Disorder Phenomena Research Articles

Particle regeneration technique for Smoothed Particle Hydrodynamics in simulation of compressible multiphase flows

In this work, a particle regeneration technique is developed for Smoothed Particle Hydrodynamics (SPH). In traditional SPH, the particle disorder phenomenon will occur when dealing with the strongly compressible flow problem. To solve this, in the present work, uniformly distributed background particles filled in the computational domain are adopted. The particle regeneration technique is that the fluid particles replaced by the background particles when the fluid density changes to a specific limitation. The fluid variables of the background particles are approximated by the fluid variables of the initial particles in their support domain. For the multiphase flow, the multiphase interface is calculated by an interface reproducing algorithm, in which, we defined an indicator variable, and set the indicator value discontinuity between different materials. By setting the threshold value, the multiphase interface is reconstructed. Meanwhile, the momentum equation for the Riemann SPH is modified to eliminate the instability in the light phase. Several numerical examples are studied to verify the present algorithm.

Intrusive imagery in anxiety disorders in adolescents.

Mental imagery plays an important role in models of anxiety disorders in adults. This understanding rests on qualitative and quantitative studies. Qualitative studies of imagery in anxious adolescents have not been reported in the literature. To address this gap, we aimed to explore adolescents' experiences of spontaneous imagery in the context of anxiety disorders. We conducted one-to-one semi-structured interviews, with 13 adolescents aged 13-17 years with a DSM-5 anxiety disorder, regarding their experiences of spontaneous imagery. We analysed participants' responses using thematic analysis. We identified five superordinate themes relating to adolescents' influences on images, distractions from images, controllability of images, emotional responses to imagery and contextual influences on imagery. Our findings suggest that spontaneous images are an important phenomenon in anxiety disorders in adolescents, associated with negative emotions during and after their occurrence. Contextual factors and adolescents' own cognitive styles appear to influence adolescents' experiences of images in anxiety disorders.

Study on the structural phase transitions in NaSICON-type compounds using Ag3Sc2(PO4)3 as a model system

NaSICON (Na Super-Ionic CONducting) structured materials are among the most promising solid electrolytes for Li-ion batteries and `beyond Li-ion' batteries (e.g. Na and K) due to their superior ionic conductivities. Although this material has been well known for decades, its exact phase behaviour is still poorly understood. Herein, a starting material of Na3Sc2(PO4)3 single crystals is used, grown by flux methodology, where Na is subsequently chemically replaced by Ag, in order to take advantage of the higher scattering contrast of Ag. It is found that the NaSICON-type compound shows two phase transitions from a low-temperature monoclinic α-phase to a monoclinic β-phase at about 180 K and to a rhombohedral γ-phase at about 290 K. The framework of [Sc2(PO4)3]3− is rigid and does not change significantly with temperature and change of symmetry. The main driving force for the phase transitions is related to order–disorder phenomena of the conducting cations. The sensitivity of the phase behaviour on the ordering of these ions suggests that small compositional changes can have a great impact on the phase behaviour and, hence, on the ionic conductivity of NaSICON-structured materials.

Investigation of Rare-Earth Chalcogenide Spinel for Mg Solid State Conductors

Magnesium batteries hold potential for overcoming the safety and energy density limitations faced by Li-ion batteries. However, the development of Mg battery technology is plagued by the poor kinetics of Mg transport in solid state materials. Recently, the chalcogenide spinel structure was found to be suitable for rapid Mg2+ diffusion.[1] Based on this result we engaged in a more elaborate study of chalcogenide spinels. Seven stable MgLn2X4 (Ln = lanthanoid, X = S, Se) spinels were evaluated with density functional theory to have low barriers for Mg migration (<380 meV) and reasonable stability. Two of these materials have been synthesized and studied experimentally. We will show how the conductivity can be systematically improved by judicious choice of metal ions. In particular, the effect of large rare-earth cations on expanding the triangular anion bottleneck to reduce the migration barrier and the structure disorder phenomenon will be discussed.Reference: [1] Canepa, P., Bo, S., Sai Gautam, G. et al. High magnesium mobility in ternary spinel chalcogenides. Nat. Commun. 8, 1759 (2017).

