cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Diversity, abundance and distribution of lianas of the Cerrado–Amazonian forest transition, Brazil
Creators: name: Lloyd, Jon
name: Phillips, Oliver L.
name: Oliveira, Edmar Almeida De
name: Marimon, Beatriz Schwantes
name: Feldpausch, Ted R.
name: Colli, Guarino Rinaldi
name: Marimon-Junior, Ben Hur
name: Lenza, Eddie
name: Maracahipes, Leandro
name: Claudinei Oliveira-Santos
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: Background: Lianas strongly influence tropical forest dynamics and diversity. Aims: To determine the relationship among richness, diversity, abundance and distribution of liana species in different vegetation formation types along a gradient within a savanna–forest transition zone in central Brazil. Methods: All liana species were identified and their girth measurements (≥5 cm) taken in one 1 ha plot at each of 15 sites that encompassed a range of vegetation types: dystrophic cerradão (tall closed woodland cerrado), gallery forest, flooded forest, semi-deciduous seasonal forest (one monodominant) and evergreen forest. We evaluated and compared the communities in terms of richness, community diversity (Shannon's H’), equitability (Hurlbert's, PIE), and the distribution of liana abundance. Results: In total, 1467 individual lianas belonging to 65 species, 41 genera and 17 families were recorded in the 15 ha sampled. The value of H’ varied from 0–2.47, and that of PIE ranged from 0–0.90. While flooded forests had remarkably high liana densities, their liana community was dominated by just one species, Combretum laxum (64% of stems); the most abundant liana in non-flooded forests was Heteropterys eglandulosa (13%). The different liana species showed varying affiliations with vegetation type, with distinct species groupings associated with the different vegetation types. Conclusions: Variations in species composition and distribution of lianas in this savanna–forest transition were found to be driven by environmental gradients that cause distinct species associations with discrete vegetation formation types.
Observation of a New Mechanism Balancing Hardening and Softening in Metals
Creators: name: Tianbo Yu
name: Hansen, Niels
name: Xiaoxu Huang
name: Godfrey, Andy
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: Plastic deformation of metals refines the microstructure and increases the strength through work hardening, but this effect of deformation is counterbalanced by dynamic recovery. After large strain, the microstructure typically shows a lamellar morphology, with finely spaced lamellar boundaries connected by triple junctions. Here, we report that mechanically assisted triple junction motion is an important contributor to dynamic recovery, leading to an almost steady state. Triple junction motion replaces two boundaries by one, while maintaining the structural morphology. The observation rationalizes both a decreasing work hardening rate and the approach to a dynamic equilibrium of structural refinement at large strains.
Atomistic Simulations of Compression Tests on Ni3Al Nanocubes
Creators: name: J. Amodeo
name: C. Begau
name: E. Bitzek
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: The deformation behaviour of nano-sized Ni3Al cubes with {100} side surfaces is investigated under uniaxial compression using constant-temperature molecular dynamics simulations at 300 K. The simulations reproduce key features of recently performed nanocompression experiments, namely the lack of strain hardening, homogeneous deformation of the entire sample and overall high stress levels of the order of 3–5 GPa. According to the simulations, the critical initial step is the formation of a pseudo-twin structure, which then further deforms by Shockley partial dislocations. These deformation mechanisms differ significantly from bulk Ni3Al and are rationalized in terms of generalized stacking fault energies and resolved shear stresses.
A Methodology for Quantitatively Characterizing the Dispersion of Nanostructures in Polymers and Composites
Creators: name: S. Pfeifer
name: P.R. Bandaru
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: We seek to provide a metric for quantifying the degree of dispersion of nanostructures, such as carbon nanotubes in polymeric and other matrices, motivated by the technological importance of nanostructure-based composites. Our proposed measure of dispersion uses a quadrat-based sampling algorithm and a metric d(P| | Q), to correlate randomness to the dispersion. This allows a quantitative comparison of the given distribution (say, P) to a preferred distribution or pattern (say, Q). We provide examples from our own studies and those from the literature on the application of the metric.
Efficient passive sampler using copper oxide micro-adsorbent for the detection of volatile sulfur compounds (VSCs) from the small lab-scale spilled crude oil
Creators: name: Saleem, Hozan Jalal
name: Salih, Yousif Mustafa
name: Hamasalih, Luqman Omar
name: Omer, Khalid M.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Space Science
subject: Medicine
subject: Molecular Biology
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: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Plant Biology

