Indirect Characterization Research Articles

Association between Symptoms of Depression and Generalised Anxiety Disorder Evaluated through PHQ-9 and GAD-7 and Anti-Obesity Treatment in Polish Adult Women.

Obesity impacts mental health greatly. Psychological factors may influence the effectiveness of its treatment. This study aimed to compare symptoms of generalised anxiety disorder and depression among adult women across different weight categories. The study sample comprised 1105 adult women. The computer-assisted web interview (CAWI) utilising the seven-item Generalised Anxiety Disorders Scale (GAD-7) and the nine-item Patient Health Questionnaire (PHQ-9) was used. Both GAD-7 and PHQ-9 scores correlated positively with BMI (r = 0.121, p < 0.001 and r = 0.173, p < 0.001, respectively) and negatively with age (r = -0.106, p < 0.001 and r = -0.103, p < 0.001, respectively). Patients undergoing treatment with semaglutide scored lower for both anxiety symptoms (8.71 ± 6.16, p = 0.013) and depression symptoms (9.76 ± 6.37, p = 0.013). Women who underwent bariatric surgery screened less frequently for anxiety (8.03 ± 6.27, p = 0.002) but not for depression. An interdisciplinary approach involving mental health professionals within the therapeutic team can comprehensively address factors contributing to obesity development and treatment outcomes. Further investigation of semaglutide's use is needed due to the promising evidence suggesting a positive effect on decreasing the severity of depression and anxiety symptoms to assess the direct or indirect character of this influence.

Electronic and magnetic properties of Me-Graphene nanoribbons: A DFT investigation

In the search for semiconducting materials at the nanoscale, theoretical methods have been used to propose a series of nanocarbon sheets featuring a mixture of sp2 and sp3 hybridized carbon atoms, with Me-Graphene as one example. In addition to interesting physical properties shown by these 2D forms, nanoribbon variations of these structures can feature new properties. In this work, we show that the electronic properties of Me-Graphene nanoribbons can be modulated through structural details such as chirality, width, and edge details. Not only the metallic or semiconducting behavior can be switched by choosing selected geometries, but the direct or indirect character of the gap of the semiconducting cases can be triggered by selecting specific chiralities. In particular combinations of chirality and edge structure, we further point out that multiple spin-polarized states emerge, turning these systems into potential materials for spintronics.

Automatic Identification of Hate Speech - A Case-Study of alt-Right YouTube Videos.

Identifying hate speech (HS) is a central concern within online contexts. Current methods are insufficient for efficient preemptive HS identification. In this study, we present the results of an analysis of automatic HS identification applied to popular alt-right YouTube videos. This essay describes methodological challenges of automatic HS detection. The case study concerns data on a formative segment of contemporary radical right discourse. Our purpose is twofold. (1) To outline an interdisciplinary mixed-methods approach for using automated identification of HS. This bridges the gap between technical research on the one hand (such as machine learning, deep learning, and natural language processing, NLP) and traditional empirical research on the other. Regarding alt-right discourse and HS, we ask: (2) What are the challenges in identifying HS in popular alt-right YouTube videos? The results indicate that effective and consistent identification of HS communication necessitates qualitative interventions to avoid arbitrary or misleading applications. Binary approaches of hate/non-hate speech tend to force the rationale for designating content as HS. A context-sensitive qualitative approach can remedy this by bringing into focus the indirect character of these communications. The results should interest researchers within social sciences and the humanities adopting automatic sentiment analysis and for those analysing HS and radical right discourse. Automatic identification or moderation of HS cannot account for an evolving context of indirect signification. This study exemplifies a process whereby automatic hate speech identification could be utilised effectively. Several methodological steps are needed for a useful outcome, with both technical quantitative processing and qualitative analysis being vital to achieve meaningful results. With regard to the alt-right YouTube material, the main challenge is indirect framing. Identification demands orientation in the broader discursive context and the adaptation towards indirect expressions renders moderation and suppression ethically and legally precarious.

Excitons, optical spectra, and electronic properties of semiconducting Hf-based MXenes.