The potential LXRβ agonist stigmasterol protects against hypoxia/reoxygenation injury by modulating mitophagy in primary hippocampal neurons

BackgroundNeuronal excitotoxicity induces a plethora of downstream signaling pathways, resulting in the calcium overload-induced excitotoxic cell death, a well-known phenomenon in cerebrovascular and neurodegenerative disorders. The naturally occurring phytosterol, stigmasterol (ST) is known for its potential role in cholesterol homeostasis and neuronal development. However, the ability of ST to protect against the induced excitotoxicity in hippocampal neurons has not been investigated yet. PurposeThe present study aimed to investigate whether ST could protect against hypoxia/reoxygenation (H/R)-induced excitotoxicity in hippocampal neurons. MethodsAfter H/R, neurons were initially subjected to trypan blue exclusion assay for the assessment of cell viability. Live staining using fluorescence dyes namely JC-1 (5,5’,6,6’-tetrachloro-1,1’,3,3’-tetraethylbenzimidazolyl-carbocyanine iodide), DCFDA (2′,7′–dichlorofluorescein diacetate) and FM1-43 (N-(3-triethylammoniumpropyl)−4-(4-(dibutylamino)styryl) were used to measure MMP, ROS and synaptic vesicle pool size. Immunostaining was performed to analyze the expression levels of vesicular glutamate transporter 1 (VGLUT1), N-methyl-D-acetate receptor subunit 2B (GluN2B), LC3BII, p62, and PTEN induced protein kinase 1 (PINK1) in neuron after H/R. Western blotting was carried out to measure the protein expression of GluN2B. The molecular dynamics simulation was employed to elucidate the LXRβ agonistic conformation of ST. ResultPre-incubation of neuronal cultures with ST (20 μM) protected against excitotoxicity, and attenuated reactive oxygen species (ROS) generation, double-stranded DNA break, and mitochondrial membrane potential (MMP) loss. ST treatment also resulted in the downregulation of the expressions of VGLUT1 and GluN2B and the reduction of the size of recyclable synaptic vesicle (SV) pool. Like LXRβ agonist GW3695, ST suppressed the expression of GluN2B. Furthermore, ST induced mitophagy through upregulating the expressions of LC3BII, p62, and PINK1. The molecular simulation study showed that ST interacted with the ligand binding domain of liver X receptor β (LXRβ), a known binding receptor of ST, through multiple hydrogen bonding. ConclusionCollectively, these findings revealed that ST exhibited a promising neuroprotective effect by regulating both pre- and post-synaptic events following H/R, particularly, attenuation of GluN2B-mediated excitotoxicity and oxidative stress, and induction of mitophagy, and suggested that ST might be a therapeutic promise against ischemic stroke and its associated neurological disorders.

Disorder effects in nitride semiconductors: impact on fundamental and device properties

AbstractSemiconductor structures used for fundamental or device applications most often incorporate alloy materials. In “usual” or “common” III–V alloys, based on the InGaAsP or InGaAlAs material systems, the effects of compositional disorder on the electronic properties can be treated in a perturbative approach. This is not the case in the more recent nitride-based GaInAlN alloys, where the potential changes associated with the various atoms induce strong localization effects, which cannot be described perturbatively. Since the early studies of these materials and devices, disorder effects have indeed been identified to play a major role in their properties. Although many studies have been performed on the structural characterization of materials, on intrinsic electronic localization properties, and on the impact of disorder on device operation, there are still many open questions on all these topics. Taking disorder into account also leads to unmanageable problems in simulations. As a prerequisite to address material and device simulations, a critical examination of experiments must be considered to ensure that one measures intrinsic parameters as these materials are difficult to grow with low defect densities. A specific property of nitride semiconductors that can obscure intrinsic properties is the strong spontaneous and piezoelectric fields. We outline in this review the remaining challenges faced when attempting to fully describe nitride-based material systems, taking the examples of LEDs. The objectives of a better understanding of disorder phenomena are to explain the hidden phenomena often forcing one to use ad hoc parameters, or additional poorly defined concepts, to make simulations agree with experiments. Finally, we describe a novel simulation tool based on a mathematical breakthrough to solve the Schrödinger equation in disordered potentials that facilitates 3D simulations that include alloy disorder.

