cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Influence of periodic external fields in multiagent models with language dynamics
Creators: name: Palombi, Filippo
name: Ferriani, Stefano
name: Toti, Simona
Publisher: name: arXiv
Year: 2017
Subjects: subject: Physics and Society (physics.soc-ph)
subject: Statistical Mechanics (cond-mat.stat-mech)
subject: Multiagent Systems (cs.MA)
subject: Adaptation and Self-Organizing Systems (nlin.AO)
subject: FOS: Physical sciences
subject: FOS: Computer and information sciences

description: We investigate large-scale effects induced by external fields, phenomenologically interpreted as mass media, in multiagent models evolving with the microscopic dynamics of the binary naming game. In particular, we show that a single external field, broadcasting information at regular time intervals, can reverse the majority opinion of the population, provided the frequency and the effectiveness of the sent messages lie above well-defined thresholds. We study the phase structure of the model in the mean field approximation and in numerical simulations with several network topologies. We also investigate the influence on the agent dynamics of two competing external fields, periodically broadcasting different messages. In finite regions of the parameter space we observe periodic equilibrium states in which the average opinion densities are reversed with respect to naive expectations. Such equilibria occur in two cases: (i) when the frequencies of the competing messages are different but close to each other; (ii) when the frequencies are equal and the relative time shift of the messages does not exceed half a period. We interpret the observed phenomena as a result of the interplay between the external fields and the internal dynamics of the agents and conclude that, depending on the model parameters, the naming game is consistent with scenarios of first- or second-mover advantage (to borrow an expression from the jargon of business strategy).
description: 46 pages, 31 figures. v2: version accepted for publication in Physical Review E
title: ADCO, Cartulaire de l'abbaye de Cîteaux dit Cartulare Antiquum t.3 (2e moitié XIIIe siècle), Cart. 168 (11 H 66), f. 0020v
Creators: name: de la Côte d'Or, Archives départementales
name: Petot, Frédéric
name: Archives Départementales De La Côte-D'Or
name: Petot, Frédérique
name: Projet CBMA
name: CG21/F.PETOT/2010
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020
Subjects: subject: LaMOP
subject: Laboratoire de Médiévistique Occidentale de Paris
subject: cartulaire
subject: Corpus Burgundiae Medii Aevi
subject: Chartes de la Bourgogne du Moyen Âge

description: Cartulaire de l'abbaye de Cîteaux dit Cartulare Antiquum t.3 (2e moitié XIIIe siècle), Archives départementales de la Côte-d'Or, Cart. 168 (11 H 66), f. 0020v, Numérisation en mode image.
description: Relation: http://www.cbma-project.eu/
description: Bibliographic citation: Cartulaire de l'abbaye de Cîteaux dit Cartulare Antiquum t.3 (2e moitié XIIIe siècle), Archives départementales de la Côte-d'Or, Cart. 168 (11 H 66), f. 0020v, in Projet CBMA - Corpus Burgundiae Medii Aevi [Ressource en ligne], https:// manuscrits.cbma-project.eu/
description: Provenance: https://www.geonames.org/3024876
description: Provenance: http://www.idref.fr/030974844/id
description: Provenance: https://catalogue.bnf.fr/ark:/12148/cb12228351v
description: Provenance: abbaye de Cîteaux
description: Provenance: http://www.wikidata.org/entity/Q843261
Additional file 3: of JNKi- and DAC-programmed mesenchymal stem/stromal cells from hESCs facilitate hematopoiesis and alleviate hind limb ischemia
Creators: name: Wei, Yimeng
name: Hou, Huixing
name: Zhang, Leisheng
name: Zhao, Nianhuan
name: Li, Chengwen
name: Huo, Jiali
name: Liu, Ying
name: Zhang, Wenxia
name: Li, Zongjin
name: Liu, Dengke
name: Han, Zhibo
name: Zhang, Lei
name: Song, Baoquan
name: Chi, Ying
name: Han, Zhongchao
Publisher: name: figshare
Year: 2019
Subjects: Space Science
Medicine
Cell Biology
Molecular Biology
Pharmacology
Developmental Biology
Hematology
Computational Biology

description: Figure S3. In vivo tissue and in vitro multi-lineage differentiation potential of hESC-MSCs. (PDF 348 kb)
Ultrasonic-Assisted Synthesis and Quantum Chemical Analysis of Spiro[Indoline-3,3′-Pyrazol]-2-One Derivatives as Effective Bactericidal and Viricidal Agents
Creators: name: Rizk, Sameh A.
name: Abdelwahab, Salwa S.
name: Abdo, Abdullah M.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology

description: The present work described a novel synthesis of spiro[indoline-3,3′-pyrazol]-2-one derivatives 2, 4, 5, and 7 via a one-pot reaction of chalcones or β-aroyl acrylic acid 1a–c, isatin, and hydrazine derivatives e.g. hydrazine hydrate, methyl hydrazine, phenylhydrazine or acetohydrazide in sonicated reaction condition. The unexpected product 1,3-oxazino[3,2-a]indol-10-yl-ethanone derivative 6 can be generated instead of N-acetyl spiro[indoline-3,3′-pyrazol]-2-one as desired. Also, the Spiropyrazole-fused furanone and pyridazinone ring can be made. Owing to their unique 3-dimensional structures, spirooxindoles have been found as lucky chemotypes for antiviral drug enhancement in an attempt to achieve these spiropyrazole derivatives 2–10 with hydrophobic groups. Furthermore, the density functional theory (DFT) was used to elucidate the electronic and structural features of spiropyrazole derivatives and their reactive species, which supports the proposed mechanism of antibacterial and antiviral capabilities.
title: IANUS am FiF und darüber hinaus: Die Bedeutung natur- und ingenieurwissenschaftlicher Friedensforschung für die TU Darmstadt
Creators: name: Nordmann, Alfred
name: Reuter, Christian
name: Lederer, Markus
name: Großmann, Andreas
name: Krebs, Heike
name: Wiemeyer, Josef
Publisher: name: Forum Interdisziplinäre Forschung
Year: 2022

