Search results for "FUNCTIONAL"
showing 10 items of 4822 documents
Introduction
2014
Studying Ancient Greek offers new insights for linguistic theory. Thanks to the amount of available written data of a large corpus at our disposal, it is possible for a linguist to test hypotheses from modern theories in order to explain language phenomena, without disregarding a description according to methodologies adopted in traditional analyses of ancient languages. In particular, the morphological complexity of the Greek verb with its highly intricate inflectional system provide a valuable basis for an in-depth-analysis of the mechanisms which regulate the functioning of a language in the mind of the speaker. Crucially, in recent times also deductive methodologies adopted in the gener…
Finite-range separable pairing interaction within the new N3LO DFT approach
2011
For over four decades, the Skyrme functional within various parametrizations has been used to calculate nuclear properties. In the last few years there was a number of attempts to improve its performance and introduce generalized forms. In particular, the most general phenomenological quasi-local energy density functional, which contains all combinations of density, spin-density, and their derivatives up to the sixth order (N3LO), was proposed in [1]. Since in the phenomenological-functional approaches, the particle-particle (pp) channel is treated independently of the particle-hole (ph) channel, there remains a question of what pairing interaction is suitable to use within the N3LO energy …
The Value of Auditor Industry Specialization: Evidence from a Structural Model
2021
ABSTRACT This study investigates the value of auditor industry specialization. In the first step, we use a discrete choice model to derive the first-order demand for auditor industry specialization. Our results reveal that clients have a general preference for auditor industry specialization, relating to both audit firm and audit office specialization. We observe that specializations at the audit firm and audit office level are substitutes. We also find that larger, more complex clients have a stronger demand for industry specialization at the audit office level. In the second step, we use the results from the discrete choice model to quantify the value of auditor industry specialists for c…
Theoretical investigations of nitrogen doping on Co 3 O 4 for water dissociation catalytically activity
2018
We report the results of theoretical investigations of nitrogen doping on Co 3 O 4 (100) bulk by means of the plane-wave periodic density functional theory (DFT) calculations combined with the Hubbard-U approach and statistical thermodynamics.Using accurate DFT+U calculations, we have shown that bulk Co ions denote charges in value 0.017 - 0.57e. For further water adsorption process studies was selected structures with most changes in charges in Co ions: (3) structure for n = 25%, (2) structure forn = 12.5% and structure for (1) structure.
Basics of doubly heavy tetraquarks
2018
We outline the most important results regarding the stability of doubly heavy tetraquarks $QQ\bar q\bar q$ with an adequate treatment of the four-body dynamics. We consider both color-mixing and spin-dependent effects. Our results are straightforwardly applied to the case of all-heavy tetraquarks $QQ\bar Q\bar Q$. We conclude that the stability is favored in the limit $M_Q/m_q \gg 1$ pointing to the stability of the $bb\bar u\bar d$ state and the instability of all-heavy tetraquarks.
Interpretation of the U L3-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations
2016
X-ray absorption spectroscopy is employed to study the local structure of pure and Cr-doped UO2 at 300 K. The U L3-edge EXAFS spectrum is interpreted within the multiplescattering (MS) theory using the results of the classical and ab initio molecular dynamics simulations, allowing us to validate the accuracy of theoretical models. The Cr K-edge XANES is simulated within the full-multiple-scattering formalism considering a substitutional model (Cr at U site). It is shown that both unrelaxed and relaxed structures, produced by ab initio density functional theory (DFT) calculations, fail to describe the experiment.
Evolutionary conservation and function of the human embryonic stem cell specific miR-302/367 cluster
2015
miRNA clusters define a group of related miRNAs closely localized in the genome with an evolution that remains poorly understood. The miR-302/367 cluster represents a single polycistronic transcript that produces five precursor miRNAs. The cluster is highly expressed and essential for maintenance of human embryonic stem cells. We found the cluster to be highly conserved and present in most mammals. In primates, seed sequence and miRNA structure are conserved, but inter-precursor sequences are evolving. Insertions of new miRNAs, deletions of individual miRNAs, and a cluster duplication observed in different species suggest an actively evolving cluster. Core transcriptional machinery consisti…
Effect of primary mild stresses on resilience and resistance of the nitrate reducer community to a subsequent severe stress
2008
International audience; The factors regulating soil microbial stability (e.g. resistance and resilience) are poorly understood, even though microorganisms are essential for ecosystem functioning. In this study, we tested whether a functional microbial community subjected to different primary mild stresses was equally resistant or resilient to a subsequent severe stress. The nitrate reducers were selected as model community and analysed in terms of nitrate reduction rates and genetic structure by narG PCR-restriction fragment length polymorphism fingerprinting. Heat, copper and atrazine were used as primary stresses and mercury at a high concentration as a severe stress. None of the primary …
The Complex Regulatory Role of Cytomegalovirus Nuclear Egress Protein pUL50 in the Production of Infectious Virus
2021
The regulation of the nucleocytoplasmic release of herpesviral capsids is defined by the process of nuclear egress. Due to their large size, nuclear capsids are unable to traverse via nuclear pores, so that herpesviruses evolved to develop a vesicular transport pathway mediating their transition through both leaflets of the nuclear membrane. This process involves regulatory proteins, which support the local distortion of the nuclear envelope. For human cytomegalovirus (HCMV), the nuclear egress complex (NEC) is determined by the pUL50-pUL53 core that initiates multicomponent assembly with NEC-associated proteins and capsids. Hereby, pUL50 serves as a multi-interacting determinant that recru…
Computer Mediated Communication and Collaboration in a Virtual Learning Environment Based on a Multi-agent System with Wasp-Like Behavior
2008
In this paper is presented a model for an adaptive multi-agent system for dynamic routing of the grants' activities from a learning environment, based on the adaptive wasp colonies behavior. The agents use wasp task allocation behavior, combined with a model of wasp dominance hierarchy formation. The model we introduced allows the assignment of activities in a grant, taking into account the specialization of students, their experience and the complexity of activities already taken. An adaptive method allows students to enter in the Grant system for the first time. The system is changing dynamic, because both the type of activities and the students involved in the system change. Our approach…