Assessment of sleep disorders and use of psychoactive drugs among Polish students.

Sleep disorders in the form of insomnia or excessive daytime sleepiness have their health and social consequences. The aim of the study was to evaluate the frequency of sleep disorders, quality of life and the pattern of psychoactive substance use among the students of Polish universities using CAVI method. The Athens Insomnia Scale, the Epworth Sleepiness Scale, and the Manchester Short Assessment of Quality of Life were used. The study was conducted using anonymous and voluntary questionnaires distributed via the Internet. Most of the respondents (N = 5,342) were women (74%). A high percentage (>51%) of sleep disorders was found in women. Daytime sleepiness occurred in 28% of respondents, which correlated with sleep disorders. The use of psychoactive drugs is very common (94%) among Polish students of both sexes and (apart from alcohol) significantly affects the quality of life (p = 0.000). In the assessment of the psychoactive substance use pattern, the students of medical universities only slightly differ from students of other majors. The quality of life of people affected by sleep disorders is much lower than of the healthy student population. The great scale of the sleep disorder phenomenon and the use of psychoactive substances among Polish students require further exploration with particular emphasis on preventive and therapeutic activities.

Práticas de literacia da informação em tempos de infodemia semiótica

Em uma era em que a informação é disponibilizada essencialmente em meios digitais, em que a leitura ocorre sobretudo em plataformas virtuais e em que leitores e escritores encontram-se globalmente conectados, o presente artigo evoca o conceito de literacia da informação. Para tanto, apresentam-se os conceitos de alfabetização, letramento e literacia, propostos por Lemos (2002), Pinto (2008) e Soares (2010). Posteriormente, contextualiza-se o fenômeno da desordem informacional, que conduz a um estado de infodemia semiótica. O fenômeno é ilustrado a partir da análise de notícias relacionadas à eclosão, no Brasil, do novo coronavírus, causador da COVID-19, no mês de março de 2020. Aponta-se para a necessidade de promoção de iniciativas voltadas ao desenvol-vimento de competências que contribuam para a consolidação de práticas de literacia da informação, destinadas especialmente a professores e estudantes.

Half-Heusler Structures with Full-Heusler Counterparts: Machine-Learning Predictions and Experimental Validation

Heusler compounds form a diverse group of intermetallic materials encompassing many compositions and structures derived from cubic prototypes, and exhibiting complicated types of disorder phenomena...

Intrinsic disorder perspective of an interplay between the renin-angiotensin-aldosterone system and SARS-CoV-2.

The novel severe acute respiratory syndrome (SARS) coronavirus SARS-CoV-2 walks the planet causing the rapid spread of the CoV disease 2019 (COVID-19) that has especially deleterious consequences for the patients with underlying cardiovascular diseases (CVDs). Entry of the SARS-CoV-2 into the host cell involves interaction of the virus (via the receptor-binding domain (RBD) of its spike glycoprotein) with the membrane-bound form of angiotensin-converting enzyme 2 (ACE2) followed by the virus-ACE2 complex internalization by the cell. Since ACE2 is expressed in various tissues, such as brain, gut, heart, kidney, and lung, and since these organs represent obvious targets for the SARS-CoV-2 infection, therapeutic approaches were developed to either inhibit ACE2 or reduce its expression as a means of prevention of the virus entry into the corresponding host cells. The problem here is that in addition to be a receptor for the SARS-CoV-2 entry into the host cells, ACE2 acts as a key component of the renin-angiotensin-aldosterone system (RAAS) aimed at the generation of a cascade of vasoactive peptides coordinating several physiological processes. In RAAS, ACE2 degrades angiotensin II, which is a multifunctional CVD-promoting peptide hormone and converts it to a heptapeptide angiotensin-(1–7) acting as the angiotensin II antagonist. As protein multifunctionality is commonly associated with the presence of flexible or disordered regions, we analyze here the intrinsic disorder predisposition of major players related to the SARS-CoV-2 – RAAS axis. We show that all considered proteins contain intrinsically disordered regions that might have specific functions. Since intrinsic disorder might play a role in the functionality of query proteins and be related to the COVID-19 pathogenesis, this work represents an important disorder-based outlook of an interplay between the renin-angiotensin-aldosterone system and SARS-CoV-2. It also suggests that consideration of the intrinsic disorder phenomenon should be added to the modern arsenal of means for drug development.