description: IANUS steht seit 30 wechselhaften Jahren für natur- und ingenieurwissenschaftliche Friedensforschung im Austausch mit den Sozial- und Geisteswissenschaften. Seit Januar 2018 ist IANUS ein Teil des Forums interdisziplinäre Forschung. Das FiF stellt das Dach, unter dem einige Aspekte der bisherigen IANUS-Arbeit weitergeführt werden sollen. Insofern das FiF nicht selbst wissenschaftlich arbeitet oder ein inhaltliches Programm verfolgt, besteht das gemeinsame Dach in der administrativen Zusammenarbeit und dem Gedanken der Interdisziplinarität. Insofern IANUS von weitreichenderen Ambitionen geprägt ist, kann es unter dem gemeinsamen Dach derzeit nur auf sehr kleiner Flamme weiterarbeiten. Freilich ergeben sich andererseits auch neue Perspektiven. Und wenn sich diese Perspektiven fruchtbar entwickeln lassen, würde ein erneuertes IANUS wesentlich zur internationalen Sichtbarkeit des FiF als Ausweis einer verantwortungsbewussten Forschungskultur an der TU Darmstadt beitragen. Was war IANUS und wofür steht es? Was ist IANUS heute – was kann und will es? Was könnte ein erneuertes IANUS werden – wie kann sein friedenspolitisch ausgerichteter wissenschaftlicher Anspruch zukünftig für das FiF und die TU Darmstadt wirksam werden? Diesen drei Fragen wenden sich die folgenden Abschnitte zu – und feiern somit, was nach 10 Jahren FiF, 30 Jahren IANUS und 140 Jahren TH/TU Darmstadt im Wandel der Forschungskulturen möglich war, ist und wird.
Opening Up or Not? Iterative usability test and pilot study of a decision aid to support employees and students at a Dutch University in their decision whether to disclose their mental health issues
Creators: name: Brouwers, Sanne
name: Zijlstra, Daniëlle
name: Severijns, Yil
name: Gültzow, Thomas
name: Uil, Femke Den
Publisher: name: Open Science Framework
Year: 2023
Subjects: subject: Psychiatry and Psychology
subject: Psychology
subject: FOS: Psychology
subject: Mental and Social Health
subject: Social Psychology
subject: Public Health
subject: Health Psychology
subject: Medicine and Health Sciences
subject: Other Mental and Social Health
subject: Social and Behavioral Sciences
subject: Public Health Education and Promotion
subject: employees
subject: mental health
subject: students
subject: Decision aid
subject: mental health issues

description: An inclusive university strives to support all students and staff, including those with mental health issues. Mental health issues can affect mood, thinking, and behavior and impact daily life (World Health Organization, 2022). Next to these challenges, people with mental health issues must decide whether to disclose them in the university setting. This decision can be very complex, as people have to weigh the pros of disclosure against the cons of disclosure (van Beukering et al., 2022). Decision aids can support both university students and staff in this decision, as they are known to help users with complex decisions, especially those that involve pros and cons at the same time (Stacey et al., 2017). A first version of such a decision aid has been developed within a project that is currently being carried out within Maastricht University following a needs assessment among students and staff. The aim of this research is therefore to test and further develop this version. These results will be used to finalize the decision aid. This pre-registration applies specifically to this usability test and the pilot study as a sub-project within the larger project.
PIDs, Types and the Semantic Web
Creators: name: Schwardmann, Ulrich
Publisher: name: figshare
Year: 2018
Subjects: subject: 80403 Data Structures
subject: FOS: Computer and information sciences

description: PID Information Types are becoming a crucial role in scientific data management because they can provide state (what) and binding (where) information about digital objects as attributes of the PID. This is a similar but much more flexible approach than the well known mime type characterization, because both of these types concepts allow to decide about preconditions for processes in advance and before touching the data. One aspect of this is the need for standards and correctness of the used types to ensure reliability for the processes operating on the digital objects. This requires registries and schemas for PID InfoTypes and suggests an automated schema generation process. Such a process in combination with data type registries will be described in more detail in the intended talk. Another aspect of PID InfoTypes is its intrinsic grammar as subject-predicate-object triple, with the PID as subject, the type as predicate and its value (often again a PID) as object in this relation. Given the registration of types and the proposed syntactical rigidness of the value, guaranteed by the schema, together with the use of PIDs in subject and predicate, the type concept has the ability to overcome the fuzziness and lack of reliability of semantic web categories with its URL references and possibly changing locations and content. The intended talk will also describe this approach in more detail, discusses the differences to linked data and describes some necessary technological developments for the type concept to keep up with the possibilities currently provided by the semantic web.
Rational invariants of even ternary forms under the orthogonal group
Creators: name: Görlach, Paul
name: Hubert, Evelyne
name: Papadopoulo, Théo
Publisher: name: arXiv
Year: 2017
Subjects: subject: Symbolic Computation (cs.SC)
subject: FOS: Computer and information sciences
subject: 12Y05, 13A50, 13P25, 14Q99, 20B30, 33C55, 68W30