Semiconducting MXenes are an intriguing two-dimensional (2D) material class with promising electronic and optoelectronic properties. Here, we focused on recently prepared Hf-based MXenes, namely, Hf3C2O2 and Hf2CO2. Using the first-principles calculation and excited state corrections, we proved their dynamical stability, reconciled their semiconducting behavior, and obtained fundamental gaps by using the many-body GW method (indirect 1.1 and 2.2eV; direct 1.4 and 3.5eV). Using the Bethe-Salpeter equation, we subsequently provided optical gaps (0.9 and 2.7eV, respectively), exciton binding energies, absorption spectra, and other properties of excitons in both Hf-based MXenes. The indirect character of both 2D materials further allowed for a significant decrease of excitation energies by considering indirect excitons with exciton momentum along the Γ-M path in the Brillouin zone. The first bright excitons are strongly delocalized in real space while contributed by only a limited number of electron-hole pairs around the M point in the k-space from the valence and conduction band. A diverse range of excitonic states in Hf3C2O2 MXene lead to a 4% and 13% absorptance for the first and second peaks in the infrared region of absorption spectra, respectively. In contrast, a prominent 28% absorptance peak in the visible region appears in Hf2CO2 MXene. Results from radiative lifetime calculations indicate the promising potential of these materials in optoelectric devices requiring sustained and efficient exciton behavior.

Optoelectronic and thermoelectric properties of novel double halide perovskites Na2AgAsX6 (X = Cl, Br) for efficient green solar cells

Inorganic lead-free double halide perovskites have emerged as promising materials in photovoltaic and renewable energy applications. This study investigates the optoelectronic and thermoelectric properties of novel inorganic lead-free double halide perovskite Na2AgAsX6 (X = Cl, Br) materials using accurate PBEsol and nKTB-mBJ schemes within the powerful full potential linear augmented plane wave (FP-LAPW) method. Structural ground state parameters were optimized, and the structural stability of these materials was assessed by evaluating their formation energy, phonon frequencies, and tolerance factor. Analysis of the electronic structure reveals that Na2AgAsX6 exhibit an indirect gap character, with energy values of 2.0 (for Cl) and 1.29 eV (for Br). Additionally, we computed various optical properties including dielectric functions (ε1, ε2), absorption coefficient (α), refractive index (n), extinction coefficient (k), and reflectivity (R), demonstrating a broad absorption spectrum spanning from visible to ultraviolet wavelengths. Furthermore, the investigation extends to determine the electronic transport properties—Seebeck coefficient (S), electrical conductivity (σ/τ), power factor (PF), thermal conductivity (κe/τ), and figure of merit (ZT) for Na2AgAsX6 (X = Cl, Br), using BoltzTraP code. These findings underscore the substantial potential of Na2AgAsX6 (X = Cl, Br) halide perovskites as efficient light absorption layers in the development of high-performance perovskite solar cells (PCSs) and also hold promise for future eco-friendly thermoelectric generator applications.

Exploring optoelectronic and photocatalytic properties of X2AgBiY6 (X = NH4, PH4, AsH4, SbH4 and Y = Cl, Br): a DFT study.

Ab initio calculations have been used to investigate lead-free double-perovskites (DPs) X2AgBiY6 (X = NH4, PH4, AsH4, SbH4 and Y = Cl, Br) for solar-cell-based energy sources. The most recent and improved Becke-Johnson potential (TB-mBJ) has been proposed for the computation of optoelectronic properties. Theoretical and calculated values of the lattice constants obtained by applying the Wu-Cohen generalized gradient approximation (WC-GGA) were found to be in good agreement. The computed bandgap values of (NH4)2AgBiBr6 (1.574 eV) and (SbH4)2AgBiBr6 (1.440 eV) revealed their indirect character, demonstrating that they are suitable contenders for visible light solar-cell (SC) technology. Properties like the refractive index, light absorption, reflection, and dielectric constant are all explained in terms of the optical ranges. Within the wavelength range of 620-310 nm, the maximum absorption band has been identified. Additionally, we discover that all chemicals investigated herein have photocatalytic capabilities that can be used to efficiently produce hydrogen at cheap cost using solar water splitting by photocatalysts. In addition, the stability of the compounds was examined using the calculation of mechanical properties.