MEAM-based MD calculations of melting temperature for Fe.

The molecular dynamics (MD) simulations were applied to the melting transition of the BCC metal Fe using the modified embedded atom method (MEAM) potential proposed by Jin et al. [Appl. Phys. A120 (2015) 189], and the newly derived formulas were adopted to calculate the forces acting on atoms in the MD simulations. We first determined the structural and energetic properties of the effectively infinite solid with no boundaries, and then investigated the Fe samples with low-index surfaces, namely Fe(100), Fe(110), and Fe(111). The simulations show that as the temperature increases, the (111) surface firstly disorders, followed by the (100) surface, while the (110) surface remains stable up to the melting temperature. The disorder phenomenon diffuses from the surface to the entire block, and as the density of atoms on the surface decreases, the effect of the premelting phenomenon also increases, being most pronounced on Fe(111) which has the lowest surface density. This conclusion is in line with the behavior found for BCC metal V in the previous simulation study.

Reactivity of Cyanide and Thiocyanate Towards the Nitrosyl Carbonyl [Co(CO)3(NO)

The reaction of equimolar amounts of [Co(CO)3(NO)] and [PPN]CN, PPN+ = (PPh3)2N+, in THF at room temperature resulted in ligand substitution of a carbonyl towards the cyanido ligand presumably affording the complex salt PPN[Co(CO)2(NO)(CN)] as a reactive intermediate species which could not be isolated. Applying the synthetic protocol using the nitrosyl carbonyl in excess, the title reaction afforded unexpectedly the novel complex salt PPN[Co2(μ‐CN)(CO)4(NO)2] (1) in high yield. Because of many disorder phenomena in crystals of 1 the corresponding NBu4+ salt of 1 has been prepared and the molecular structure of the dinuclear metal core in NnBu4[Co2(μ‐CN)(CO)4(NO)2] (2) was determined by X‐ray crystal diffraction in a more satisfactory manner. In contrast to the former result, the reaction of [PPN]SCN with [Co(CO)3(NO)] yielded the mononuclear complex salt PPN[Co(CO)2(NO)(SCN‐κN)] (3) in good yield whose molecular structure in the solid was even determined and its composition additionally confirmed by spectroscopic means.

Dreaming and Insomnia: Link between Physiological REM Parameters and Mentation Characteristics.

(1) Background: An unresolved phenomenon of insomnia disorder is a discrepancy between objectively measured sleep and subjective complaints. It has been shown that rapid eye movement (REM) sleep might be especially vulnerable to an altered perception. The present work aimed to investigate the link between physiological REM parameters and mentation characteristics in REM sleep. (2) Methods: 22 patients with insomnia and 23 good sleepers indicating at least one REM mentation within an awakening study were included. Multivariate analyses of variance (MANOVAs) were calculated to examine group differences and effects of mentation characteristics on number of arousals, REM density, and spectral power prior to awakenings. (3) Results: Increased perceived wakefulness was related to lower delta, theta, and alpha power in the minute prior to the REM awakenings. Nevertheless, no group differences regarding spectral power were found. With respect to number of arousals and REM density, no significant effects of mentation characteristics and no group differences were found. (4) Conclusions: Our results suggest that spectral power in REM sleep is linked with altered sleep perception. Reduced delta, theta, and alpha power might be a signature of this modified REM sleep associated with a high level of perceived wakefulness. Future awakening studies are necessary to further explore the link between physiological REM parameters and sleep perception.

