cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Energy and Climate Security Priorities and Challenges in the Changing Global Energy Order
Creators: name: Colantoni, Lorenzo
name: Sever, S. Duygu
name: Yilmaz, Suhnaz
Publisher: name: Zenodo
Year: 2017
Subjects: European Union; Turkey; EU-Turkey Relations; Energy Security; Climate Security; Global Energy Order; Energy Transition; Paris Agreement; Coal; Renewables; Conflict; G20

description: FEUTURE Online Paper No. 6

Global energy markets are facing an era of extensive change through a radical process of transformation known as the “energy transition”, which ranges from the unprecedented growth of renewables and the success of the Paris Agreement to the still unpredictable future of gas and oil prices. Europe and Turkey are heavily influenced by these phenomena, and so are their relations. A more climate-friendly position by Turkey would increase chances for cooperation with the EU - still the de facto global climate leader. A greater role for gas would boost the EU and Turkey’s need for diversification, and thus possibly for cooperation. Turkey’s significant focus on coal could, however, move the country instead closer to the anti-climate stance opened up by President Donald Trump’s exit from the Paris Agreement, thus leading to a conflict scenario with the EU. The energy transition could provide a robust framework for the EU’s and Turkey’s future energy and climate relations, and one that might possibly be open to a new role for platforms such as the G20. However, its final impact will be a result of the evolution of its individual components, and the choices that the EU and Turkey will make in regard to these.
description: This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 692976. This publication reflects the views only of the authors, and the Commission cannot be held responsible for any use which may be made of the information contained therein.
The bouncing dynamics of inertial self-propelled particles reveals directional asymmetry
Creators: name: Horvath, Denis
name: Slabý, Cyril
name: Tomori, Zoltán
name: Hovan, Andrej
name: Miskovsky, Pavol
name: Bánó, Gregor
Publisher: name: arXiv
Year: 2022
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: This study aims to examine experimental conditions in which active particles are forced by their surroundings to move forward and backward in a continuous oscillatory manner. The experimental design is based on using a vibrating self-propelled toy-robot called hexbug, which is placed inside a narrow channel closed on one end by a rigid moving wall. Using the end-wall velocity as a controlling factor, the main forward mode of the hexbug movement can be turned to mostly rearward mode. We investigate the bouncing hexbug motion on both experimental and theoretical grounds. The Brownian model of active particles with inertia is employed in the theoretical framework. The model itself uses a pulsed Langevin equation in order to simulate abrupt changes in velocity that mimic hexbug propulsion in the moments when its legs make contact with the base plate. Significant directional asymmetry is caused by the legs bending backward. We demonstrate that the simulation successfully reproduces the experimental characteristics of hexbug motion after regressing the spatial and temporal statistical characteristics, especially when directional asymmetry is under consideration.
Large scale regularity of almost minimizers of the one-phase problem in periodic media
Creators: name: Feldman, William M
Publisher: name: arXiv
Year: 2022
Subjects: subject: Analysis of PDEs (math.AP)
subject: FOS: Mathematics
subject: 35B27, 35R35

description: We prove that minimizers and almost minimizers of one-phase free boundary energy functionals in periodic media satisfy large scale (1) Lipschitz estimates (2) free boundary flat implies Lipschitz estimates. The proofs are based on techniques introduced by De Silva and Savin for almost minimizers in homogeneous media.
description: This is the published article in Ars Inveniendi Analytica
A note on tree factorization and no particle production
Creators: name: Bering, Klaus
Publisher: name: arXiv
Year: 2022
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: We prove factorization of the generating functional of connected tree diagrams by exploring that it is the Legendre transform of the action. This theorem is then applied to the example of a massive real scalar field theory in 2D. In the process we streamline the proof that the assumption of no particle production leads to either the sin(h)-Gordon or the Bullough-Dodd model.
description: 18 pages, PDF only
A variationally computed line list for hot NH3
Creators: name: Yurchenko, S. N.
name: Barber, R. J.
name: Tennyson, J.
Publisher: name: arXiv
Year: 2010
Subjects: subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: Chemical Physics (physics.chem-ph)
subject: FOS: Physical sciences

