2+t^2=1$. We apply this SUP operator on coherent and thermal quantum states, the states thus produced are referred as SUP-operated coherent state (SOCS) and SUP-operated thermal state (SOTS), respectively. In the present work, we report a comparative study between the higher-order nonclassical properties of SOCS and SOTS. The comparison is performed by using a set of nonclassicality witnesses (e.g., higher-order antiubunching, higher-order sub-Poissonian photon statistics, higher-order squeezing, Agarwal-Tara parameter, Klyshko's condition). The existence of higher-order nonclassicalities in SOCS and SOTS have been investigated for the first time. In view of possible experimental verification of the proposed scheme, we present exact calculations to reveal the effect of non-unit quantum efficiency of quantum detector on higher-order nonclassicalities.
description: 21 pages, 20 figures
Rigorous elimination of fast stochastic variables from the linear noise approximation using projection operators
Creators: name: Thomas, Philipp
name: Grima, Ramon
name: Straube, Arthur V.
Publisher: name: arXiv
Year: 2012
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: Chemical Physics (physics.chem-ph)
subject: Molecular Networks (q-bio.MN)
subject: FOS: Physical sciences
subject: FOS: Biological sciences

description: The linear noise approximation (LNA) offers a simple means by which one can study intrinsic noise in monostable biochemical networks. Using simple physical arguments, we have recently introduced the slow-scale LNA (ssLNA) which is a reduced version of the LNA under conditions of timescale separation. In this paper, we present the first rigorous derivation of the ssLNA using the projection operator technique and show that the ssLNA follows uniquely from the standard LNA under the same conditions of timescale separation as those required for the deterministic quasi-steady state approximation. We also show that the large molecule number limit of several common stochastic model reduction techniques under timescale separation conditions constitutes a special case of the ssLNA.
description: 10 pages, 1 figure, submitted to Physical Review E; see also BMC Systems Biology 6, 39 (2012)
Decadal–centennial-scale solar-linked climate variations and millennial-scale internal oscillations during the Early Cretaceous
Creators: name: Hasegawa, Hitoshi
name: Katsuta, Nagayoshi
name: Muraki, Yasushi
name: Heimhofer, Ulrich
name: Ichinnorov, Niiden
name: Asahi, Hirofumi
name: Ando, Hisao
name: Yamamoto, Koshi
name: Murayama, Masafumi
name: Ohta, Tohru
name: Yamamoto, Masanobu
name: Ikeda, Masayuki
name: Ishikawa, Kohki
name: Kuma, Ryusei
name: Hasegawa, Takashi
name: Hasebe, Noriko
name: Nishimoto, Shoji
name: Yamaguchi, Koichi
name: Abe, Fumio
name: Tada, Ryuji
name: Nakagawa, Takeshi
Publisher: name: [London] : Macmillan Publishers Limited, part of Springer Nature
Year: 2022
Subjects: subject: Asia
subject: Geologic Sediments
subject: Plants
subject: Time
subject: Water
subject: Dewey Decimal Classification::500 | Naturwissenschaften
subject: Dewey Decimal Classification::600 | Technik

description: Understanding climate variability and stability under extremely warm ‘greenhouse’ conditions in the past is essential for future climate predictions. However, information on millennial-scale (and shorter) climate variability during such periods is scarce, owing to a lack of suitable high-resolution, deep-time archives. Here we present a continuous record of decadal- to orbital-scale continental climate variability from annually laminated lacustrine deposits formed during the late Early Cretaceous (123–120 Ma: late Barremian–early Aptian) in southeastern Mongolia. Inter-annual changes in lake algal productivity for a 1091-year interval reveal a pronounced solar influence on decadal- to centennial-scale climatic variations (including the ~ 11-year Schwabe cycle). Decadally-resolved Ca/Ti ratios (proxy for evaporation/precipitation changes) for a ~ 355-kyr long interval further indicate millennial-scale (~ 1000–2000-yr) extreme drought events in inner-continental areas of mid-latitude palaeo-Asia during the Cretaceous. Millennial-scale oscillations in Ca/Ti ratio show distinct amplitude modulation (AM) induced by the precession, obliquity and short eccentricity cycles. Similar millennial-scale AM by Milankovitch cycle band was also previously observed in the abrupt climatic oscillations (known as Dansgaard–Oeschger events) in the ‘intermediate glacial’ state of the late Pleistocene, and in their potential analogues in the Jurassic ‘greenhouse’. Our findings indicate that external solar activity forcing was effective on decadal–centennial timescales, whilst the millennial-scale variations were likely amplified by internal process such as changes in deep-water formation strength, even during the Cretaceous ‘greenhouse’ period.
Heading-error-free optical atomic magnetometry in the Earth-field range
Creators: name: Zhang, Rui
name: Kanta, Dimitra
name: Wickenbrock, Arne
name: Guo, Hong
name: Budker, Dmitry
Publisher: name: arXiv
Year: 2022
Subjects: subject: Atomic Physics (physics.atom-ph)
subject: FOS: Physical sciences