Electrical transport properties of bulk tetragonal CuMnAs

Temperature-dependent resistivity and magnetoresistance are measured in bulk tetragonal phase of antiferromagnetic CuMnAs and the latter is found to be anisotropic both due to structure and magnetic order. We compare these findings to model calculations with chemical disorder and finite-temperature phenomena included. The finite-temperature ab initio calculations are based on the alloy analogy model implemented within the coherent potential approximation and the results are in fair agreement with experimental data. Regarding the anisotropic magnetoresistance (AMR) which reaches a modest magnitude of 0.12%, we phenomenologically employ the Stoner-Wohlfarth model to identify temperature-dependent magnetic anisotropy of our samples and conclude that the field-dependence of AMR is more similar to that of antiferromagnets than ferromagnets, suggesting that the origin of AMR is not related to isolated Mn magnetic moments.

Effects of High-Fat Diet on Steatosis, Endoplasmic Reticulum Stress and Autophagy in Liver of Tilapia (Oreochromis niloticus)

Hepatic steatosis is the most common phenomenon of lipid metabolism disorder in farmed fish, but its molecular mechanism is poorly understood. Therefore, the present study was aimed to investigate steatosis induced by high-fat diet (HFD) and explore underlying mechanism in tilapia. The fish were fed on control diet or HFD for 90 days. The blood and liver tissues were collected to determine biochemical parameters, genes expression and proteins level after 30, 60 and 90 days and analyzed lipid accumulation, endoplasmic reticulum (ER) stress and autophagy. After 30 days of feeding, the plasma and hepatic lipid content (TG, TCH, LDL-C and HDL-C) and fatty acids (FAs) transportation (fabp1 and CD36) were enhanced significantly in HFD-fed tilapia. After 60 days, the lipid metabolism disorder, such as increase of TG synthesis and free CH formation, and decrease of FAs β-oxidation and biosynthesis, was observed in liver of HFD-fed tilapia. Further, with increasing lipid accumulation, ER stress was induced and worsen hepatic steatosis via activating IRE1 signaling pathway in liver of HFD group after 90 days. Meanwhile, the autophagy was suppressed via impairing AMPK and BFET pathways in HFD-fed tilapia liver after 90 days. Our results demonstrated that HFD feeding induced extensive lipid deposition, promoted ER stress, suppressed autophagy in tilapia liver. Interestingly, these pathological features were positively correlated with the duration of HFD feeding.

Associations between Dependency Behavior and Management Ability in a Cross-Sectional Study of Mother who Care for Children with Avoidant Restrictive Food Intake Disorder

ARFID phenomena commonly found on children are strongly dependent on parental behaviors. A dependency behavior shown by parents constitutes a specific behavior that helps the parents fulfill children’s needs. This kind of behavior will define a parental management ability in dealing with eating disorder phenomena on their children. This research, therefore, was set to analyze parental dependency behavior on parental management ability in dealing with eating disorder phenomena. A cross-sectional design was occupied to accommodate the research. A total of 245 families were selected to be the respondents, especially those who were taking care of children with ARFID. Data were collected using self-administered questionnaire. For descriptive data analysis, Manne-Whitney U test, one-way analysis of variance, Kruskal-Wallis, correlation product moment, and multiple linear regression were employed. Parental dependency behavior was closely related to parental management ability in dealing with eating disorder phenomena, especially in taking care of children with ARFID (r = 0.354; p = 0.000 &lt; 0.05). This dependency behavior encompassed parents calming children down (with p = 0.000 &lt; 0.05), giving hug to children (p = 0.000 &lt; 0.05), listening to children (p = 0.001 &lt; 0.05), solving children’s problems (p = 0.000 &lt; 0.05) and fulfilling needs of food and drink (p = 0.000 &lt; 0.05). On top of that, parental management ability in dealing with eating disorder occurrence was perceived referring to the result of multiple linear regression analysis, which was said to be mainly influenced by a predictor of parental dependency behavior in solving children’s problems (with β = 0.211; p = 0.001) and fulfilling children’s needs of food and drink (with β = 0.134; p = 0.047).Parental management ability in dealing with eating disorder was necessarily influenced by parental dependency behavior in solving children’s problems and fulfilling children’s needs of food and drink. Therefore, we suggest that nursing intervention be provided in respect of this case upon the population of families taking care of children with ARFID.