description: We present 'BYTe', a comprehensive 'hot' line list for the ro-vibrational transitions of ammonia, 14NH3, in its ground electronic state. This line list has been computed variationally using the program suite TROVE, a new spectroscopically-determined potential energy surface and an ab initio dipole moment surface. BYTe, is designed to be used at all temperatures up to 1500K. It comprises 1137650964 transitions in the frequency range from 0 to 12000 cm-1, constructed from 1366519 energy levels below 18000 cm-1 having J values below 36. Comparisons with laboratory data confirm the accuracy of the line list which is suitable for modelling a variety of astrophysical problems including the atmospheres of extrasolar planets and brown dwarfs.
description: the paper has been submitted to MNRAS
Structural insight into TNF-α inhibitors through combining pharmacophore-based virtual screening and molecular dynamic simulation
Creators: name: Qaiser, Hina
name: Saeed, Maria
name: Nerukh, Dmitry
name: Ul-Haq, Zaheer
Publisher: name: Taylor & Francis
Year: 2020
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Ecology
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Tumor Necrosis Factor-alpha (TNF-α), a multifunctional cytokine responsible for providing resistance against infections, inflammation, and cancers. TNF-α has emerged as a promising drug target against several autoimmune and inflammatory disorders. Several synthetic antibodies (Infliximab, Etanercept, and Adalimumab) are available, but their potential to cause severe side effects has prompted them to develop alternative small molecules-based therapies for inhibition of TNF-α. In the present study, combined in silico approaches based on pharmacophore modeling, virtual screening, molecular docking, and molecular dynamics studies were employed to understand significant direct interactions between TNF-α protein and small molecule inhibitors. Initially, four different small molecule libraries (∼17.5 million molecules) were virtually screened against the selected pharmacophore model. The identified hits were further subjected to molecular docking studies. The three potent lead compounds (ZINC05848961, ZINC09402309, ZINC04502991) were further subjected to 100 ns molecular dynamic studies to examine their stability. Our docking and molecular dynamic analysis revealed that the selected lead compounds target the TNF receptor (TNFR) and efficiently block the production of TNF. Moreover, in silico ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) analysis revealed that all the predicted compounds have good pharmacokinetic properties with high gastrointestinal absorption and a decent bioavailability score. Furthermore, toxicity profiles further evidenced that these compounds have no risk of being mutagenic, tumorigenic, reproductive and irritant except ZINC11915498. In conclusion, the present study could serve as the starting point to develop new therapeutic regimens to treat various TNF- related diseases. Communicated by Ramaswamy H. Sarma
Iterative Methods for Computing Eigenvalues and Eigenvectors
Creators: name: Panju, Maysum
Publisher: name: arXiv
Year: 2011
Subjects: subject: Numerical Analysis (math.NA)
subject: FOS: Mathematics

description: We examine some numerical iterative methods for computing the eigenvalues and eigenvectors of real matrices. The five methods examined here range from the simple power iteration method to the more complicated QR iteration method. The derivations, procedure, and advantages of each method are briefly discussed.
description: 9 pages
Black Hole Vacua and Rotation
Creators: name: Krishnan, Chethan
Publisher: name: arXiv
Year: 2010
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: Recent developments suggest that the near-region of rotating black holes behaves like a CFT. To understand this better, I propose to study quantum fields in this region. An instructive approach for this might be to put a large black hole in AdS and to think of the entire geometry as a toy model for the ``near-region". Quantum field theory on rotating black holes in AdS can be well-defined (unlike in flat space), if fields are quantized in the co-rotating-with-the-horizon frame. First, some generalities of constructing Hartle-Hawking Green functions in this approach are discussed. Then as a specific example where the details are easy to handle, I turn to 2+1 dimensions (BTZ), write down the Green functions explicitly starting with the co-rotating frame, and observe some structural similarities they have with the Kerr-CFT scattering amplitudes. Finally, in BTZ, there is also an alternate construction for the Green functions: we can start from the covering AdS_3 space and use the method of images. Using a 19th century integral formula, I show the equality between the boundary correlators arising via the two constructions.
description: 25 pages, 3 figures
Approaching transform-limited photons from nanowire quantum dots excited above-band
Creators: name: Laferrière, Patrick
name: Yin, Aria
name: Yeung, Edith
name: Kusmic, Leila
name: Korkusinski, Marek
name: Rasekh, Payman
name: Northeast, David B.
name: Haffouz, Sofiane
name: Lapointe, Jean
name: Poole, Philip J.
name: Williams, Robin L.
name: Dalacu, Dan
Publisher: name: arXiv
Year: 2022
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: We demonstrate that, even when employing above-band excitation, photons emitted from semiconductor quantum dots can have linewidths that approach their transform-limited values. This is accomplished by using quantum dots embedded in bottom-up photonic nanowires, an approach which mitigates several potential mechanisms that can result in linewidth broadening: (i) only a single quantum dot is present in each device, (ii) dot nucleation proceeds without the formation of a wetting layer, and (iii) the sidewalls of the photonic nanowire are comprised not of etched facets, but of epitaxially grown crystal planes. Using these structures we achieve linewidths of 2x the transform limit, unprecedented for above-band excitation. We also demonstrate a highly nonlinear dependence of the linewidth on both excitation power and temperature which can be described by an independent Boson model that considers both deformation and piezoelectric exciton-phonon coupling. We find that for sufficiently low excitation powers and temperatures, the observed excess broadening is not dominated by phonon dephasing, a surprising result considering the high phonon occupation that occurs with above-band excitation.
RNA-targeted Cu(II)-based potential antitumor drug entity: comprehensive structural, biological {DNA/RNA binding, cleavage, cytotoxicity} and computational studies
Creators: name: Parveen, Sabiha
name: Fatima, Kaneez
name: Zehra, Siffeen
name: Arjmand, Farukh
Publisher: name: Taylor & Francis
Year: 2020
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Biotechnology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: Cancer