description: In this article we determine a generating set of rational invariants of minimal cardinality for the action of the orthogonal group $\mathrm{O}_3$ on the space $\mathbb{R}[x,y,z]_{2d}$ of ternary forms of even degree $2d$. The construction relies on two key ingredients: On one hand, the Slice Lemma allows us to reduce the problem to dermining the invariants for the action on a subspace of the finite subgroup $\mathrm{B}_3$ of signed permutations. On the other hand, our construction relies in a fundamental way on specific bases of harmonic polynomials. These bases provide maps with prescribed $\mathrm{B}_3$-equivariance properties. Our explicit construction of these bases should be relevant well beyond the scope of this paper. The expression of the $\mathrm{B}_3$-invariants can then be given in a compact form as the composition of two equivariant maps. Instead of providing (cumbersome) explicit expressions for the $\mathrm{O}_3$-invariants, we provide efficient algorithms for their evaluation and rewriting. We also use the constructed $\mathrm{B}_3$-invariants to determine the $\mathrm{O}_3$-orbit locus and provide an algorithm for the inverse problem of finding an element in $\mathbb{R}[x,y,z]_{2d}$ with prescribed values for its invariants. These are the computational issues relevant in brain imaging.
description: v3 Changes: Reworked presentation of Neuroimaging application, refinement of Definition 3.1. To appear in "Foundations of Computational Mathematics"
Micromechanics based framework with second-order damage tensors
Creators: name: Desmorat, Rodrigue
name: Desmorat, Boris
name: Olive, Marc
name: Kolev, Boris
Publisher: name: arXiv
Year: 2017
Subjects: subject: Classical Physics (physics.class-ph)
subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: The harmonic product of tensors---leading to the concept of harmonic factorization---has been defined in a previous work (Olive et al, 2017). In the practical case of 3D crack density measurements on thin or thick walled structures, this mathematical tool allows us to factorize the harmonic (irreducible) part of the fourth-order damage tensor as an harmonic square: an exact harmonic square in 2D, an harmonic square over the set of so-called mechanically accessible directions for measurements in the 3D case. The corresponding micro-mechanics framework based on second---instead of fourth---order damage tensors is derived. An illustrating example is provided showing how the proposed framework allows for the modeling of the so-called hydrostatic sensitivity up to high damage levels.
بحث سارقة الكتاب
Creators: name: زكريا،محمود شريف احمد
Publisher: name: Zenodo
Year: 2022
Subjects: الولع بسرقة الكتب؛ رواية سارقة الكتب؛ ماركوس زوساك؛ القراءة والكتابة؛ ألمانيا النازية (1933-1945)؛ الحرب العالمية الثانية (1939-1945)

description: تقوم هذه الدراسة على تحليل مضمون رواية "سارقة الكتب The Book Thief للكاتب الاسترالي ماركوس زوساك، حيث تدور أحداث الرواية في مدينة ميونخ الألمانية أبان فترة حكم الحزب الألماني النازي الذي يتزعمه أدولف هتلر (1933-1945)، حيث القيود المفروضة على قراءة الكتب، والدعوات النازية الجائرة إلى حرق الكتب غير الألمانية، فتظهر بطلة الرواية ليزيل ميمنجر التي لم تزل في سن المراهقة، لتجد نفسها مولعة بسرقة الكتب وحريصة على قراءتها، رغم أنها لم تعرف القراءة والكتابة، فتعمل على تطوير عاداتها القرائية والكتابية في نهاية القصة. استندت الدراسة إلى أسلوب تحليل المضمون، اعتمادا على هذه الرواية في طبعتها العربية الصادرة سنة 2018. هدفت الدراسة إلى التعرف على أهمية الرواية من وجهة نظر علم المكتبات والمعلومات، فضلاً عن تحديد دوافع بطلة الرواية نحو سرقة الكتب، وكيفية قيامها بالسرقة، وكيف تعلمت مهارات القراءة والكتابة، وما يتعلق بأبرز عاداتها القرائية، وماهية الرسائل التي أراد كاتب الرواية إيصالها إلى جمهور القراء . كشفت القراءة المتأنية لهذه الرواية أن بطلة الرواية قد سرقت بالفعل ستة كتب، بينما يفهم من أحداث الرواية ذاتها أنها تأثرت بنحو عشرة كتب مختلفة، كما أن أبرز دوافعها نحو سرقة الكتب كمنت في كل من: الدافع العاطفي، ودافع الغضب والكراهية، والدافع الانتقامي، ودافع الولع بقراءة الكتب. هرت النتائج أيضا أن العادات القرائية لبطلة الرواية تتمثل في: الحرص على القراءة والمطالعة، وتوثيق الكلمات والمفردات الجديدة، واتباع استراتيجية إعادة القراءة، والقراءة للغير بغرض التسلية والمواساة. أوصت الدراسة بضرورة تشجيع الدارسين في مجال المكتبات والمعلومات وأمناء المكتبات وأخصائي المعلومات على قراءة رواية "سارقة الكتب ؛ نظرا لأهميتها كعمل أدبي استثنائي، كما أوصت أيضا بأهمية تعزيز فكرة الإتاحة الحرة للمعرفة أمام القراء وتشجيعهم على تطوير عاداتهم القرائية في وقت بدت فيه التقنية غالبة على حياتنا اليومية، فأصبح من المهم حسن استثمار هذه التقنية في القراءة والمطالعة وكسب المعارف الجديدة.
Towards Complexity for Quantum Field Theory States
Creators: name: Chapman, Shira
name: Heller, Michal P.
name: Marrochio, Hugo
name: Pastawski, Fernando
Publisher: name: arXiv
Year: 2017
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: We investigate notions of complexity of states in continuous quantum-many body systems. We focus on Gaussian states which include ground states of free quantum field theories and their approximations encountered in the context of the continuous version of Multiscale Entanglement Renormalization Ansatz. Our proposal for quantifying state complexity is based on the Fubini-Study metric. It leads to counting the number of applications of each gate (infinitesimal generator) in the transformation, subject to a state-dependent metric. We minimize the defined complexity with respect to momentum preserving quadratic generators which form $\mathfrak{su}(1,1)$ algebras. On the manifold of Gaussian states generated by these operations the Fubini-Study metric factorizes into hyperbolic planes with minimal complexity circuits reducing to known geodesics. Despite working with quantum field theories far outside the regime where Einstein gravity duals exist, we find striking similarities between our results and holographic complexity proposals.
description: 6+7 pages, 6 appendices, 2 figures; v2: references added; acknowledgments expanded; appendix F added, reviewing similarities and differences with hep-th/1707.08570; v3: version published in PRL
Polariton chimeras: Bose-Einstein condensates with intrinsic chaoticity and spontaneous long-range ordering
Creators: name: Gavrilov, S. S.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Quantum Gases (cond-mat.quant-gas)
subject: Chaotic Dynamics (nlin.CD)
subject: FOS: Physical sciences