description: A laboratory-made passive sampler based on CuO microparticles was developed as a simple and cost-effective device for detecting volatile sulfur compounds (VSCs). A small vial filled with CuO microparticles used as a passive sampler. In a closed system, and after exposed to the real sample (crude oil in Petri dish), the adsorbent was desorbed. The VSCs were detected in gas chromatograph (GC) with PFPD detector. The experimental results showed that CuO based passive sampler can detect many numbers of VSCs. The results from CuO micro-adsorbents were compared with commercial charcoal adsorbent in the same passive sampler setup. CuO based passive sample showed much better than charcoal in which the amount of VSCs adsorbed by CuO are nearly double value from charcoal adsorption. Furthermore, 2-Methylthiophene, 2-propanethiol and allyl methyl sulfide were adsorbed remarkably by CuO microparticles.
Observation of a New Mechanism Balancing Hardening and Softening in Metals
Creators: name: Tianbo Yu
name: Hansen, Niels
name: Xiaoxu Huang
name: Godfrey, Andy
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: Plastic deformation of metals refines the microstructure and increases the strength through work hardening, but this effect of deformation is counterbalanced by dynamic recovery. After large strain, the microstructure typically shows a lamellar morphology, with finely spaced lamellar boundaries connected by triple junctions. Here, we report that mechanically assisted triple junction motion is an important contributor to dynamic recovery, leading to an almost steady state. Triple junction motion replaces two boundaries by one, while maintaining the structural morphology. The observation rationalizes both a decreasing work hardening rate and the approach to a dynamic equilibrium of structural refinement at large strains.
Atomistic Simulations of Compression Tests on Ni3Al Nanocubes
Creators: name: J. Amodeo
name: C. Begau
name: E. Bitzek
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: The deformation behaviour of nano-sized Ni3Al cubes with {100} side surfaces is investigated under uniaxial compression using constant-temperature molecular dynamics simulations at 300 K. The simulations reproduce key features of recently performed nanocompression experiments, namely the lack of strain hardening, homogeneous deformation of the entire sample and overall high stress levels of the order of 3–5 GPa. According to the simulations, the critical initial step is the formation of a pseudo-twin structure, which then further deforms by Shockley partial dislocations. These deformation mechanisms differ significantly from bulk Ni3Al and are rationalized in terms of generalized stacking fault energies and resolved shear stresses.
Functional characterisation of human blood dendritic cell subsets during plasmodium infection
Creators: name: Loughland, Jessica Rita
Publisher: name: Charles Darwin University
Year: 2016

description: Malaria caused by Plasmodium remains a major global health problem, with 3.2 billion people estimated at risk of infection. Protective immunity to malaria is slow to develop, incomplete and short-lived. Impairment of dendritic cell (DC) function is one way Plasmodium falciparum evades host immune responses. In malaria-naive adult volunteers, peripheral DC were examined before and after intra-venous inoculation of P. falciparum or P. vivax infected red blood cells. The viability, number, maturation (HLA-DR, CD86) and cytokine production (TNF, IL-12, IL-10 and IFN-α) to toll like receptor (TLR) stimulation of plasmacytoid DC (pDC) and myeloid DC (CD1c+, CD141+ and CD16+ mDC) were measured using flow cytometry. Total RNA sequencing examined longitudinal pDC gene expression changes in 5 adults before and at peak infection. During a first Plasmodium infection CD1c+ mDC, CD141+ mDC and pDC (not CD16+ mDC) decline with increased apoptosis. HLA-DR expression significantly reduced on CD1c+ mDC, CD141+ mDC and pDC, but remained stable on CD16+ mDC. P. falciparum infection compromised CD1c+ mDC failed to upregulate HLA-DR and CD86 upon TLR stimulation and produced significantly more TNF (with unchanged IL-12). In contrast, pDC and CD16+ mDC retained appropriate maturation and cytokine responsiveness in a first P. falciparum infection. A primary P. falciparum infection altered a small set of pDC genes. DC subsets are differentially impacted during a primary Plasmodium infection. CD1c+ mDC are functionally compromised while pDC and CD16+ mDC retain function. We hypothesise Plasmodium induced DC subset modulation hampers immune responsiveness and assists parasite expansion. Understanding how and why DC subsets are disproportionately impacted by P. falciparum and P. vivax may aid development of strategies to prevent parasite immune evasion and enhance protective immune responses, and potentially guide vaccine strategies for malaria elimination.
Raising the voice of patients with RMDs on social media
Creators: name: Stones, Simon
Publisher: name: figshare
Year: 2024
Subjects: classificationCode: 470102
subject: Communication technology and digital media studies
classificationCode: 320223
subject: Rheumatology and arthritis

description: Presentation delivered at the Annual European Congress of Rheumatology 2022, held in Copenhagen, Denmark, on 1 June 2022, in the 'Social Media and Digital Sources in Rheumatology' session.
title: “To be a judge means to be criticized from all sides”: An interview with Angelika Nußberger
Creators: name: Kunz, Raffaela
name: Schmalz, Dana
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2020
Subjects: subject: 341

description: Völkerrechtsblog
The Basel Problem Revisited: Unveiling a Novel Computational Methodology in Infinite Series Analysis
Creators: name: Fascia, Michael
Publisher: name: Zenodo
Year: 2024