description: Copper-based bis(hydroxy naphthaldehyde) complex with axial mono aqua-coordination was synthesized and thoroughly characterized by various spectroscopic{IR, UV-vis, EPR}, ESI-Mass and single X-ray crystallographic studies. The single X-ray crystallography of the complex revealed the square pyramidal coordination geometry with P21 space group with axial water molecule ligated to copper centre. The geometry of the complex was further validated by DFT calculations, which was in accordance with other spectroscopic studies. The binding profile of the complex with ct-DNA and tRNA was carried out by employing various biophysical (absorption, fluorescence, circular dichroism, morphological studies) and computational studies (DFT, molecular docking). The experimental results revealed efficient binding of the complex with both ct-DNA and tRNA primarily, via non-covalent interactions. The binding studies Kb and K values revealed 10-fold greater binding affinity of the complex for tRNA as compared to ct-DNA. The in silico molecular docking further validated the interaction of complex within the hydrophobic pocket of ct-DNA and tRNA. The concentration and time dependent cleavage studies of DNA and tRNA were performed by employing gel electrophoresis assay. The cytotoxic activity of the complex was performed on a panel of human cell lines viz., leukemia (K-562), pancreatic (MIA-PA-CA-2), hepatoma (Hep-G2), cervical (HeLa), and breast (MDA-MB-231) by SRB assay. The complex exhibited selectively remarkably good cytotoxic potential on leukemia (K-562), cervical (HeLa) and hepatoma (Hep-G2) cancer cell lines. Communicated by Ramaswamy H. Sarma
title: Bilder des Alterns im Wandel: historische, interkulturelle, theoretische und aktuelle Perspektiven
Creators: name: :None
Publisher: name: Wissenschaftliche Verlagsgesellschaft mbH Stuttgart
Year: 2009
Subjects: subject: Altenbild
subject: Alterssoziologie
subject: 300

description: Der Band enthält Beiträge aus historischer wie aus interkulturell vergleichender Perspektive und erörtert die theoretischen Grundlagen von Altersbildern, Altersstereotypen und Altersdiskursen in Geschichte und Gegenwart sowie verschiedenen Ländern und Kulturen. Darüber hinaus werden die aktuellen Entwicklungen in Medien und Unternehmen, vor allem in Deutschland, berücksichtigt. Soziale Entwicklungen und sowohl langfristige als auch aktuelle Prozesse des Wandels und der Veränderbarkeit von Altersbildern werden im Zusammenhang betrachtet.
description: Nova Acta Leopoldina: NAL ; Abhandlungen der Deutschen Akademie der Naturforscher Leopoldina, vol. 99, Nummer 363
Swift UVOT Grism Spectroscopy of Comets: A First Application to C/2007 N3 (Lulin)
Creators: name: Bodewits, D.
name: Villanueva, G. L.
name: Mumma, M. J.
name: Landsman, W. B.
name: Carter, J. A.
name: Read, A. M.
Publisher: name: arXiv
Year: 2010
Subjects: subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: FOS: Physical sciences

description: We observed comet C/2007 N3 (Lulin) twice on UT 28 January 2009, using the UV grism of the Ultraviolet and Optical Telescope (UVOT) on board the Swift Gamma Ray Burst space observatory. Grism spectroscopy provides spatially resolved spectroscopy over large apertures for faint objects. We developed a novel methodology to analyze grism observations of comets, and applied a Haser comet model to extract production rates of OH, CS, NH, CN, C3, C2, and dust. The water production rates retrieved from two visits on this date were $6.7 \pm 0.7$ and 7.9 $\pm$ 0.7 x 1E28 molecules s-1, respectively. Jets were sought (but not found) in the white-light and `OH' images reported here, suggesting that the jets reported by Knight and Schleicher (2009) are unique to CN. Based on the abundances of its carbon-bearing species, comet Lulin is `typical' (i.e., not `depleted') in its composition.
Casimir-Foucault interaction: Free energy and entropy at low temperature
Creators: name: Intravaia, F.
name: Ellingsen, Simen Å.
name: Henkel, C.
Publisher: name: arXiv
Year: 2010
Subjects: subject: Quantum Physics (quant-ph)
subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Physical sciences

description: It was recently found that thermodynamic anomalies which arise in the Casimir effect between metals described by the Drude model can be attributed to the interaction of fluctuating Foucault (or eddy) currents [Phys. Rev. Lett. 103, 130405 (2009)]. We show explicitly that the two leading terms of the low-temperature correction to the Casimir free energy of interaction between two plates, are identical to those pertaining to the Foucault current interaction alone, up to a correction which is very small for good metals. Moreover, a mode density along real frequencies is introduced, showing that the Casimir free energy, as given by the Lifshitz theory, separates in a natural manner in contributions from eddy currents and propagating cavity modes, respectively. The latter have long been known to be of little importance to the low-temperature Casimir anomalies. This convincingly demonstrates that eddy current modes are responsible for the large temperature correction to the Casimir effect between Drude metals, predicted by the Lifshitz theory, but not observed in experiments.
description: 10 pages, 1 figure
title: Altern und Gesundheit
Creators: name: Leopoldina, Deutsche
name: Deutsche Akademie Der Technikwissenschaften
name: Jacobs Foundation
Publisher: name: Wissenschaftliche Verlagsgesellschaft mbH Stuttgart
Year: 2009
Subjects: subject: Altern
subject: Bevölkerungsentwicklung
subject: Gesellschaft
subject: Gesundheit
subject: 000
subject: 610