description: The system of cavity polaritons driven by a plane electromagnetic wave is found to undergo the spontaneous breaking of spatial symmetry, which results in a lifted phase locking with respect to the driving field and, consequently, in the possibility of internal ordering. In particular, periodic spin and intensity patterns arise in polariton wires; they exhibit strong long-range order and can serve as media for signal transmission. Such patterns have the properties of dynamical chimeras: they are formed spontaneously in perfectly homogeneous media and can be partially chaotic. The reported new mechanism of chimera formation requires neither time-delayed feedback loops nor non-local interactions.
Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, (HOMO-LUMO, NBO) Investigation, (RDG, AIM) Analysis, (MEP, NLO) Study and Molecular Docking of Ethyl-2-{[4-Ethyl-5-(Quinolin-8-yloxyMethyl)-4H-1,2,4-Triazol-3-yl] Sulfanyl} Acetate
Creators: name: Saidj, Merzouk
name: Djafri, Ahmed
name: Rahmani, Rachida
name: Belkafouf, Nour El Houda
name: Boukabcha, Nourdine
name: Djafri, Ayada
name: Chouaih, Abdelkader
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified

description: The spectroscopic characterization of the new synthesized heterocyclic aromatic organic compound ethyl −2-{[4-ethyl −5-(quinolin- 8-yloxymethyl) -4H- 1,2,4-triazol −3-yl] sulfanyl} acetate (abbreviated by Q-tsa) was carried out using experimental FTIR, UV–Vis, 1H, and 13C NMR techniques. To support the analytical results, theoretical calculations were performed on Q-tsa using DFT method associated with B3LYP functional with 6-31G(d,p) and 6-311G(d,p) basis sets. Furthermore, the reactivity of the title compound was studied by the investigation of frontier molecular orbitals (FMO) analysis, HOMO-LUMO energies, density of state (DOS), molecular electrostatic potential (MEP), global and local chemical reactivity descriptors. Thermodynamic properties were separately computed and discussed. The attractive, repulsive and van der Waals strong and weak interactions in Q-tsa were performed via RDG analysis followed by the investigation of topological properties via AIM theory. Similarly, the NLO activity of the studied compound was highlighted by computing the first hyperpolarizability in different available solvents. Finally, through molecular docking, the biological activity of Q-tsa was studied and discussed.
Metabolomics reveals the depletion of intracellular metabolites in HepG2 cells after treatment with gold nanoparticles
Creators: name: Lindeque, Jeremie Zander
name: Alnari Matthyser
name: Mason, Shayne
name: Roan Louw
name: Taute, Cornelius Johannes Francois
Publisher: name: Taylor & Francis
Year: 2018
Subjects: subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Cancer

description: Studies on the safety of gold nanoparticles (GNPs) are plentiful due to their successful application in drug delivery and treatment of diseases in trials. Cytotoxicity caused by GNPs has been studied on the physiological and biochemical level; yet, the effect of GNPs (particularly gold nano-spheres) on the metabolome of living organisms remains understudied. In this investigation, metabolomics was used to comprehensively study the metabolic alterations in HepG2 cells caused by GNPs; and to investigate the role of representative GNP coatings. GNPs were synthesized, coated and characterized before use on HepG2 cell cultures. Cells were treated for 3 h with citrate-, poly-(sodiumsterene sulfunate)-, and poly-vinylpyrrolidone (PVP)-capped GNPs, respectively. The internalization of the different GNPs and their effect on mitochondrial respiration and the metabolome were studied. Results indicated that the PVP-capped GNPs internalized more and also caused a more observable effect on the metabolome. Conversely, it was the citrate- and poly-(sodiumsterene sulfunate) coated particles that influenced ATP production in addition to the metabolomic changes. A holistic depletion of intracellular metabolites was observed regardless of GNP coating, which hints to the binding of certain metabolites to the particles.
Curriculum Domain Adaptation for Semantic Segmentation of Urban Scenes
Creators: name: Zhang, Yang
name: David, Philip
name: Gong, Boqing
Publisher: name: arXiv
Year: 2017
Subjects: subject: Computer Vision and Pattern Recognition (cs.CV)
subject: Machine Learning (cs.LG)
subject: FOS: Computer and information sciences