Uma coletânea para alargar o olhar sobre a 'nova ordem (des)informativa na era da pós-verdade'

Esta resenha apresenta as ideias centrais da coletânea As fake news e a nova ordem (des)informativa na era da pós-verdade, de João Figueira e Silvio Santos, publicada em 2019, que reúne 12 artigos sobre o fenômeno da desordem informacional e seus impactos na comunicação, na democracia e na prática do jornalismo. Partindo de diferentes perspectivas teóricas, os artigos traçam um panorama histórico da desinformação, buscando dimensionar o papel da tecnologia nesse processo. A análise da obra divide os textos em três eixos temáticos: a notícia e suas falsifiações; o impacto das falsifiações nos estados democráticos; e o discurso noticioso na desordem informacional.

Modern depressive disorder phenomena associated with suicidal male behavior

It was conducted a comprehensive survey of 100 men with depressive disorders. The clinical, psychopathological and pathopsychological features of depressive disorders associated with suicidal behavior in men were analyzed. All subjects were divided into two groups: the main group consisted of 51 patients with signs of suicidal behavior, control group consisted of 49 patients without signs of suicidal behavior. It has been shown that the clinical structure of depressive disorders is presented by sad (in 35.5 % of patients in the main group and in 34.7 % of control group), emotionally labile (in 29.9 % and in 31.3 %, respectively) and apathetic (in 34.6 % and in 34.0 %) variants. It has been established, that men with depressive disorders associated with self-destructive behavior have a high level of suicidal risk, low self-awareness of death, major or moderate depressive episode by MADRS, severe depression by HAM-D, clinically severe anxiety and depression by HADS, presence of serious suicidal intentions on the Columbian scale. Suicidogenic factors in men with depressive disorders are frustration of basic needs, loss of targeted personality installations and alcohol consumption. Keywords: depressive disorders, depression, anxiety, suicidal behavior.

Solid-State NMR Techniques for the Structural Characterization of Cyclic Aggregates Based on Borane-Phosphane Frustrated Lewis Pairs.

Modern solid-state NMR techniques offer a wide range of opportunities for the structural characterization of frustrated Lewis pairs (FLPs), their aggregates, and the products of cooperative addition reactions at their two Lewis centers. This information is extremely valuable for materials that elude structural characterization by X-ray diffraction because of their nanocrystalline or amorphous character, (pseudo-)polymorphism, or other types of disordering phenomena inherent in the solid state. Aside from simple chemical shift measurements using single-pulse or cross-polarization/magic-angle spinning NMR detection techniques, the availability of advanced multidimensional and double-resonance NMR methods greatly deepened the informational content of these experiments. In particular, methods quantifying the magnetic dipole–dipole interaction strengths and indirect spin–spin interactions prove useful for the measurement of intermolecular association, connectivity, assessment of FLP–ligand distributions, and the stereochemistry of adducts. The present review illustrates several important solid-state NMR methods with some insightful applications to open questions in FLP chemistry, with a particular focus on supramolecular associates.

Racing and crowded thoughts in mood disorders: A data-oriented theoretical reappraisal

ObjectivesSpeed of thought is a central phenomenon in mood disorders. We aimed to provide an update on the topic ten years after a first narrative review published on racing and crowded thoughts in mood disorders. This update is based on recent publications, including recent works of our group. MethodsNarrative review based on publications from the last ten years including publications of our group and a systematic research of references on PubMed. ResultsThe traditional dichotomist view of racing versus crowded thoughts is not refuted but appears to be more complex, as revealed by validation studies of the Racing and Crowded Thoughts Questionnaire. Moreover, this dualistic view can no longer be conceptualized in a simple bijective concordance with the distinction of hypomania versus mixed depression. We also show that racing/crowded thoughts are strongly associated with mixed depression and not with non-mixed depression, that they tend to be more associated in hypomania to irritability than to the typical symptoms of energy and activity increase and that they are clearly distinguishable from ruminations. Yet, although tightly linked to mood disorders, racing/crowded thoughts appear to be associated to anxiety as well as attention deficit/hyperactivity disorder and insomnia. ConclusionsRacing and crowded thoughts should be studied in a dimensional perspective as an important facet of mind activity within and beyond the field of mood disorders.