description: Der Band diskutiert die vielfältigen, mit zunehmendem Alter einhergehenden gesundheitlichen Probleme und ihre Rückwirkungen auf das Individuum, die Gesellschaft, den Arbeitsmarkt und die Versorgungssysteme. Dabei nehmen die lebenslange Prävention (Ernährung, körperliche Aktivität, Vermeidung bzw. Behandlung von Risikofaktoren), aber auch die rehabilitative Versorgung alter Menschen sowie die betriebliche Gesundheitsförderung eine zentrale Stellung ein. Der Zugang zu allen medizinischen Möglichkeiten muss gewährleistet bleiben, da dieser die Lebensqualität der alternden Menschen verbessert und ihre Lebensführung erleichtert – hierfür werden zunehmend technologische Innovationen verantwortlich sein. Im Vordergrund aller medizinischen Maßnahmen steht immer die Erhaltung der Autonomie des alten Menschen.
description: Nova Acta Leopoldina: NAL ; Abhandlungen der Deutschen Akademie der Naturforscher Leopoldina, vol. 105, Nummer 369
Shape Morphing of Planar Liquid Crystal Elastomers
Creators: name: Castro, Daniel
name: Aharoni, Hillel
Publisher: name: arXiv
Year: 2022
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: We consider planar liquid crystal elastomers: two dimensional objects made of anisotropic responsive materials, that upon activation remain flat however change their planar shape. We derive a closed form, analytical solution based on the implicit linearity featured by this subclass of deformations. Our solution provides the nematic director field on an arbitrary domain starting with two initial director curves. We discuss the different gauges choices for this problem, and the inclusion of disclinations in the nematic order. Finally, we propose several applications and useful design principles based on this theoretical framework.
description: 6 pages, 4 figures
Theory of digital magnetoresistance in ferromagnetic resonant-tunneling diodes
Creators: name: Ertler, Christian
name: Fabian, Jaroslav
Publisher: name: Universität Regensburg
Year: 2007
Subjects: subject: 530 Physik

description: We propose a ferromagnetic spintronic system, which consists of two serial connected resonant-tunneling diodes. One diode is nonmagnetic whereas the other comprises a ferromagnetic emitter and quantum well. Using a self-consistent coherent transport model we show that the current-voltage characteristic of the ferromagnetic diode can be strongly modulated by changing the relative orientation of the magnetizations in the emitter and quantum well, respectively. By a continuous change of the relative magnetization angle the total resistance exhibits a discrete jump realizing digital magnetoresistance. The interplay between the emitter's Fermi energy level and the relative magnetization orientations allows to tailor the current voltage characteristics of the ferromagnetic diode from ohmic to negative differential resistance regime at low voltages.
Asymptotic density of states in 2d CFTs with non-invertible symmetries
Creators: name: Lin, Ying-Hsuan
name: Okada, Masaki
name: Seifnashri, Sahand
name: Tachikawa, Yuji
Publisher: name: arXiv
Year: 2022
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: It is known that the asymptotic density of states of a 2d CFT in an irreducible representation $ρ$ of a finite symmetry group $G$ is proportional to $(\dimρ)^2$. We show how this statement can be generalized when the symmetry can be non-invertible and is described by a fusion category $\mathcal{C}$. Along the way, we explain what plays the role of a representation of a group in the case of a fusion category symmetry; the answer to this question is already available in the broader mathematical physics literature but not yet widely known in hep-th. This understanding immediately implies a selection rule on the correlation functions, and also allows us to derive the asymptotic density.
description: 42 pages; v2: minor revision; v3: published version
Insights into amyotrophic lateral sclerosis linked Pro525Arg mutation in the fused in sarcoma protein through in silico analysis and molecular dynamics simulation
Creators: name: Chatterjee, Sompriya
name: Salimi, Abbas
name: Lee, Jin Yong
Publisher: name: Taylor & Francis
Year: 2020
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: A novel heterozygous mutation, Pro525Arg (P525R) in the Fused in Sarcoma (FUS) protein is predominant in young adult females with familial amyotrophic lateral sclerosis (fALS). Investigation of the biophysical characteristics of this mutation through analysis of protein conformation could provide insights into the pathogenic mechanism of amyotrophic lateral sclerosis (ALS). Here, several computational prediction tools were applied to investigate the effect of P525R on the stability, flexibility, and function of FUS. Conservation and biochemical analyses showed that P525 is highly conserved; the mutation of proline to arginine at position 525 in FUS results in a notable increase in molecular weight, number of hydrogen bonds, and loss of hydrophobicity. By performing electrostatic potential, intra-protein interaction, and binding affinity analyses, we found increased electrostatic potential charge in the mutant protein and fewer hydrophobic interactions than the wild-type structure. Binding affinity of the FUS nuclear localization signal (NLS) mutant for transportin (Trn1) was also decreased compared to wild-type. Our molecular dynamics (MD) simulation results highlighted the exchange between hydrophobic and hydrophilic residues from the core to the surface in the mutant structure; also, upon P525R mutation, FUS became less stable, less flexible and more compact and rigid. Overall, this study demonstrated that the Pro525Arg mutation significantly alters the structure and conformation of FUS through loss of nuclear function, thereby likely contributing to its accumulation in the cytoplasm, which has been implicated in the pathogenesis of fALS. Our study can potentially aid in the design of drugs for FUS-associated neurodegenerative diseases. Communicated by Ramaswamy H. Sarma
Sun salutations in school : a pilot study of yoga with school-aged children
Creators: name: McKusick, Morgan
Publisher: name: University of British Columbia
Year: 2018