description: During the last half decade, convolutional neural networks (CNNs) have triumphed over semantic segmentation, which is one of the core tasks in many applications such as autonomous driving. However, to train CNNs requires a considerable amount of data, which is difficult to collect and laborious to annotate. Recent advances in computer graphics make it possible to train CNNs on photo-realistic synthetic imagery with computer-generated annotations. Despite this, the domain mismatch between the real images and the synthetic data cripples the models' performance. Hence, we propose a curriculum-style learning approach to minimize the domain gap in urban scenery semantic segmentation. The curriculum domain adaptation solves easy tasks first to infer necessary properties about the target domain; in particular, the first task is to learn global label distributions over images and local distributions over landmark superpixels. These are easy to estimate because images of urban scenes have strong idiosyncrasies (e.g., the size and spatial relations of buildings, streets, cars, etc.). We then train a segmentation network while regularizing its predictions in the target domain to follow those inferred properties. In experiments, our method outperforms the baselines on two datasets and two backbone networks. We also report extensive ablation studies about our approach.
description: This is the extended version of the ICCV 2017 paper "Curriculum Domain Adaptation for Semantic Segmentation of Urban Scenes" with additional GTA experiment
Additional Details of Methods and Results from What do participants think of our research practices? An examination of behavioural psychology participants' preferences
Creators: name: Bottesini, Julia
name: Rhemtulla, Mijke
name: Vazire, Simine
Publisher: name: The Royal Society
Year: 2022
Subjects: subject: 179999 Psychology and Cognitive Sciences not elsewhere classified
subject: FOS: Psychology

description: Additional Details of Methods and Results
Theory of $L$-edge spectroscopy of strongly correlated systems
Creators: name: Lüder, Johann
name: Schött, Johan
name: Brena, Barbara
name: Haverkort, Maurits W.
name: Thunström, Patrik
name: Eriksson, Olle
name: Sanyal, Biplab
name: Di Marco, Igor
name: Kvashnin, Yaroslav O.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: FOS: Physical sciences

description: X-ray absorption spectroscopy measured at the $L$-edge of transition metals (TMs) is a powerful element-selective tool providing direct information about the correlation effects in the $3d$ states. The theoretical modeling of the $2p\rightarrow3d$ excitation processes remains to be challenging for contemporary \textit{ab initio} electronic structure techniques, due to strong core-hole and multiplet effects influencing the spectra. In this work we present a realization of the method combining the density-functional theory with multiplet ligand field theory, proposed in Haverkort et al. (https://link.aps.org/doi/10.1103/PhysRevB.85.165113), Phys. Rev. B 85, 165113 (2012). In this approach a single-impurity Anderson model (SIAM) is constructed, with almost all parameters obtained from first principles, and then solved to obtain the spectra. In our implementation we adopt the language of the dynamical mean-field theory and utilize the local density of states and the hybridization function, projected onto TM $3d$ states, in order to construct the SIAM. The developed computational scheme is applied to calculate the $L$-edge spectra for several TM monoxides. A very good agreement between the theory and experiment is found for all studied systems. The effect of core-hole relaxation, hybridization discretization, possible extensions of the method as well as its limitations are discussed.
description: 8 figures
Bose-Hubbard lattice as a controllable environment for open quantum systems
Creators: name: Cosco, Francesco
name: Borrelli, Massimo
name: Mendoza-Arenas, Juan José
name: Plastina, Francesco
name: Jaksch, Dieter
name: Maniscalco, Sabrina
Publisher: name: arXiv
Year: 2017
Subjects: subject: Quantum Physics (quant-ph)
subject: Quantum Gases (cond-mat.quant-gas)
subject: FOS: Physical sciences

description: We investigate the open dynamics of an atomic impurity embedded in a one-dimensional Bose-Hubbard lattice. We derive the reduced evolution equation for the impurity and show that the Bose-Hubbard lattice behaves as a tunable engineered environment allowing to simulate both Markovian and non-Markovian dynamics in a controlled and experimentally realisable way. We demonstrate that the presence or absence of memory effects is a signature of the nature of the excitations induced by the impurity, being delocalized or localized in the two limiting cases of superfluid and Mott insulator, respectively. Furthermore, our findings show how the excitations supported in the two phases can be characterized as information carriers.
Synthesis and Biological Activity Evaluation of Some New Coumarin Derivatives as Potent Anticonvulsant and CNS-Depressant Agents
Creators: name: Al-Humaidi, Jehan Y.
name: Nayl, A. A.
name: Abdalla, Mohamed M.
name: Gomha, Sobhi M.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Molecular Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine

description: Triazolo-thiadiazines 4a–f and triazolo-tetrazines 8g–l were prepared from reaction of 3-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one with the respective hydrazonoyl halides 2a–f and 2g–l. Moreover, the reaction of the aminomercaptotriazole derivative with phenacyl bromide and ethyl 2-chloro-3-oxobutanoate followed by the coupling reaction of the products with benzenediazonium chloride yielded the corresponding products 4f and 8g, respectively. All of the newly prepared heterocyclic derivatives were determined using spectral data, elemental analysis, and alternate methods. The in-vivo anticonvulsant and CNS-depressant activities of all the prepared derivatives were tested using the maximal electroshock method and showed excellent activities, especially triazolo[4,3-b]tetrazine derivatives 8j, 8k, and 8l. Additionally, their structure–activity relationship was proven clearly, demonstrating that electron-releasing groups increase activities while electron-withdrawing groups lower them.
Harpegnathos
Creators: name: General, David Emmanuel M.
Publisher: name: Zenodo
Year: 2016
Subjects: Biodiversity
Taxonomy
Animalia
Arthropoda
Insecta
Hymenoptera
Formicidae
Harpegnathos