description: This paper reexamines the Basel problem, an inquiry into the sum ofthe infinite series of squared reciprocals, famously resolved by LeonhardEuler. Euler’s resolution has left a lasting legacy on the domains of mathematicalanalysis, number theory, and complex analysis. In this study, weaugment historical methodologies with contemporary computational techniques,introducing the Fascia Formula, an innovative method designedfor the efficient approximation of infinite series. This method significantlystreamlines computational procedures and accelerates numerical calculations,rendering it indispensable for scenarios necessitating swift and dependableestimations. We explore Euler’s classical strategies juxtaposedwith this novel contribution, substantiating the performance and precisionof the Fascia Formula through rigorous mathematical proofs. Ouranalysis contrasts its computational economy and enhanced processingvelocity with conventional methods. Moreover, the broader ramificationsof our findings for pedagogical and practical applications are discussed,illustrating how the Fascia Formula acts as a conduit linking venerablemathematical inquiries with modern computational exigencies. The integrationof the Fascia Formula into the narrative of the Basel problemnot only reaffirms the pertinence of these classical inquiries within today’smathematical discourse but also highlights how contemporary innovationscan advance theoretical and applied mathematics. This synthesis underscoresthe potential of new analytical tools to fortify the foundations ofmathematical analysis, ensuring that traditional challenges continue to inspireand inform future generations of mathematicians. The paper makesa notable contribution to the field by introducing a theoretically soundand computationally efficient method for series approximation.
The self- and shared-management of JIA: A new framework for research, policy, and practice
Creators: name: Stones, Simon
Publisher: name: figshare
Year: 2024
Subjects: classificationCode: 320223
subject: Rheumatology and arthritis
classificationCode: 520101
subject: Child and adolescent development

description: Presentation delivered at the Annual European Congress of Rheumatology 2022, held in Copenhagen, Denmark, on 2 June 2022, in the 'HPR: From prevention to management' session.
Development of the Greater Sunrise gas field in the Timor Sea
Creators: name: Le Lievre, Trevor Douglas
Publisher: name: Charles Darwin University
Year: 2008

description: The focus of this research is the Greater Sunrise gas-condensate field, discovered in 1974 and located in the Timor Sea, north of Australia’s Northern Territory. Jointly owned by Australia and neighbouring East Timor, Greater Sunrise comprises a valuable natural resource which, however, remains untapped due to various political, economic, and legal challenges, amongst others. This outcome is detrimental to Australia’s national interest; in particular, a Darwin-based LNG-domestic gas project would provide a competitive energy source to generate sustainable development for the economically vulnerable Northern Territory. In addition, the Greater Sunrise project would realise a substantial revenue stream for both the Australian Federal and the financially constrained East Timorese governments. Thus, the core question underpinning the research is: Why does Greater Sunrise remain undeveloped over three decades since discovery, despite the stated aspirations of major stakeholders? To address this question a suitably robust analytical framework is developed to identify and assess salient actors and factors that have impacted on the Greater Sunrise project. Actors considered include the Australian Federal, the Northern Territory and the East Timorese Governments, along with the Greater Sunrise joint venture partners, and various NGO and civil society groups active in the project environment. Factors include dynamic global gas markets, international legal maritime boundary determinants, technical project aspects, and the paramount role of politics in influencing economic decisions. It is intended that the findings of the analysis will inform future policy development to promote expeditious development of valuable offshore petroleum resources, in Australia’s national interest. This objective assumes a role for government in the commercial environment which, it is acknowledged, contravenes contemporary economic orthodoxy. Thus, theoretical justification is presented by showing that the non-development of Greater Sunrise constitutes a form of market failure. Finally, it is suggested that a holistic national energy policy, including a clearly defined role for natural gas to contribute to Australia’s energy future, is the most efficacious means to provide certainty for investment in the dynamic and complex petroleum project environment.
Gilles Pialoux
Creators: name: Leibowitch, Jacques (1942-2020)
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020

description: Pièce jointe : présentation de la mission "Les Traitements des Infections aux Virus du SIDA : vers les super (tri) thérapies de troisième génération et la réduction des prises médicamenteuses ".
description: 1 fichier (9 pages)
Theoretical study on the electronic structures and phosphorescent properties of a series of iridium(III) complexes with N^C^N-coordinating terdentate ligands
Creators: name: Deming Han
name: Xiaohong Shang
name: Lihui Zhao
name: Xiuping Sun
name: Zhang, Gang
name: Ji, Wei
Publisher: name: Taylor & Francis
Year: 2014
Subjects: subject: Biophysics
subject: Biochemistry
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences

description: The geometry structures, electronic structures, absorption, and phosphorescent properties of a series of iridium(III) complexes with the structure Ir(N^C^N)(N^C)Cl, (N^C^N represents a terdentate coordination with different substituent groups C2H5 (1), NH2 (2), CH3 (3), H (4), CN (5), NO2 (6), and CF3 (7), N^C is 2-phenylpyridine) have been investigated using the density functional theory and time-dependent density functional theory. Calculations of ionisation potential and electron affinity were used to evaluate the injection abilities of holes and electrons into these complexes. The lowest energy absorption wavelength calculated is in good agreement with the experimental value. The lowest energy emissions of complexes 1−7 are localised at 552, 559, 549, 517, 627, 788, and 574 nm, respectively, at CAM-B3LYP level. For complexes 1 and 3, the calculated results showed a lower and larger 3MLCT contributions and higher values, which could result in the larger kr value than those of other complexes. It is anticipated that the theoretical studies can provide useful information for designing and synthesising the candidated phosphorescent material for use in the organic light-emitting diodes.
Paranthaclisis Banks 1907
Creators: name: Marquez-López, Yesenia
name: Martins, Caleb C.
name: Contreras-Ramos, Atilano
Publisher: name: Zenodo
Year: 2023
Subjects: Biodiversity
Taxonomy
Animalia
Arthropoda
Insecta
Neuroptera
Myrmeleontidae
Paranthaclisis