description: Research has found evidence of yoga’s positive effect on levels of mindfulness, emotion regulation and well-being in adults. Several studies have shown similar benefits for children participating in mindfulness-based interventions in school settings. However, the body of literature focusing on yoga for children is still in nascent stages. There is a paucity of literature examining the outcomes and implementation of yoga on typically developing children, particularly in the context of school yoga programs. This pilot study presents preliminary findings related to outcomes and implementation of a yoga program with elementary-school-aged children. Participants (N = 80) were 5th to 7th grade students who participated in 45 minutes of yoga per week for 10-weeks. It was hypothesized that following the yoga program, participants’ self-reports of mindfulness skills, emotion regulation, subjective well-being, optimism and experience of classroom supportiveness would improve. To assess the feasibility of implementing a yoga program in the school setting, participants’ attendance as well as teacher and student perceptions of the program were also measured. Although no firm conclusions can be made without the use of a control group, preliminary findings suggest that both students and teachers found the program useful and fairly attractive, and improvements to mindfulness and emotion regulation skills followed the program. No changes were found for subjective well-being, optimism and classroom supportiveness. The results of this research may assist in informing educators and scholars as they strive to develop, implement and evaluate yoga programs suitable for children.
CFD modeling of wet agglomerate growth in gas-fluidized beds
Creators: name: Maturi, Anish
Publisher: name: University of British Columbia
Year: 2018

description: Oil and gas companies which often face excessive agglomeration when operating Fluidized Bed Reactors (FBRs). In Syncrude Canada’s fluid cokers, agglomeration is highly undesirable because it reduces the product yield and causes significant problems including partial defluidization. In Syncrude Canada’s process, the non-volatiles in bitumen are deposited on the particles and contribute towards agglomeration. There is significant practical knowledge and methods regarding agglomeration. A mathematical model of the agglomeration could contribute significantly to a better understanding and limit the agglomeration problem. This thesis presents a mathematical model of fluidized beds with liquid injection, with emphasis on the agglomeration process. Agglomeration takes place via particle coalescence in the presence of a liquid in industrial FBRs. Industrial FBRs are maintained well above the liquid boiling point, and there is significant vaporization. Therefore, the model should account for vaporization. Hence, this work presents a vaporization model followed by an agglomeration model. The model is based on the Kinetic theory of Granular Flows (KTGF) and uses the Population Balance Method (PBM) to solve momentum, heat, and mass transport equations. The simulations were performed using ANSYS Fluent, supplemented by User Defined Functions coded in C Language. Vaporization was modeled, and the influence of temperature and droplet size investigated. The results confirm that boiling is more important than evaporation. Parametric studies on the droplet diameter concluded that, in the absence of agglomeration, vaporization does not vary much with changes in the droplet diameter. They also predicted that agglomeration has a significant impact on the extent of vaporization. The rate of agglomeration calculated by this model was very high, high enough to cause defluidization of the bed. The over-estimation of agglomeration is due to the neglect of agglomerate breakage that is accounted for in this thesis by imposing an artificial limit on the agglomerate diameter. The limit was chosen because less than 1% (wt%) was above 4000 microns.
A QUBO model of the RNA folding problem optimized by variational hybrid quantum annealing
Creators: name: Zaborniak, Tristan
name: Giraldo, Juan
name: Müller, Hausi
name: Jabbari, Hosna
name: Stege, Ulrike
Publisher: name: arXiv
Year: 2022
Subjects: subject: Quantum Physics (quant-ph)
subject: Biomolecules (q-bio.BM)
subject: FOS: Physical sciences
subject: FOS: Biological sciences