description: List of species of Harpegnathos known from the Philippines H. alperti sp. n. H. empesoi Chapman 1963 (examined) H. honestoi sp. n. H. macgregori Wheeler & Chapman, 1925 (examined) H. medioniger Donisthorpe, 1942 (based on the male; not seen) H. venator chapmani Donisthorpe, 1937 (not seen)
description: Published as part of David Emmanuel M. General, 2016, A review of the ant genus Harpegnathos Jerdon, 1851 (Hymenoptera: Formicidae) in the Philippines, with the description of two new species, pp. 99-105 in Halteres 7 on page 100, DOI: 10.5281/zenodo.269827
description: {"references": ["Chapman, J. W. 1963. Some new and interesting Philippine ants (Hymenoptera: Formicidae). Philippine Journal of Science 92: 247 - 263.", "Wheeler, W. M. and Chapman, J. W. 1925. The ants of the Philippine Islands. Part I, Dorylinae and Ponerinae. Philippine Journal of Science 28: 47 - 73.", "Donisthorpe, H. 1942. Descriptions of a few ants from the Philippine Islands, and a male of Polyrhachis bihamata Drury from India. Annals and Magazine of Natural History (11) 9: 64 - 72.", "Donisthorpe, H. 1937. A new species of Harpegnathos Jerd., with some remarks on the genus, and the other known species (Hym. Formicidae). Entomologist's Monthly Magazine 73: 196 - 201."]}
The computational study of the γ-Fe2O3 nanoparticle as Carmustine drug delivery system: DFT approach
Creators: name: Rabeeh Khorram
name: Heidar Raissi
name: Morsali, Ali
name: Shahabi, Mahnaz
Publisher: name: Taylor & Francis
Year: 2018
Subjects: subject: Biophysics
subject: Space Science
subject: Medicine
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Computational Biology

description: In the present study, it is attempted to scrutinize the properties of the maghemite nanoparticle as a Carmustine drug delivery system by means of the density functional theory calculations regarding their geometries, adsorption energies, vibrational frequencies, and topological features of the electron density. Based on the density functional theory results, it is found that the interaction between Carmustine drug molecule and maghemite nanoparticle is weak; so that, the adsorption of the Carmustine drug is typically physisorption. It is also found that the intermolecular hydrogen bonds between the drug and the nanoparticle play the significant role in the stability of the physisorption configurations. The nature of the intermolecular interactions has been explored by calculation of the electron densities and their Laplacian at the bond critical points using Atoms-in-Molecule theory. Moreover, natural bond orbital analysis indicates that the Carmustine molecule can be adsorbed on the nanoparticle surface with a charge transfer from the Carmustine drug to the nanoparticle.
title: ADCO, Cartulaire de Cîteaux pour les domaines de Saint-Jean de Losne et Losne (XVIIIe siècle), Cart. 198-01 (11 H 1055), 185 folios, f. 0379
Creators: name: de la Côte d'Or, Archives départementales
name: Petot, Frédéric
name: Archives Départementales De La Côte-D'Or
name: Petot, Frédérique
name: Projet CBMA
name: CG21/F.PETOT/2019
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020
Subjects: subject: cartulaire
subject: LaMOP
subject: Laboratoire de Médiévistique Occidentale de Paris
subject: Corpus Burgundiae Medii Aevi
subject: Chartes de la Bourgogne du Moyen Âge

description: Cartulaire de Cîteaux pour les domaines de Saint-Jean de Losne et Losne (XVIIIe siècle), Archives départementales de la Côte-d'Or, Cart. 198-01 (11 H 1055), 185 folios, f. 0379, Numérisation en mode image.
description: Relation: http://www.cbma-project.eu/
description: Bibliographic citation: Cartulaire de Cîteaux pour les domaines de Saint-Jean de Losne et Losne (XVIIIe siècle), Archives départementales de la Côte-d'Or, Cart. 198-01 (11 H 1055), 185 folios, f. 0379, in Projet CBMA - Corpus Burgundiae Medii Aevi [Ressource en ligne], https://manuscrits.cbma-project.eu/
description: Provenance: abbaye de Cîteaux
description: Provenance: http://www.wikidata.org/entity/Q843261
description: Provenance: https://www.geonames.org/3024876
description: Provenance: http://www.idref.fr/030974844/id
description: Provenance: https://catalogue.bnf.fr/ark:/12148/cb12228351v
One Pot Sequential Aldol condensation - Michael Addition – Sonogashira, and Heck Arylation toward Highly Functionalized Quinolines
Creators: name: Ubba, Eethamukkala
name: Khan, Fazlur-Rahman Nawaz
name: Teja, Chitrala
name: Dalavai, Ramesh
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Cell Biology
subject: Molecular Biology
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology

description: A facile Pd/Cu-cocatalyzed one-pot domino aldol condensation/Michael addition/Sonogashira coupling has been developed. The reaction of 2-chloro-3-formylquinolines (CFQs), 1 acetophenones (APs), 2 and terminal acetylenes, 3 by employing triethylamine as a base, solvent as well as a ligand under mild conditions gave highly functionalized 1,5-diphenyl-3-(2-(2-phenylethynyl)quinolin-3-yl)pentane-1,5-diones, 4a-j, Additionally accomplished Heck arylation using CFQs in the presence of Pd catalyst. The present methodology gave the desired synthetic building blocks in acceptable yields.
Feasability of constraining the curvature parameter of the symmetry energy using elliptic flow data
Creators: name: Cozma, M. D.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Nuclear Theory (nucl-th)
subject: FOS: Physical sciences