description: Alkali-metal atomic magnetometry is widely used due to its high sensitivity and cryogen-free operation. However, when operating in geomagnetic field, it suffers from heading errors originating from nonlinear Zeeman (NLZ) splittings and magnetic resonance asymmetries, which lead to difficulties in mobile-platform measurements. We demonstrate an alignment based $^{87}$Rb magnetometer, which, with only a single magnetic resonance peak and well-separated hyperfine transition frequencies, is insensitive or even immune to NLZ-related heading errors. It is shown that the magnetometer can be implemented for practical measurements in the geomagnetic environments and the photon-shot-noise-limited sensitivity reaches $9\,{\rm{fT}}/\sqrt{\rm{Hz}}$ at room temperature.
description: 8 pages, 5 figures
Embedded equation-of-motion coupled-cluster theory for electronic excitation, ionisation, electron attachment, and electronic resonances
Creators: name: Parravicini, Valentina
name: Jagau, Thomas-C.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Physiology
subject: FOS: Biological sciences
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Immunology
subject: FOS: Clinical medicine

description: The projection-based quantum embedding method is applied to a comprehensive set of electronic states. We embed different variants of equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) theory in density functional theory and investigate electronically excited states of valence, Rydberg, and charge-transfer character, valence- and core-ionised states, as well as bound and temporary radical anions. The latter states, which are unstable towards electron loss, are treated by means of a complex-absorbing potential. Besides transition energies, we present Dyson orbitals and natural transition orbitals for embedded EOM-CCSD. We benchmark the performance of the embedded EOM-CCSD methods against full EOM-CCSD using small organic molecules microsolvated by a varying number of water molecules as test cases. Our results illustrate that embedded EOM-CCSD describes ionisation and valence excitation very well and that these transitions are quite insensitive towards technical details of the embedding procedure. On the contrary, more care is required when dealing with Rydberg excitations or electron attachment. For the latter type of transition in particular, the use of long-range corrected density functionals is mandatory and truncation of the virtual orbital space proves to be difficult.
Beim Buchhändler resp. durch Postbestellung erworbene periodische Zeitschriften 1906/07
Creators: name: Redaktion, Die
Publisher: name: Jahresschrift für mitteldeutsche Vorgeschichte
Year: 2019

description: -
description: Jahresschrift für mitteldeutsche Vorgeschichte, Bd. 6 (1907): Jahresschrift für die Vorgeschichte der sächsisch-thüringischen Länder
Laser-Induced µ-Rooms for Osteocytes on Implant Surface: An In Vivo Study
Creators: name: Veiko, Vadim
name: Karlagina, Yuliya
name: Zernitckaia, Ekaterina
name: Egorova, Elena
name: Radaev, Maxim
name: Yaremenko, Andrey
name: Chernenko, Gennadiy
name: Romanov, Valery
name: Shchedrina, Nadezhda
name: Ivanova, Elena
name: Chichkov, Boris
name: Odintsova, Galina
Publisher: name: Basel : MDPI
Year: 2022
Subjects: subject: biocompatibility
subject: in vivo
subject: laser texturing
subject: osseointegration
subject: rabbit tibia
subject: titanium implants
subject: topography
subject: Dewey Decimal Classification::500 | Naturwissenschaften::570 | Biowissenschaften, Biologie
subject: Dewey Decimal Classification::500 | Naturwissenschaften::540 | Chemie