description: RNAs self-interact through hydrogen-bond base-pairing between nucleotides and fold into specific, stable structures that substantially govern their biochemical behaviour. Experimental characterization of these structures remains difficult, hence the desire to predict them computationally from sequence information. However, correctly predicting even the base pairs involved in the folded structure of an RNA, known as secondary structure, from its sequence using minimum free energy models is understood to be NP-hard. Classical approaches rely on heuristics or avoid considering pseudoknots in order to render this problem more tractable, with the cost of inexactness or excluding an entire class of important RNA structures. Given their prospective and demonstrable advantages in certain domains, including combinatorial optimization, quantum computing approaches by contrast have the potential to compute the full RNA folding problem while remaining more feasible and exact. Herein, we present a physically-motivated QUBO model of the RNA folding problem amenable to both quantum annealers and circuit-model quantum computers and compare the performance of this formulation versus current RNA folding QUBOs after tuning the parameters of all against known RNA structures using an approach we call "variational hybrid quantum annealing".
description: 12 pages, 5 figures, accepted for oral presentation at IEEE 2022 International Conference on Quantum Computing and Engineering
Squeezed coherent states for a free particle with time-varying mass
Creators: name: Pereira, A. S.
name: Lemos, A. S.
name: Brito, F. A.
Publisher: name: arXiv
Year: 2022
Subjects: subject: Quantum Physics (quant-ph)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: We obtain the squeezed coherent states (SCS) for a free particle with exponentially time-varying mass. We write these states in terms of the squeeze and displacement parameters on the time-independent Fock states. Thus, we find a condition on the displacement parameter such that the SCS can be considered semiclassical states. We show that it is possible to obtain the coherent states (CS) for a free particle with minimal uncertainty as long as the mass increases with the time. We analyze the transition probability of a system initially prepared in the time-independent Fock states to the free particle SCS.
description: 25 pages, 4 figures
The multicomponent diffuse-interface model and its application to water/air interfaces
Creators: name: Benilov, E. S.
Publisher: name: arXiv
Year: 2022
Subjects: subject: Fluid Dynamics (physics.flu-dyn)
subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: Fundamental properties of the multicomponent diffuse-interface model (DIM), such as the maximum entropy principle and conservation laws, are used to explore the basic interfacial dynamics and phase transitions in fluids. Flat interfaces with monotonically-changing densities of the components are proved to be stable. A liquid layer in contact with oversaturated but stable vapour is shown to either fully evaporate or eternally expand (depending on the initial perturbation), whereas a liquid in contact with saturated vapour always evaporates. If vapour is bounded by a solid wall with a sufficiently large contact angle, spontaneous condensation occurs in the vapour. The external parameters of the multicomponent DIM -- e.g., the Korteweg matrix describing the long-range intermolecular forces -- are determined for the water-air combination. The Soret and Dufour effects are shown to be negligible in this case, and the interfacial flow, close to isothermal.
Single-cycle THz pulses with amplitudes exceeding 1 MV/cm generated by optical rectification in LiNbO3
Creators: name: Hirori, H.
name: Doi, A.
name: Blanchard, F.
name: Tanaka, K.
Publisher: name: arXiv
Year: 2011
Subjects: subject: Optics (physics.optics)
subject: FOS: Physical sciences

description: Using the tilted-pulse-intensity-front scheme, we generate single-cycle terahertz (THz) pulses by optical rectification of femtosecond laser pulses in LiNbO3. In the THz generation setup, the condition that the image of the grating coincides with the tilted-optical-pulse front is fulfilled to obtain optimal THz beam characteristics and pump-to-THz conversion efficiency. The designed focusing geometry enables tight focus of the collimated THz beam with a spot size close to the diffraction limit, and the maximum THz electric field of 1.2 MV/cm is obtained.
Ab-initio study of the bandgap engineering of Al(1-x)Ga(x)N for optoelectronic applications
Creators: name: Amin, B.
name: Ahmad, Iftikhar
name: Maqbool, M.
name: Goumri-Said, S.
name: Ahmad, R.
Publisher: name: arXiv
Year: 2010
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: A theoretical study of Al(1-x)Ga(x)N, based on full-potential linearized augmented plane wave method, is used to investigate the variations in the bandgap, optical properties and non-linear behavior of the compound with the variation of Ga concentration. It is found that the bandgap decreases with the increase of Ga in Al(1-x)Ga(x)N. A maximum value of 5.5 eV is determined for the bandgap of pure AlN which reaches to minimum value of 3.0 eV when Al is completely replaced by Ga. The static index of refraction and dielectric constant decreases with the increase in bandgap of the material, assigning a high index of refraction to pure GaN when compared to pure AlN. The refractive index drops below 1 for photon energies larger than 14 eV results group velocity of the incident radiation higher than the vacuum velocity of light. This astonishing result shows that at higher energies the optical properties of the material shifts from linear to non-linear. Furthermore, frequency dependent reflectivity and absorption coefficients show that peak value of the absorption coefficient and reflectivity shifts towards lower energy in the UV spectrum with the increase in Ga concentration. This comprehensive theoretical study of the optoelectronic properties of the alloys is presented for the first time which predicts that the material can be effectively used in the optical devices working in the visible and UV spectrum.
description: 18 pages, 7 figures
Knowledge Cohesion in European Regions: Convergence and Cohesion with Turkey
Creators: name: Akçomak, Í. Semih
name: Erdil, Erkan
name: Çetinkaya, Umut Yılmaz
Publisher: name: Zenodo
Year: 2017
Subjects: European Union; Turkey; EU-Turkey relations; European Regions; 1984-2016; NUTS2 Regions; European Research Area; Knowledge Cohes; European Union Framework Programme; Knowledge Hub; Conflict