description: Paranthaclisis Banks  Paranthaclisis Banks, 1907: 275. Type species. Acanthaclisis congener Hagen, 1861 by subsequent designation of Banks, 1927: 80 as “ Paranthaclisis congener (Hagen, 1861) ”.
Included species: Paranthaclisis congener (Hagen,1861); Paranthaclisis floridensis Stange and Miller, 2012; Paranthaclisis hageni (Banks, 1899); Paranthaclisis nevadensis Banks, 1939; Paranthaclisis stangei Marquez, Martins and Contreras, sp. n.
description: Published as part of Marquez-López, Yesenia, Martins, Caleb C. & Contreras-Ramos, Atilano, 2022, A new species of Paranthaclisis Banks (Neuroptera, Myrmeleontidae) from the Peninsula of Baja California, Mexico, pp. 1-10 in Revista Brasileira de Entomologia (e 20220084) (e 20220084) 66 on page 2, DOI: 10.1590/1806-9665-RBENT-2022-0084, http://zenodo.org/record/13197292
title: 03_0545
Creators: name: Wesley Baldwin, John
name: Baldwin, John W.
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2018
Subjects: subject: LaMOP
subject: Laboratoire de Médiévistique Occidentale de Paris

description: L'ensemble de ces notes ont été crée par John Baldwin lors d'une de ses premières périodes de résidence à Paris. Ces documents comprennent tous les magistri qu’il avait pu rencontrer dans ses sources. Aux XIIème et XIIIème siècles, les universités n'existant pas encore, le titre de magister s'il évoque certainement une compétence n'est pas rattaché de façon systématique au passage par les écoles. De surcroît, les magistris sont le plus souvent désignés par leur seul prénom. La lecture de ces données est donc difficile et suppose un long travail pour tenter d'identifier un individu auquel on pourrait rattacher plusieurs mentions. John Baldwin avait donc renoncé à utiliser ces données pour donner un prolongement à sa magnifique étude sur les gradués d'université et leur emploi par les Capétiens et les Plantagenêts. Néanmoins, il a conservé ces données et elles sont potentiellement très utile dans le cadre de Studium, comme le sont toutes les mentions dans les volumes des Fasti Ecclesiae Gallicanae de chanoines portant ce titre de magister sans autres précisions. L'ampleur des dépouillements rend ces données très utiles et nous devons une grande reconnaissance à John Baldwin pour avoir pris la peine de faire photocopier ses fiches et de nous les avoir transmises amicalement.
Les données ainsi que les images des fiches sont accessibles sur le site Internet à l'adresse suivante : http://studium-baldwin.lamop.fr/.
Les transcriptions des fiches ont été effectuées par des étudiants de Paris 1 Panthéon - Sorbonne mais elles n'ont pas été corrigées par la suite.
description: Relation: https://lamop.hypotheses.org/
Portraiture in the bathroom
Creators: name: Martin, Regis Alain Michel
Publisher: name: Charles Darwin University
Year: 2007

description: Portraiture in the bathroom is a photographic based research project undertaken in the Darwin area, in northern Australia. The bathroom environment is utilized as a decoder of its Owners character. By agreeing to being portrayed in what could be considered the most intimate room of the household, people will lift part of the veil protecting their personality and open one of the many doors leading into their soul. Through centuries, artists from different backgrounds and cultures have focused part of their work on the bathroom, or the rituals of washing and taking care of one’s own body. The reasons, motives, interpretation and perceptions of this subject have evolved dramatically over time. I will focus on the subject of the bathroom and representations of the nude in contemporary western art. This exegesis begins by discussing the gaze upon the nude during the past century and its evolution. It then focuses on the democratization of the portrait. It will then concentrate on the environmental portrait and the development of my personal research. VI This research is undertaken in an attempt to understand and answer the issues raised by the topic of portraiture in the bathroom, which will then be applied to the author’s own artistic practice of environmental portraiture. This has been the author’s main point of focus for the past four years, and this research set out to resolve some of the problematic regarding environmental portraiture.
Properties of sugar-based low-melting mixtures
Creators: name: Fischer, Veronika
name: Kunz, Werner
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: Physico-chemical properties of ternary sugar-based low-melting mixtures were determined. Choline chloride, urea and glucose or sorbitol, serving as sugars, were blended in various compositions. The refractive index, density, viscosity, decomposition temperatures and glass transition temperatures were measured. Further, the influence of temperature and water content was investigated. The results show that the mixtures are liquid below room temperature and the viscosity and density are dependent on the temperature and composition. Moreover, the viscosity decreases with increasing water content. These mixtures are biodegradable, low toxic, non-volatile, non-reactive with water and can be accomplished with low-cost materials. In consideration of these advantages and a melting point below room temperature, these low-melting mixtures can be a good alternative to ionic liquids as well as environmentally unfriendly and toxic solvents.
Convergent study of Ru–ligand interactions through QTAIM, ELF, NBO molecular descriptors and TDDFT analysis of organometallic dyes
Creators: name: Sánchez-Coronilla, Antonio
name: Sánchez-Márquez, Jesús
name: Zorrilla, David
name: Martín, Elisa I.
name: Desireé M. De Los Santos
name: Navas, Javier
name: Fernández-Lorenzo, Concha
name: Alcántara, Rodrigo
name: Martín-Calleja, Joaquín
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: We report a theoretical study of a series of Ru complexes of interest in dye-sensitised solar cells, in organic light-emitting diodes, and in the war against cancer. Other metal centres, such as Cr, Co, Ni, Rh, Pd, and Pt, have been included for comparison purposes. The metal–ligand trends in organometallic chemistry for those compounds are shown synergistically by using three molecular descriptors: quantum theory of atoms in molecules (QTAIM), electron localisation function (ELF) and second-order perturbation theory analysis of the natural bond orbital (NBO). The metal–ligand bond order is addressed through both delocalisation index (DI) of QTAIM and fluctuation index (λ) of ELF. Correlation between DI and λ for Ru–N bond in those complexes is introduced for the first time. Electron transfer and stability was also assessed by the second-order perturbation theory analysis of the NBO. Electron transfer from the lone pair NBO of the ligands toward the antibonding lone pair NBO of the metal plays a relevant role in stabilising the complexes, providing useful insights into understanding the effect of the ‘expanded ligand’ principle in supramolecular chemistry. Finally, absorption wavelengths associated to the metal-to-ligand charge transfer transitions and the highest occupied molecular orbital (HOMO)--lowest unoccupied molecular orbital (LUMO) characteristics were studied by time-dependent density functional theory.
title: The Territorial Expansion of Frontex Operations to Third Countries: On the Recently Concluded Status Agreements in the Western Balkans and Beyond…
Creators: name: Coman-Kund, Florin
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2020
Subjects: subject: 342