description: Laser processing of dental implant surfaces is becoming a more widespread replacement for classical techniques due to its undeniable advantages, including control of oxide formation and structure and surface relief at the microscale. Thus, using a laser, we created several biomimetic topographies of various shapes on the surface of titanium screw-shaped implants to research their success and survival rates. A distinctive feature of the topographies is the presence of “µ-rooms”, which are special spaces created by the depressions and elevations and are analogous to the µ-sized room in which the osteocyte will potentially live. We conducted the comparable in vivo study using dental implants with continuous (G-topography with µ-canals), discrete (S-topography with μ-cavities), and irregular (I-topography) laser-induced topographies. A histological analysis performed with the statistical method (with p-value less than 0.05) was conducted, which showed that G-topography had the highest BIC parameter and contained the highest number of mature osteocytes, indicating the best secondary stability and osseointegration.
An XMM-Newton Survey of the Soft X-ray Background. II. An All-Sky Catalog of Diffuse O VII and O VIII Emission Intensities
Creators: name: Henley, David B.
name: Shelton, Robin L.
Publisher: name: arXiv
Year: 2012
Subjects: subject: Astrophysics of Galaxies (astro-ph.GA)
subject: FOS: Physical sciences

description: We present an all-sky catalog of diffuse O VII and O VIII line intensities, extracted from archival XMM observations. The O VII and O VIII intensities are typically ~2-11 and 10 LU were observed. We compared our measurements with SWCX models. The heliospheric SWCX intensity is expected to vary with ecliptic latitude and solar cycle. We found that the observed oxygen intensities generally decrease from solar maximum to solar minimum, both at high ecliptic latitudes (as expected) and at low ecliptic latitudes (not as expected). The geocoronal SWCX intensity is expected to depend on the solar wind proton flux and on the sightline's path through the magnetosheath. The intensity variations seen in directions that have been observed multiple times are in poor agreement with the predictions of a geocoronal SWCX model. The oxygen lines account for ~40-50% of the 3/4 keV X-ray background that is not due to unresolved AGN, in good agreement with a previous measurement. However, this fraction is not easily explained by a combination of SWCX emission and emission from hot plasma in the halo. The line intensities tend to increase with longitude toward the inner Galaxy, possibly due to an increase in the supernova rate in that direction or the presence of a halo of accreted material centered on the Galactic Center. The variation of intensity with Galactic latitude differs in different octants of the sky, and cannot be explained by a single simple plane-parallel or constant-intensity halo model. (Abridged)
description: Accepted for publication in the Astrophysical Journal Supplement Series. 29 pages (main body of paper) plus 85 pages (full versions of Tables 1, 2, and 4 - these tables will be published as machine-readable tables in the journal, and appear in abbreviated form in the main body of the paper). 12 figures. v2: Minor corrections, conclusions unaltered
Quantum interference measurement of the free fall of anti-hydrogen
Creators: name: Rousselle, Olivier
name: Cladé, Pierre
name: Guellati-Khélifa, Saïda
name: Guérout, Romain
name: Reynaud, Serge
Publisher: name: arXiv
Year: 2022
Subjects: subject: Quantum Physics (quant-ph)
subject: Atomic Physics (physics.atom-ph)
subject: FOS: Physical sciences

description: We analyze a quantum measurement designed to improve the accuracy for the free-fall acceleration of anti-hydrogen in the GBAR experiment. Including the effect of photo-detachment recoil in the analysis and developing a full quantum analysis of anti-matter wave propagation, we show that the accuracy is improved by approximately three orders of magnitude with respect to the classical timing technique planned for the current experiment.
Vorläufiger Bericht über die Grabung in der Friedlandburg, Kr. Göttingen
Creators: name: Roth, Helmut
Publisher: name: Nachrichten aus Niedersachsens Urgeschichte
Year: 2019

description: Nachrichten aus Niedersachsens Urgeschichte, Bd. 40 (1971): Nachrichten aus Niedersachsens Urgeschichte