description: A QMD type transport model supplemented by a phase-space coalescence model fitted to FOPI experimental multiplicities of free nucleons and light clusters has been used to study the density dependence of the symmetry energy above the saturation point by a comparison with experimental elliptic flow ratios measured by the FOPI-LAND and ASYEOS collaborations in $^{197}$Au+$^{197}$Au collisions at 400 MeV/nucleon impact energy. A previous calculation has proven that neutron-to-proton and neutron-to-charged particles elliptic flow ratios probe on average different densities allowing in principle the extraction of both the slope $L$ and curvature $K_{sym}$ parameters of the symmetry energy. Consequently a Gogny interaction inspired potential has been modified to allow independent changes of $L$ and $K_{sym}$. Comparing theoretical predictions with experimental data for neutron-to-proton and neutron-to-charged particles elliptic flow ratios the following constraints have been extracted: $L$=85$\pm$22(exp)$\pm$20(th)$\pm$12(sys) MeV and $K_{sym}$=96$\pm$315(exp)$\pm$170(th)$\pm$166(sys) MeV. Residual model dependence is accounted for in the magnitude of the quoted theoretical error. Systematical uncertainties are generated by the inability of the transport model to reproduce experimental light-cluster-to-proton multiplicity ratios. A value for $L$, free of systematical theoretical uncertainties, can be extracted from the neutron-to-proton elliptic flow ratio alone: $L$=84$\pm$30(exp)$\pm$19(th) MeV. It has also been demonstrated that elliptic flow ratios reach a maximum sensitivity on the $K_{sym}$ parameter in heavy-ion collisions of about 250 MeV/nucleon impact energy, allowing a reduction of the experimental component of uncertainty to about 150 MeV for this parameter.
description: 22 pages, 13 figures
Figure 2 ESM: Reaction rates of the biochemical pathway example from A biomolecular proportional integral controller based on feedback regulations of protein level and activity
Creators: name: Mairet, Francis
Publisher: name: The Royal Society
Year: 2018
Subjects: subject: Physiology
subject: FOS: Biological sciences
subject: 60102 Bioinformatics
subject: FOS: Computer and information sciences
subject: 60114 Systems Biology
subject: 10202 Biological Mathematics
subject: FOS: Mathematics

description: A biochemical pathway regulated by an Integral controller (A), or by a LA-PI controller (B), see also Fig. 1 and 2. All the reaction rates used for simulations are shown on the figure. Model equations are given in Section 4.
Barrier Potential, Structure (Monomer and Dimer), Inter- and Intra-Molecular Interactions, Vibrational Analysis, Fukui Functions, MESP, NBO, UV and NMR Analysis of Pyridine-3-Carboxylic Acid Using Spectroscopic and DFT Approach
Creators: name: Ramesh, G.
name: Reddy, B. Venkatram
Publisher: name: Taylor & Francis
Year: 2022
Subjects: Biophysics
Biochemistry
Physical Sciences not elsewhere classified
Cell Biology
Pharmacology
Chemical Sciences not elsewhere classified

description: Pyridine-3-carboxylic (or nicotinic) (P3CA) acid has been recorded by using different spectroscopic tools like NMR (13C, 1H), UV–Vis, FT-IR and FT-Raman spectral analysis. The structural conformation examined by potential energy scan for the titled compound was obtained by using DFT computations through B3LYP method with 6–311++G(d,p) basis set. Using optimized monomer structure, the dimeric structures (head-to-tail and tail-to-tail) are obtained. The title compound exhibits inter-molecular as well as intra-molecular hydrogen bonding forming a supramolecular network. The geometrical parameters of both monomer and dimer are coinciding with the observed ones. Using vibrational frequencies, Infrared and Raman intensities were computed. The rms error between the experimental and scaled quantum mechanical frequencies is 9.77 cm−1 for P3CA. From the scaled quantum mechanical method, reliable vibrational assignments were made using PED. The site of chemical reactivity and selectivity of the title compound were estimated from frontier molecular orbitals and local reactivity descriptors. The reactive areas around the compound were evaluated by using MESP. The interactions of donor and acceptor are studied by NBO analysis. The 13C and 1H NMR chemical shifts of the title compound were determined using the gauge independent atomic orbital (GIAO) method in DMSO-d6 solution. By using UV–visible spectrum, the maximum absorption wavelength was obtained and compared with the TD-DFT method.
Dimensionality reduction of SDPs through sketching
Creators: name: Bluhm, Andreas
name: Franca, Daniel Stilck
Publisher: name: arXiv
Year: 2017
Subjects: subject: Optimization and Control (math.OC)
subject: Data Structures and Algorithms (cs.DS)
subject: FOS: Mathematics
subject: FOS: Computer and information sciences

description: We show how to sketch semidefinite programs (SDPs) using positive maps in order to reduce their dimension. More precisely, we use Johnson\hyp{}Lindenstrauss transforms to produce a smaller SDP whose solution preserves feasibility or approximates the value of the original problem with high probability. These techniques allow to improve both complexity and storage space requirements. They apply to problems in which the Schatten 1-norm of the matrices specifying the SDP and also of a solution to the problem is constant in the problem size. Furthermore, we provide some results which clarify the limitations of positive, linear sketches in this setting.
description: 15 pages. Significantly shortened and presentation streamlined
Figure 1 ESM: Performance of an integral feedback controller from A biomolecular proportional integral controller based on feedback regulations of protein level and activity
Creators: name: Mairet, Francis
Publisher: name: The Royal Society
Year: 2018
Subjects: subject: Physiology
subject: FOS: Biological sciences
subject: 60102 Bioinformatics
subject: FOS: Computer and information sciences
subject: 60114 Systems Biology
subject: 10202 Biological Mathematics
subject: FOS: Mathematics