description: Verfassungsblog: On Matters Constitutional
Theoretical study on the electronic structures and phosphorescent properties of a series of iridium(III) complexes with N^C^N-coordinating terdentate ligands
Creators: name: Deming Han
name: Xiaohong Shang
name: Lihui Zhao
name: Xiuping Sun
name: Zhang, Gang
name: Ji, Wei
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: The geometry structures, electronic structures, absorption, and phosphorescent properties of a series of iridium(III) complexes with the structure Ir(N^C^N)(N^C)Cl, (N^C^N represents a terdentate coordination with different substituent groups C2H5 (1), NH2 (2), CH3 (3), H (4), CN (5), NO2 (6), and CF3 (7), N^C is 2-phenylpyridine) have been investigated using the density functional theory and time-dependent density functional theory. Calculations of ionisation potential and electron affinity were used to evaluate the injection abilities of holes and electrons into these complexes. The lowest energy absorption wavelength calculated is in good agreement with the experimental value. The lowest energy emissions of complexes 1−7 are localised at 552, 559, 549, 517, 627, 788, and 574 nm, respectively, at CAM-B3LYP level. For complexes 1 and 3, the calculated results showed a lower and larger 3MLCT contributions and higher values, which could result in the larger kr value than those of other complexes. It is anticipated that the theoretical studies can provide useful information for designing and synthesising the candidated phosphorescent material for use in the organic light-emitting diodes.
Properties of sugar-based low-melting mixtures
Creators: name: Fischer, Veronika
name: Kunz, Werner
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: Physico-chemical properties of ternary sugar-based low-melting mixtures were determined. Choline chloride, urea and glucose or sorbitol, serving as sugars, were blended in various compositions. The refractive index, density, viscosity, decomposition temperatures and glass transition temperatures were measured. Further, the influence of temperature and water content was investigated. The results show that the mixtures are liquid below room temperature and the viscosity and density are dependent on the temperature and composition. Moreover, the viscosity decreases with increasing water content. These mixtures are biodegradable, low toxic, non-volatile, non-reactive with water and can be accomplished with low-cost materials. In consideration of these advantages and a melting point below room temperature, these low-melting mixtures can be a good alternative to ionic liquids as well as environmentally unfriendly and toxic solvents.
title: Frontex goes Africa: On Pre-emptive Border Control and Migration Management
Creators: name: Moser, Carolyn
name: Ferahkaya, Rabia
name: Märtin, Lukas
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2020
Subjects: subject: 342