Pragmatic functions of evidentiality in the response judgments at a political interview

The article is devoted to the establishment of expression forms and the description of the pragmatic functions of evidentiality in the interviewed politician’s response discourse in the context of the official discussion. The research is aimed at identifying and analyzing the pragmatic specifics of evidentiality as the politician’s strategic tool in the interview, assuming a special evidence base in order to manipulate and convince the target audience. Based on a solid sample of fragments of an English-language political interview in which respondents raise current socio-economic problems, an original classification of the expression means and pragmatic functions of evidentiality is proposed in accordance with such parameters as the source of relevant information and the way of the everyday reality cognition. Relying on critical discourse analysis, the method of extracting and annotating evidential markers of the response judgment effectiveness, their subsequent quantitative and qualitative analysis, the description of various evidentiality types that underlie the interviewed politician’s ideological attitudes and the pragmatic functions of these types are given. It is established that in the format of reacting judgments, evidentiality functions as the consequence of the interviewed politician’s need in activating effective information sources that can be based on personal knowledge, well-known information about socio-economic reality and other sources. At the same time, the politician’s evidence base may be of direct, indirect and presumptive character. It is revealed that the interviewed politician to cover the ideological attitudes of his / her activities also uses evidentiality as it legitimizes one’s own judgments and delegitimizes alternative (opposite) opinions,. The interviewed politician’s evidence source base is characterized, which reflect ideological bias due to the coding of hypothetical assumptions about the authority of representatives of the political sphere, facts of reality, well-known information. The contexts are analyzed when the politician assumes responsibility for the publication of relevant information, resorting to the sources of information actually obtained and thereby strengthening the argumentation of the propositions put forward. The typology of the sources of the interviewed politician’s evidence base is proposed.

Point Defects in Buckled Honeycomb PAs Monolayer: A Systematic Study of Stability, Electronic, and Magnetic Properties

AbstractIn this work, the effects of point defects on the electronic and magnetic properties of PAs monolayer are investigated. PAs monolayer is stable in a buckled hexagonal structure, exhibiting indirect gap semiconductor character and is metallized under the presence of vacancies due to the dangling bonds around defect sites. Meanwhile, the non‐magnetic semiconductor character is preserved upon creating antisite defects with a negligible variation of the band gap. Significant magnetism as well as feature‐rich electronic properties are induced by p‐ and n‐type defects. Specifically, doping with Si and Ge atoms leads to the emergence of the magnetic semiconductor nature. In these cases, the total magnetic moment of 1 is obtained, where dopant atoms are mainly responsible for the magnetization. Besides, doping with Br induce the half‐metallic nature with a total magnetic moment of 2 , where magnetic properties are produced by the dopant and its neighbor due to the strong hybridization. In contrast, weak hybridization is the main reason for the absence of magnetism in the Cl‐doped PAs monolayer. Results presented herein introduce the creation of point defects in buckled semiconductor PAs monolayer as efficient functionalization approaches for optoelectronic and spintronic applications.

Theoretical study of the electronic and optical properties of ZnO/MgO rock salt superlattices

An analysis of some electronic and optical properties of rock salt (RS) ZnO/MgO superlattices related to potential applications in optoelectronics and electronics is carried out.In order to find possible light emission mechanisms, the electronic band structure, projected and k-resolved projected density of states and optical parameters such as the refractive index, reflection and absorption coefficients are calculated.We show that the bandgap of the RS ZnO/MgO superlattice is indirect for all considered thicknesses of quantum wells and barriers. Despite the indirect character of the bandgap, other features of the studied superlattice, such as the flat character of the top of the valence band and the bottom of the conduction band, combined with strong electron-phonon coupling and high exciton binding energy, may indicate the possibility of light emission similar to that in hexagonal BN.