description: Time response to a set-point step increase (black) of a first-order system with an integral feedback controller with low (yellow), medium (orange) or high (red) gain. A pure integral controller leads to either a slow response or oscillations, while a PI controller (green dash) can lead to fast regulation.
Non-Infringing Efficient One-Pot Process for the Preparation of Pure Entacapone
Creators: name: Sudrik, Vilas
name: Bodkhe, Arjun
name: Lawande, Shamrao
name: Suryawanshi, Manohar
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Genetics
subject: FOS: Biological sciences
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: A new and non-infringing efficient one-pot process for the preparation of catechol-O- methyltransferase (COMT) enzyme inhibitors, entacapone 1 under mild condition, initially reaction of 3-methoxy-4-hydroxy-5-nitro-benzaldehyde 5 with 2-cyano acetic acid 13 in presence of new organic base benzyl Trimethyl ammonium hydroxide, i.e. Triton-B which undergo Knoevenagel condensation to get intermediate 22 which is then react with SOCl2 to get chloride intermediate 23 and which undergo condensation with diethylamine to get 6 and finally deprotection in presence of HBr-AcOH to get economically efficient and industrially feasible entacapone 1 with higher purity and yield without isolation of any intermediate as compared to conventional batch wise process.
Coherent control of flexural vibrations in dual-nanoweb fibers using phase-modulated two-frequency light
Creators: name: Koehler, Johannes R.
name: Noskov, Roman E.
name: Sukhorukov, Andrey A.
name: Novoa, David
name: Russell, Philip St. J.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Optics (physics.optics)
subject: FOS: Physical sciences

description: Coherent control of the resonant response in spatially extended optomechanical structures is complicated by the fact that the optical drive is affected by the back-action from the generated phonons. Here we report a new approach to coherent control based on stimulated Raman-like scattering, in which the optical pressure can remain unaffected by the induced vibrations even in the regime of strong optomechanical interactions. We demonstrate experimentally coherent control of flexural vibrations simultaneously along the whole length of a dual-nanoweb fiber, by imprinting steps in the relative phase between the components of a two-frequency pump signal,the beat frequency being chosen to match a flexural resonance. Furthermore, sequential switching of the relative phase at time intervals shorter than the lifetime of the vibrations reduces their amplitude to a constant value that is fully adjustable by tuning the phase-modulation depth and switching rate. The results may trigger new developments in silicon photonics, since such coherent control uniquely decouples the amplitude of optomechanical oscillations from power-dependent thermal effects and nonlinear optical loss.
description: This 11 pages-long document includes the main text with 8 figures and an appendix with one figure
title: ADCO, Septième cartulaire de Saint-Étienne de Dijon (1661-1665), Cart. 29 (G 134), 996 folios, f. 0144
Creators: name: de la Côte d'Or, Archives départementales
name: Petot, Frédéric
name: Archives Départementales De La Côte-D'Or
name: Petot, Frédérique
name: Projet CBMA
name: CG21/F.PETOT/2012
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020
Subjects: subject: Chartes de la Bourgogne du Moyen Âge
subject: LaMOP
subject: Laboratoire de Médiévistique Occidentale de Paris
subject: cartulaire
subject: Corpus Burgundiae Medii Aevi

description: Septième cartulaire de Saint-Étienne de Dijon (1661-1665), Archives départementales de la Côte-d'Or, Cart. 29 (G 134), 996 folios, f. 0144, Numérisation en mode image.
description: Relation: http://www.cbma-project.eu/
description: Bibliographic citation: Septième cartulaire de Saint-Étienne de Dijon (1661-1665), Archives départementales de la Côte-d'Or, Cart. 29 (G 134), 996 folios, f. 0144, in Projet CBMA - Corpus Burgundiae Medii Aevi [Ressource en ligne], https://manuscrits.cbma-project.eu/
description: Provenance: abbaye Saint-Étienne de Dijon
description: Provenance: http://www.wikidata.org/entity/Q15945019
Investigation of Polycyclic Aromatic Hydrocarbons (PAHs) Uptake by Cucurbita pepo under Exhaust Gas Loading
Creators: name: Cihangir, Perihan
name: Durmus, Hafize
name: Tas, Birol
name: Cindoruk, S. Sıddık
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Plant Biology

description: It was aimed to compare the uptake of PAHs (Polycyclic aromatic hydrocarbon) by Cucurbita pepo fruits exposed to exhaust gas or not in a greenhouse chamber. Cucurbita pepo vegetable was grown in two greenhouses, which were formed as control group and experimental group. The experimental group greenhouse was regularly exposed to exhaust gas for a certain period, no intervention was made to the control group. PAHs were measured in grown Cucurbita pepo samples and indoor air of greenhouse by passive air sampler (PAS). The average ∑16PAH concentration in Cucurbita pepo in the experimental group (exposed to exhaust gas) was 191.5 ng/g, compared with 124.8 ng/g in the control group (not exposed). The nearness of the vegetable to exhaust gas source were effective on the PAH levels. A significantly positive relationship (p < 0.05) was observed in PAH concentration between Cucurbita pepo and indoor air. It was found that PAH levels measured in the Cucurbita pepo vegetable were increased in proportion to PAH exposure, but this amount tended to decrease in the Cucurbita pepo growing sufficiently. Benzo(a)pyrene had the highest toxic equivalence value in health risk assessment calculations. A negative effect of excess foliation on plant growth rather than fruit production was observed under exhaust gas exposure.