description: Verfassungsblog: On Matters Constitutional
Convergent study of Ru–ligand interactions through QTAIM, ELF, NBO molecular descriptors and TDDFT analysis of organometallic dyes
Creators: name: Sánchez-Coronilla, Antonio
name: Sánchez-Márquez, Jesús
name: Zorrilla, David
name: Martín, Elisa I.
name: Desireé M. De Los Santos
name: Navas, Javier
name: Fernández-Lorenzo, Concha
name: Alcántara, Rodrigo
name: Martín-Calleja, Joaquín
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: We report a theoretical study of a series of Ru complexes of interest in dye-sensitised solar cells, in organic light-emitting diodes, and in the war against cancer. Other metal centres, such as Cr, Co, Ni, Rh, Pd, and Pt, have been included for comparison purposes. The metal–ligand trends in organometallic chemistry for those compounds are shown synergistically by using three molecular descriptors: quantum theory of atoms in molecules (QTAIM), electron localisation function (ELF) and second-order perturbation theory analysis of the natural bond orbital (NBO). The metal–ligand bond order is addressed through both delocalisation index (DI) of QTAIM and fluctuation index (λ) of ELF. Correlation between DI and λ for Ru–N bond in those complexes is introduced for the first time. Electron transfer and stability was also assessed by the second-order perturbation theory analysis of the NBO. Electron transfer from the lone pair NBO of the ligands toward the antibonding lone pair NBO of the metal plays a relevant role in stabilising the complexes, providing useful insights into understanding the effect of the ‘expanded ligand’ principle in supramolecular chemistry. Finally, absorption wavelengths associated to the metal-to-ligand charge transfer transitions and the highest occupied molecular orbital (HOMO)--lowest unoccupied molecular orbital (LUMO) characteristics were studied by time-dependent density functional theory.
High-resolution infrared spectroscopy of 13C12CD2: the bending states with υ4+υ5 up to 3
Creators: name: L. Fusina
name: E. Canè
name: F. Tamassia
name: M. Villa
name: G. Di Lonardo
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: The high-resolution infrared spectrum of deuterated acetylene containing one 13C atom, 13C12CD2, has been recorded by Fourier transform spectroscopy in the range 450–1700 cm−1. The υ4 and υ5 bending fundamental bands and a number of overtone, combination and hot bands were identified. In total, 3210 rotation vibration transitions were assigned to 27 bands involving bending states with both υ4 + υ5 and |l4 + l5| up to 3. The ground state and 13 vibrationally excited states were characterised, i.e., all the l-vibrational components of the excited bending manifolds with υ4 + υ5 up to 2, (IIΠ), (IIΠ), and (Π and Φ). Two simultaneous least-squares fits of all assigned transitions have been performed, one considering transitions with υ4 + υ5 up to 2, the other adding the transitions with υ4 + υ5 = 3. The model Hamiltonian adopted for the analysis takes into account the usual vibration and rotation l-type resonances within each vibrational manifold and the Darling−Dennison anharmonic resonance between and , and between and . Two sets of 33 and 42, respectively, spectroscopic parameters were derived. They reproduce 1512 and 2450 assigned transitions with root mean square values of 3.5 × 10−4 and 3.9 × 10−4 cm−1, respectively. The transitions of four hot bands reaching the (IIΠ) state were fitted simultaneously to the effective upper state parameters.
title: International law in an age of catastrophe: Call for Contributions for a symposium on Climate Justice
Creators: name: Kunz, Raffaela
name: Schmalz, Dana
name: Saiger, Anna-Julia
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2020
Subjects: subject: 341

description: Völkerrechtsblog
Coupled cluster investigation on the thermochemistry of dimethyl sulphide, dimethyl disulphide and their dissociation products: the problem of the enthalpy of formation of atomic sulphur
Creators: name: Denis, Pablo A.
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: By means of coupled cluster theory and correlation consistent basis sets we investigated the thermochemistry of dimethyl sulphide (DMS), dimethyl disulphide (DMDS) and four closely related sulphur-containing molecules: CH3SS, CH3S, CH3SH and CH3CH2SH. For the four closed-shell molecules studied, their enthalpies of formation (EOFs) were derived using bomb calorimetry. We found that the deviation of the EOF with respect to experiment was 0.96, 0.65, 1.24 and 1.29 kcal/mol, for CH3SH, CH3CH2SH, DMS and DMDS, respectively, when ΔHf,0 = 65.6 kcal/mol was utilised (JANAF value). However, if the recently proposed ΔHf,0 = 66.2 kcal/mol was used to estimate EOF, the errors dropped to 0.36, 0.05, 0.64 and 0.09 kcal/mol, respectively. In contrast, for the CH3SS radical, a better agreement with experiment was obtained if the 65.6 kcal/mol value was used. To compare with experiment avoiding the problem of the ΔHf,0 (S), we determined the CH3–S and CH3–SS bond dissociation energies (BDEs) in CH3S and CH3SS. At the coupled cluster with singles doubles and perturbative triples correction level of theory, these values are 48.0 and 71.4 kcal/mol, respectively. The latter BDEs are 1.5 and 1.2 kcal/mol larger than the experimental values. The agreement can be considered to be acceptable if we take into consideration that these two radicals present important challenges when determining their EOFs. It is our hope that this work stimulates new studies which help elucidate the problem of the EOF of atomic sulphur.
title: Zwischen Neutralität und politischer Verantwortung: Das BVerfG verhandelt über Äußerungsbefugnisse von Regierungsmitgliedern
Creators: name: Budnik, Viktoria
name: Kamil Abdulsalam, Maryam
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2020
Subjects: subject: 342