Thermodynamic, optical, and morphological studies of the Cs2AgBiX6 double perovskites (X = Cl, Br, and I): Insights from DFT study

In contrast to Pb-based perovskites, Cs2AgBiX6 (X = Cl, Br, I) double silver-bismuth perovskites have unveiled a promising future for the advancement of low-risk solar energy due to their high durability and non-toxicity of their constituents. Despite the focus on the optoelectronic properties of Cs2AgBiX6 double perovskites, research into their structural properties behavior has been limited. So in this paper, we investigated in depth the cubic structure of Cs2AgBiX6 double perovskites. The newly acquired cubic phase is more in line with current experimental results in optoelectronic characteristics, exhibiting higher optical properties useful for optoelectronic device design. All three halide compounds exhibit an indirect band gap character due to the highly dispersive nature of the valence band maximum and conduction band minimum, resulting in reduced effective mass values, as well as the disordering of the Ag+ and Bi3+ cations in their sublattices. The thermodynamic potentials of phonon modes include enthalpy (H), free energy (F), entropy (S), and heat capacity (C). The optical and thermodynamic properties of pure Cs2AgBiCl6 and Cs2AgBiBr6 samples imply that they have promising qualities for optoelectronic and photovoltaic applications.

Theoretical study on the electronic properties and quantum capacitance ofZr2CO2MXenewith atomic swap

AbstractMXenes have the excellent electrochemical properties as electrode of supercapacitors. Using density functional theory, we investigated the electronic properties and quantum capacitance of Zr2CO2with atomic swap. The atomic swap results in the appearance of Frenkel‐type defect and Schottky defect. The negative binding energy confirms the stability of the studied systems. The atomic swap makes ZrC1, ZrC2, ZrO1, ZrO2, CO2 systems maintain the indirect semiconductor character, and CO2 system has the direct semiconductor character. The thermionic emission performance of Zr2CO2MXene is greatly improved by atomic swap. ZrO1 and ZrO2 systems in aqueous system are appropriate anode materials. The wide voltage has little effect on the electrode type for perfect Zr2CO2, ZrO1, ZrO2, CO1, and CO2 systems, but changes ZrC1 and ZrC2 systems from cathode material in aqueous system to anode material in ionic/organic system. The work function and effective mass are also explored.

Entkollektivierung: Zur Spannung von Individualität und Kollektivität in der Publikationsgeschichte der ‚Xenien‘

In recent years collaborations have increasingly gained attention amongst scholars in literary studies. Since they are a common, but often neglected phenomenon, the specific practices of writing together were the dominant focus of these studies. This paper outlines some of these practices that shaped the collaboration between Goethe and Schiller. It emphasizes at first the indirect character of the collaboration that led to the ‘Xenien’, published in Schiller’s ‘Musen-Almanach für das Jahr 1797’. Despite this remarkable cooperation that was mediated through letters and clean copies, the main interest of this paper is the afterlife of this collective that consisted at least of two authors and one work. While the practices of writing together end with the publication of the work, it is uncertain at which point the collective ceases to exist. The way Goethe and Schiller handled the intricate problem of integrating the collective work of the ‘Xenien’ in the individual editions of their complete works makes de-collectivating observable as a practice that is complementary to cooperative writing.

First-principles study of indium nitride monolayers doped with alkaline earth metals.

Element doping has been widely employed to modify the ground state properties of two-dimensional (2D) materials. In this work, the effects of doping with alkaline earth metals (AEMs) on the structural, electronic, and magnetic properties of indium nitride (InN) monolayers are investigated using first-principles calculations based on density functional theory. In a graphene-like honeycomb structure, the InN monolayer possesses good dynamical and thermal stability, and exhibits an indirect gap semiconductor character with a band gap of 0.37 (1.48) eV as determined by using the PBE(HSE06) functional. A single In vacancy leads to the emergence of a magnetic semiconductor character, where magnetic properties with a large total magnetic moment of 3.00 μB are produced mainly by the N atoms closest to the defect site. The incorporation of AEMs impurities causes local structural distortion due to the difference in atomic size, where Mg and Ca doping processes are energetically most favorable. Half-metallicity is induced by the partial occupancy of the N-2p orbital, which is a consequence of having one valence electron less. In these cases, the total magnetic moment of 1.00 μB mainly originates from N atoms neighboring the dopants. Further increasing the doping level preserves the half-metallic character, where N atoms play a key role on the magnetism of the highly doped systems. Results presented herein suggest the In replacement by AEMs impurities is an effective approach to make prospective spintronic 2D materials from InN monolayers.