description: FEUTURE Online Paper No. 10

In a knowledge economy, it is interesting to see that the concept of knowledge cohesion is a fertile soil for research. Despite the ongoing interest in investigating whether economic cohesion has been achieved in Europe there is no work that looks at knowledge cohesion. Though it is difficult to investigate such an abstract concept one can look at a more concrete concept such as convergence. Using the European Union Framework Programme data from 1984 to 2016 we show that there are signs of knowledge convergence within the NUTS2 regions. Despite the fact, the top performers persist over the years the convergence is much stronger among the less developed regions. The results also show that Turkey enhanced its position in knowledge exchange considerably where some of its developed regions are emergent knowledge hubs. These results indicate that Turkish knowledge system is tied strongly to the European Research Area which reduces the probability of conflict scenario.
description: This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 692976. This publication reflects the views only of the authors, and the Commission cannot be held responsible for any use which may be made of the information contained therein.
GSim: A Graph Neural Network based Relevance Measure for Heterogeneous Graphs
Creators: name: Luo, Linhao
name: Fang, Yixiang
name: Lu, Moli
name: Cao, Xin
name: Zhang, Xiaofeng
name: Zhang, Wenjie
Publisher: name: arXiv
Year: 2022
Subjects: subject: Information Retrieval (cs.IR)
subject: Machine Learning (cs.LG)
subject: FOS: Computer and information sciences

description: Heterogeneous graphs, which contain nodes and edges of multiple types, are prevalent in various domains, including bibliographic networks, social media, and knowledge graphs. As a fundamental task in analyzing heterogeneous graphs, relevance measure aims to calculate the relevance between two objects of different types, which has been used in many applications such as web search, recommendation, and community detection. Most of existing relevance measures focus on homogeneous networks where objects are of the same type, and a few measures are developed for heterogeneous graphs, but they often need the pre-defined meta-path. Defining meaningful meta-paths requires much domain knowledge, which largely limits their applications, especially on schema-rich heterogeneous graphs like knowledge graphs. Recently, the Graph Neural Network (GNN) has been widely applied in many graph mining tasks, but it has not been applied for measuring relevance yet. To address the aforementioned problems, we propose a novel GNN-based relevance measure, namely GSim. Specifically, we first theoretically analyze and show that GNN is effective for measuring the relevance of nodes in the graph. We then propose a context path-based graph neural network (CP-GNN) to automatically leverage the semantics in heterogeneous graphs. Moreover, we exploit CP-GNN to support relevance measures between two objects of any type. Extensive experiments demonstrate that GSim outperforms existing measures.
description: Accepted by TKDE
Constraints on the neutrino mass and the primordial magnetic field from the matter density fluctuation parameter $σ_8$
Creators: name: Yamazaki, Dai G.
name: Ichiki, Kiyotomo
name: Kajino, Toshitaka
name: Mathews, Grant. J.
Publisher: name: arXiv
Year: 2010
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 have made an analysis of limits on the neutrino mass based upon the formation of large-scale structure in the presence of a primordial magnetic field. We find that a new upper bound on the neutrino mass is possible based upon fits to the cosmic microwave background and matter power spectrum when the existing independent constraints on the matter density fluctuation parameter $σ_8$ and the primordial magnetic field are taken into account.
description: 6 pages, 2 figures, final version to appear in Phys. Rev. D, to match proofs
title: Altern, Arbeit und Betrieb
Creators: name: :None
Publisher: name: Wissenschaftliche Verlagsgesellschaft mbH Stuttgart
Year: 2009
Subjects: subject: Älterer Arbeitnehmer
subject: Betriebszugehörigkeit
subject: Arbeitsplatzsicherung
subject: 300