description: Verfassungsblog: On Matters Constitutional
High-resolution infrared spectroscopy of 13C12CD2: the bending states with υ4+υ5 up to 3
Creators: name: L. Fusina
name: E. Canè
name: F. Tamassia
name: M. Villa
name: G. Di Lonardo
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: The high-resolution infrared spectrum of deuterated acetylene containing one 13C atom, 13C12CD2, has been recorded by Fourier transform spectroscopy in the range 450–1700 cm−1. The υ4 and υ5 bending fundamental bands and a number of overtone, combination and hot bands were identified. In total, 3210 rotation vibration transitions were assigned to 27 bands involving bending states with both υ4 + υ5 and |l4 + l5| up to 3. The ground state and 13 vibrationally excited states were characterised, i.e., all the l-vibrational components of the excited bending manifolds with υ4 + υ5 up to 2, (IIΠ), (IIΠ), and (Π and Φ). Two simultaneous least-squares fits of all assigned transitions have been performed, one considering transitions with υ4 + υ5 up to 2, the other adding the transitions with υ4 + υ5 = 3. The model Hamiltonian adopted for the analysis takes into account the usual vibration and rotation l-type resonances within each vibrational manifold and the Darling−Dennison anharmonic resonance between and , and between and . Two sets of 33 and 42, respectively, spectroscopic parameters were derived. They reproduce 1512 and 2450 assigned transitions with root mean square values of 3.5 × 10−4 and 3.9 × 10−4 cm−1, respectively. The transitions of four hot bands reaching the (IIΠ) state were fitted simultaneously to the effective upper state parameters.
Photodissociation dynamics of triatomic molecule in presence of pulsed and bichromatic laser field
Creators: name: Basir Ahamed Khan
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: The photodissociation dynamics of a triatomic molecule in the presence of pulsed and bichromatic electric field have been investigated. We have considered MgH2 molecule in its ground state potential energy surface. The time-dependent Fourier Grid Hamiltonian method is invoked to follow the dissociation dynamics as a function of field strength, frequency, phase difference, etc.
title: "GUIDE PRATIQUE SAFE 4/7 (d’après FOTO et ICCARRE) v 1.03 Juin 2015"
Creators: name: Leibowitch, Jacques
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020

description: Guide pour le traitement ICCARRE.
description: Source: http://www.calames.abes.fr/pub/ms/Calames-201931112328303119
description: created: start=1975;end=2018
The infrared spectrum of DCCF in the 320–850 cm−1 region: bending states up to υ4+υ5 = 3
Creators: name: Villa, Mattia
name: Canè, Elisabetta
name: Fusina, Luciano
name: Bürger, Hans
name: Litz, Marion
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorized

description: Infrared spectra of deuterated monofluoroacetylene, DCCF, have been recorded in the region between 320 and 850 cm−1 at an effective resolution ranging from 0.0024 to 0.0031 cm−1. In total, 6650 rotation vibration transitions were assigned to 37 bands involving the bending states with v4 + v5 and |l4+l5|, respectively, up to 3, allowing the characterisation of the ground state and of 18 vibrationally excited states. The vν5 bending fundamental has been studied for the first time. In addition, the difference band v3 ← v4 has been detected and analysed. All the assigned transitions have been fitted simultaneously by adopting a model Hamiltonian that takes into account the vibration and rotation l−type resonances. Rotational transitions in the ground and in bending excited states reported in the literature have been included in the global analysis. The set of 57 derived spectroscopic parameters reproduces 6130 infrared and 90 microwave and millimetre−wave transitions satisfactorily with root mean square values of 5.3 × 10−4 cm−1 and 77 kHz, respectively.
Coupled cluster investigation on the thermochemistry of dimethyl sulphide, dimethyl disulphide and their dissociation products: the problem of the enthalpy of formation of atomic sulphur
Creators: name: Denis, Pablo A.
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: By means of coupled cluster theory and correlation consistent basis sets we investigated the thermochemistry of dimethyl sulphide (DMS), dimethyl disulphide (DMDS) and four closely related sulphur-containing molecules: CH3SS, CH3S, CH3SH and CH3CH2SH. For the four closed-shell molecules studied, their enthalpies of formation (EOFs) were derived using bomb calorimetry. We found that the deviation of the EOF with respect to experiment was 0.96, 0.65, 1.24 and 1.29 kcal/mol, for CH3SH, CH3CH2SH, DMS and DMDS, respectively, when ΔHf,0 = 65.6 kcal/mol was utilised (JANAF value). However, if the recently proposed ΔHf,0 = 66.2 kcal/mol was used to estimate EOF, the errors dropped to 0.36, 0.05, 0.64 and 0.09 kcal/mol, respectively. In contrast, for the CH3SS radical, a better agreement with experiment was obtained if the 65.6 kcal/mol value was used. To compare with experiment avoiding the problem of the ΔHf,0 (S), we determined the CH3–S and CH3–SS bond dissociation energies (BDEs) in CH3S and CH3SS. At the coupled cluster with singles doubles and perturbative triples correction level of theory, these values are 48.0 and 71.4 kcal/mol, respectively. The latter BDEs are 1.5 and 1.2 kcal/mol larger than the experimental values. The agreement can be considered to be acceptable if we take into consideration that these two radicals present important challenges when determining their EOFs. It is our hope that this work stimulates new studies which help elucidate the problem of the EOF of atomic sulphur.
Photodissociation dynamics of triatomic molecule in presence of pulsed and bichromatic laser field
Creators: name: Basir Ahamed Khan
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: The photodissociation dynamics of a triatomic molecule in the presence of pulsed and bichromatic electric field have been investigated. We have considered MgH2 molecule in its ground state potential energy surface. The time-dependent Fourier Grid Hamiltonian method is invoked to follow the dissociation dynamics as a function of field strength, frequency, phase difference, etc.
Close detached white dwarf + brown dwarf binaries: further evidence for low values of the common envelope efficiency
Creators: name: Zorotovic, Monica
name: Schreiber, Matthias R.
Publisher: name: arXiv
Year: 2022
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: Common envelope evolution is a fundamental ingredient in our understanding of the formation of close binary stars containing compact objects which includes the progenitors of type Ia supernovae, short gamma ray bursts and most stellar gravitational wave sources. To predict the outcome of common envelope evolution we still rely to a large degree on a simplified energy conservation equation. Unfortunately, this equation contains a theoretically rather poorly constrained efficiency parameter ($α_{\mathrm{CE}}$) and, even worse, it is unclear if energy sources in addition to orbital energy (such as recombination energy) contribute to the envelope ejection process. In previous works we reconstructed the evolution of observed populations of post common envelope binaries (PCEBs) consisting of white dwarfs with main sequence star companions and found indications that the efficiency is rather small ($α_{\mathrm{CE}}\simeq0.2-0.3$) and that extra energy sources are only required in very few cases. Here we used the same reconstruction tool to investigate the evolutionary history of a sample of observed PCEBs with brown dwarf companions. In contrast to previous works, we found that the evolution of observationally well characterized PCEBs with brown dwarf companions can be understood assuming a low common envelope efficiency ($α_{\mathrm{CE}}=0.24-0.41$), similar to that required to understand PCEBs with main sequence star companions, and that contributions from recombination energy are not required. We conclude that the vast majority of PCEBs form from common envelope evolution that can be parameterized with a small efficiency and without taking into account additional energy sources.
description: Accepted by MNRAS. 10 pages, 1 figure, 2 tables
The infrared spectrum of DCCF in the 320–850 cm−1 region: bending states up to υ4+υ5 = 3
Creators: name: Villa, Mattia
name: Canè, Elisabetta
name: Fusina, Luciano
name: Bürger, Hans
name: Litz, Marion
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: Infrared spectra of deuterated monofluoroacetylene, DCCF, have been recorded in the region between 320 and 850 cm−1 at an effective resolution ranging from 0.0024 to 0.0031 cm−1. In total, 6650 rotation vibration transitions were assigned to 37 bands involving the bending states with v4 + v5 and |l4+l5|, respectively, up to 3, allowing the characterisation of the ground state and of 18 vibrationally excited states. The vν5 bending fundamental has been studied for the first time. In addition, the difference band v3 ← v4 has been detected and analysed. All the assigned transitions have been fitted simultaneously by adopting a model Hamiltonian that takes into account the vibration and rotation l−type resonances. Rotational transitions in the ground and in bending excited states reported in the literature have been included in the global analysis. The set of 57 derived spectroscopic parameters reproduces 6130 infrared and 90 microwave and millimetre−wave transitions satisfactorily with root mean square values of 5.3 × 10−4 cm−1 and 77 kHz, respectively.
A quasispecies continuous contact model in a subcritical regime
Creators: name: Pirogov, Sergey
name: Zhizhina, Elena
Publisher: name: arXiv
Year: 2022
Subjects: subject: Probability (math.PR)
subject: FOS: Mathematics