Genetic Analysis in an F2 Population Derived from Indonesian Local Sorghum with New Superior Variety

Genetic analysis and inheritance patterns studies on agronomic and yield characters were required to develop a plant breeding program. This study aimed to obtain information on agronomic and yield performance, gene action, genetic diversity, and heritability in the F2 population derived from crosses of local and high-yielding varieties. The study was conducted in August-November 2021 in Dramaga, Bogor. The F2 sorghum population, female and male parents, and also ten check genotypes were used in this study. The results showed qualitative characters in the F2 population indicated the female parent trait was strongly inherited in F2. A few genes controlled the quantitative characters via additive gene action for days to flowering, plant height, stem diameter, leaf length, panicle length and diameter, also wet and dry panicle weight. Meanwhile, the leaf number and width, also grain weight per panicle were controlled by complementary epistasis. The wet and dry panicle weight had a significant positive correlation (0.9 and 0.95) with grain weight per panicle although there had low h2bs (0%). Panicle length and diameter could be used as indirect selection characters because of their significant positive correlation (0.67 and 0.7) to grain yield and high h2bs (90 and 80%).&#x0D; Keywords: gene action, local variety, productivity, variance

Exploring the ZrXO (X = S and Se) Janus Monolayers for Optoelectronic and Spintronic Applications

Recently, 2D Janus structures containing oxygen have attracted great attention from researchers. Herein, the ZrXO (X = S and Se) Janus monolayers are investigated using first‐principles calculations based on the projector augmented wave (PAW). ZrSO and ZrSeO single layers are dynamically and thermally stable, and exhibit the indirect gap semiconductor character with a bandgap of 1.91(2.88) and 1.09 (1.88) eV, respectively, as determined by the standard PBE (hybrid HSE06) functional. The charge transfer process from Zr atom to IVA‐atoms is confirmed by means of the charge density difference and Bader population analysis. Studied 2D materials exhibit good absorption in a wide energy range from visible to ultraviolet regimes with larger absorption coefficient reaching to the order of 105 cm−1. To magnetize the ZrXO monolayers for possible spintronic applications, fluorine (F) and chlorine (Cl) doping is proposed. Significant magnetic properties with total magnetic moments ≈1 μB are obtained. Besides, high spin polarization around the Fermi level is also induced as a result of the feature‐rich half‐metallic or magnetic semiconductor natures. Results presented herein introduce ZrSO and ZrSeO monolayers as prospective 2D materials to be applied high‐performance nano optoelectronic and spintronic devices.

An investigation on the stability, electronic, and optical properties of new MoSO–WSO lateral heterostructures

The successful synthesis of two-dimensional (2D) lateral heterostructures has created new promising architecture design in materials science and device physics. However, this materials group has received much less attention in comparison with the vertical heterostructures. Therefore, efforts should be made in order to explore more lateral heterostructures for practical applications. In this work, novel lateral heterostructures formed from MoSO and WSO monolayers are investigated. The AIMD simulations and phonon dispersion curves indicate their good stability once formed. Calculations assert their indirect gap semiconductor character, whose band gap is found between those of the pristine monolayers. The chemical bonds are predominantly ionic as results of the charge transfer from Mo-W atoms to S-O atoms, demonstrated by the electron localization function and Bader charge analysis. Nevertheless, the electronic hybridization may suggest also significant covalent character. The studied 2D materials exhibit good absorption properties with a wide absorption band spreading from visible regime to ultraviolet regime and large absorption coefficient of the order of 105/cm. Finally, the effects of different balanced and unbalanced numbers of building blocks on the formation process and electronic structure are also examined. Results presented herein may introduce new alternatives for the lateral heterostructures based on graphene and transition metal dichalcogenides, which may find potential applications in optoelectronic devices.