description: Der Band fasst den Erkenntnisstand zum demographischen Wandel aus betriebswirtschaftlicher Perspektive zum Thema „Arbeit, Altern und Betrieb“ zusammen. Dabei werden insbesondere die Beschäftigungs-, Lohn- und Produktivitätseffekte in Betrieben untersucht und im internationalen Vergleich die Wirkungen institutioneller Rahmungen betrachtet. Die Befunde liefern erste Antworten auf die Frage, mit welchen Regelungen und Maßnahmen sowohl Beschäftigung älterer Arbeitnehmer als auch betriebliche Produktivität in Deutschland im demographischen Wandel gewährleistet und verbessert werden können.
description: Nova Acta Leopoldina: NAL ; Abhandlungen der Deutschen Akademie der Naturforscher Leopoldina, vol. 101, Nummer 365
Toward understanding the early stages of an impulsively accelerated coronal mass ejection
Creators: name: Patsourakos, S.
name: Vourlidas, A.
name: Kliem, B.
Publisher: name: arXiv
Year: 2010
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: The expanding magnetic flux in coronal mass ejections (CMEs) often forms a cavity. A spherical model is simultaneously fit to STEREO EUVI and COR1 data of an impulsively accelerated CME on 25 March 2008, which displays a well-defined extreme ultraviolet (EUV) and white-light cavity of nearly circular shape already at low heights ~ 0.2 Rs. The center height h(t) and radial expansion r(t) of the cavity are obtained in the whole height range of the main acceleration. We interpret them as the axis height and as a quantity proportional to the minor radius of a flux rope, respectively. The three-dimensional expansion of the CME exhibits two phases in the course of its main upward acceleration. From the first h and r data points, taken shortly after the onset of the main acceleration, the erupting flux shows an overexpansion compared to its rise, as expressed by the decrease of the aspect ratio from k=h/r ~ 3 to k ~ (1.5-2.0). This phase is approximately coincident with the impulsive rise of the acceleration and is followed by a phase of very gradual change of the aspect ratio (a nearly self-similar expansion) toward k ~ 1.5 at h ~ 10 Rs. The initial overexpansion of the CME cavity can be caused by flux conservation around a rising flux rope of decreasing axial current and by the addition of flux to a growing, or even newly forming,flux rope by magnetic reconnection. Further analysis will be required to decide which of these contributions is dominant. The data also suggest that the horizontal component of the impulsive cavity expansion (parallel to the solar surface) triggers the associated EUV wave, which subsequently detaches from the CME volume.
description: in press, A&A, 2010
EU-Turkey Relations: Security Drivers from Eastern Neighbourhood
Creators: name: Braun-Dorrell, Taylor
name: Kastetter, Annika
name: Manioli, Panagiota
name: de Pedro, Nicolás
Publisher: name: Zenodo
Year: 2018
Subjects: European Union; Turkey; EU-Turkey Relations; Eastern Neighbourhood; Security Drivers; Security Policy; Russia; Conflict; Information Warfare

description: FEUTURE Online Paper No. 23

A number of developments in the Eastern Neighbourhood since 1999 have affected EU-Turkish security relations. In particular, the rise of Russian influence in the region and Turkey’s increasingly complex relations with both the EU and Russia will affect EU-Turkish relations. This paper provides background on the Eastern Neighbourhood’s security context from 1999 and investigates the drivers that currently have the greatest effect on EU-Turkish security interests and threat perceptions in the region. The research suggests the EU-Turkish security relationship will be primarily conflictual, but with key points of cooperation particularly in fighting Russia’s information warfare tactics.
description: This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 692976. This publication reflects the views only of the authors, and the Commission cannot be held responsible for any use which may be made of the information contained therein
Automorphism groups of compact complex surfaces: T-Jordan property, Tits alternative and solvability
Creators: name: Jia, Jia
Publisher: name: arXiv
Year: 2022
Subjects: subject: Algebraic Geometry (math.AG)
subject: Complex Variables (math.CV)
subject: Group Theory (math.GR)
subject: FOS: Mathematics
subject: 08A35, 14J50, 14E07, 32M05, 32Q15

description: Let $X$ be a (smooth) compact complex surface. We show that the torsion subgroup of the biholomorphic automorphism group $\operatorname{Aut}(X)$ is virtually nilpotent. Moreover, we study the Tits alternative of $\operatorname{Aut}(X)$ and virtual derived length of virtually solvable subgroups of $\operatorname{Aut}(X)$.
description: Minor revision. Final version
AMBER force field parameters for the Zn (II) ions of the tunneling-fold enzymes GTP cyclohydrolase I and 6‐pyruvoyl tetrahydropterin synthase
Creators: name: Khairallah, Afrah
name: Bishop, Özlem Tastan
name: Moses, Vuyani
Publisher: name: Taylor & Francis
Year: 2020
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: The folate biosynthesis pathway is an essential pathway for cell growth and survival. Folate derivatives serve as a source of the one-carbon units in several intracellular metabolic reactions. Rapidly dividing cells rely heavily on the availability of folate derivatives for their proliferation. As a result, drugs targeting this pathway have shown to be effective against tumor cells and pathogens, but drug resistance against the available antifolate drugs emerged quickly. Therefore, there is a need to develop new treatment strategies and identify alternative metabolic targets. The two de novo folate biosynthesis pathway enzymes, GTP cyclohydrolase I (GCH1) and 6-pyruvoyl tetrahydropterin synthase (PTPS), can provide an alternative strategy to overcome the drug resistance that emerged in the two primary targeted enzymes dihydrofolate reductase and dihydropteroate synthase. Both GCH1 and PTPS enzymes contain Zn2+ ions in their active sites, and to accurately study their dynamic behaviors using all-atom molecular dynamics (MD) simulations, appropriate parameters that can describe their metal sites should be developed and validated. In this study, force field parameters of the GCH1 and PTPS metal centers were generated using quantum mechanics (QM) calculations and then validated through MD simulations to ensure their accuracy in describing and maintaining the Zn2+ ion coordination environment. The derived force field parameters will provide accurate and reliable MD simulations involving these two enzymes for future in-silico identification of drug candidates against the GCH1 and PTPS enzymes. Communicated by Ramaswamy H. Sarma