description: We study a non-equilibrium dynamical model: a marked continuous contact model in $d$-dimensional space, $d \ge 1$. In contrast with the continuous contact model in a critical regime, see \cite{KKP}, \cite{KPZ}, the model under consideration is in the subcritical regime and it contains an additional spontaneous spatially homogeneous birth from an external source. We prove that this system has an invariant measure. We prove also that the process starting from any initial distribution converges to this invariant measure.
description: arXiv admin note: substantial text overlap with arXiv:1601.07841
title: EGMR billigt Festung Europa mit Toren: Das Urteil der Großen Kammer in der Sache N.D. und N.T. gegen Spanien
Creators: name: Uerpmann-Wittzack, Robert
Publisher: name: Fachinformationsdienst für internationale und interdisziplinäre Rechtsforschung
Year: 2020
Subjects: subject: 341

description: Völkerrechtsblog
The narrowing of literature use and the restricted mobility of papers in the sciences
Creators: name: Varga, Attila
Publisher: name: arXiv
Year: 2022
Subjects: subject: Digital Libraries (cs.DL)
subject: Social and Information Networks (cs.SI)
subject: Physics and Society (physics.soc-ph)
subject: FOS: Computer and information sciences
subject: FOS: Physical sciences

description: It is a matter of debate whether a shrinking proportion of scholarly literature is getting most of the references over time. It is also less well understood how a narrowing literature usage would affect the circulation of ideas in the sciences. Here we show, that the utilization of scientific literature follows dual tendencies over time: while a larger proportion of literature is cited at least a few times, citations are also concentrating more on the top of the citation distribution. Parallel to the latter trend, a paper's future importance increasingly depends on its past citation performance. A random network model shows that the citation concentration is directly related to the greater stability of citation performance. The presented evidence suggests that the growing heterogeneity of citation impact restricts the mobility of research articles that do not gain attention early on. While concentration grows from the beginning of the studied period in 1970, citation dispersion manifest itself significantly only from the mid-1990s when the popularity of freshly published papers has also risen. Most likely, advanced information technologies to disseminate papers are behind both of these latter trends.