Electronic band structure of Bi5O7NO3 and its methyl orange removal mechanism

A detailed study of the electronic band structures and partial density of states of Bi5O7NO3 with different exchange correlation functionals was performed using the generalized gradient approximation. Bi5O7NO3 has two direct energy gap transitions of 2.84 and 3.66 eV at the experimental lattice parameters, revealing a semiconductor characteristic of a crystal. Molecular Mechanics; however, tends to underestimate the band-gap energies with indirect characters. This deviation is due to the slight decrease in the cell edges and the significant increase in the β angle during the optimization process. The mechanism of removal of methyl orange and its derivatives by the Bi5O7NO3 unit cell, which has the same experimental UV-Vis band gap, was later investigated through a DMol3 module. To do that, frontier molecular orbitals, global reactivity parameters, and electrostatic potential surface maps were evaluated. The high values of the electrophilicity indexes hint that the dyes are more reactive and can work as good electrophile species. A molecular packing of dye molecules and the ionic natural of Bi5O7NO3 generate a synergistic effect between π-π stacking, anion-π stacking, cation-π stacking and electrostatic interactions, which are thought to be the driven forces during dye removal.

Stress-Tuned Optical Transitions in Layered 1T-MX2 (M=Hf, Zr, Sn; X=S, Se) Crystals.

Optical measurements under externally applied stresses allow us to study the materials’ electronic structure by comparing the pressure evolution of optical peaks obtained from experiments and theoretical calculations. We examine the stress-induced changes in electronic structure for the thermodynamically stable 1T polytype of selected MX compounds (M=Hf, Zr, Sn; X=S, Se), using the density functional theory. We demonstrate that considered 1T-MX materials are semiconducting with indirect character of the band gap, irrespective to the employed pressure as predicted using modified Becke–Johnson potential. We determine energies of direct interband transitions between bands extrema and in band-nesting regions close to Fermi level. Generally, the studied transitions are optically active, exhibiting in-plane polarization of light. Finally, we quantify their energy trends under external hydrostatic, uniaxial, and biaxial stresses by determining the linear pressure coefficients. Generally, negative pressure coefficients are obtained implying the narrowing of the band gap. The semiconducting-to-metal transition are predicted under hydrostatic pressure. We discuss these trends in terms of orbital composition of involved electronic bands. In addition, we demonstrate that the measured pressure coefficients of HfS and HfSe absorption edges are in perfect agreement with our predictions. Comprehensive and easy-to-interpret tables containing the optical features are provided to form the basis for assignation of optical peaks in future measurements.

Physical world and its system-scale levels

The author shows that it is more and more difficult to obtain new objective data about the physical world. After all, modern scientific practice has an increasingly indirect character. We are increasingly moving away from our familiar realm of reality. Studying the microcosm, the scientist has to overcome ever greater challenges. In addition to the "instrumental mediation" of scientific knowledge, there is also a "theoretical mediation". The latter can be understood as all the growing theoretical constructions that describe the object under study. The materials presented in the article may be useful in the study of the discipline "Concepts of Modern Natural Science".

우크라이나 올리가르히의 정치적 영향력: 진화와 특징

The aim of this article is to analyze the processes in which the Ukrainian oligarchs have come to gain political influence and the characteristics that the Ukrainian oligarchs’ political influence has exhibited in these processes. The Ukrainian oligarchs’ political influence began to evolve since the late Soviet era and at first it was defensive against and dependent upon state power, but from the late 1990s it began to convert into powerful one that was exercised behind the scenes in formal politics. The Ukrainian oligarchs’ political influence reveals the following characteristics: initially its development was affected by the Soviet heritage; it has mediational, indirect and informal characters since the late 1990s; and it is based upon the oligarchs’ flexible coalition or connections formation.