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Search results for: structural disorder
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Structural Disorder in High-Spin {CoII9WV6} (Core)-[Pyridine N-Oxides] (Shell) Architectures
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublicationThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...
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Photoluminescence as a probe of phosphorene properties
PublicationHere, we provide a detailed evaluation of photoluminescence (PL) as a comprehensive tool for phosphorene characterization with the emphasis on a prominent quantitative role of PL in providing fingerprint-like features due to its extreme sensitivity to the band structure details, anisotropy, disorder, external fields, etc. Factors such as number of layers, dimensionality, structural and chemical disorder, and environmental factors...
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Influence of orientational disorder on the optical absorption properties in hybrid metal‐halide perovskite CH3NH3PbI3. A combined DFT/TD‐DFT and experimental study.
PublicationAn experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed in order to reveal the structural disorder and to identify structures with the lowest energies. The electronic structure calculations provide an averaged band gap of 1.674 eV, which is in excellent agreement...
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublicationAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Structure and electric transport properties of Ca-doped bulk PrBa2Cu3O7−δ
PublicationThe crystal structure and electric transport properties of Pr1-xCaxBa2Cu3O7- delta (x= 0.0, 0.1, 0.2, 0.5) bulk ceramic samples, prepared by the standard solid-state reaction in air, were examined by X-ray power diffraction, resistivity measurements and room temperature thermoelectric power determination. Ca atoms introduce additional holes to the system as well as structural defects. The orthorhombic-to-tetragonal structural...
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Tunable Dielectric Switching of (Quinuclidinium)[MnCl4] Hybrid Compounds
PublicationInorganic−organic hybrid QMnCl (Q = quinuclidinium) crystals were synthesized and characterized. The X-ray and variable-temperature IR/Raman analysis demonstrate that the crystals undergo a reversible structural phase transition, which originates from an order−disorder process and is related to the dynamics of the organic Q cation. Dielectric function measurements disclose a switchability between low (“OFF”) and high (“ON”) dielectric...
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Evolution of the nanostructure of Pt and Pt–Co polymer electrolyte membrane fuel cell electrocatalysts at successive degradation stages probed by X-ray photoemission
PublicationWe present a set of XPS (X-ray photoemission spectroscopy) measurements and detailed data-analysis of electrodes for polymer electrolyte membrane fuel cell (PEMFC) based on carbon supported catalysts (Pt and Pt–Co) subjected to a step-like potential cycling (accelerated degradation test). The results of the measurements complete and corroborate parallel TEM (transmission electron microscopy), XRD (X-ray diffraction) and XAS (X-ray...
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Magnetic anisotropy and structural flexibility in the f ield-induced single ion magnets [Co{(OPPh2) (EPPh2)N}2], E = S, Se, explored by experimental and computational methods
PublicationDuring the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically,...
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Crystal structure and electronic structure of CePt2In7
PublicationWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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Crossover from charge density wave stabilized antiferromagnetism to superconductivity in Nd1−xLaxNiC2 compounds
PublicationThe path from the charge density wave antiferromagnet NdNiC2 to the noncentrosymmetric superconductor LaNiC2 is studied by gradual replacement of Nd by La ions. The evolution of physical properties is explored by structural, magnetic, transport, magnetoresistance, and specific heat measurements. With the substitution of La for Nd, the Peierls temperature is gradually suppressed, which falls within the BCS mean-field relation for...
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Nonlinear electrical properties of glass-ceramics nanocomposites containing ferroelectric nanocrystallites of Bi2VO5.5
PublicationNonlinear A.C. impedance measurements were conducted in the 50BiV-50SrBAlO nanocomposite as a function of frequency, temperature and A.C. voltage. This material is ferroelectric below temperature of 730 K, and above 730 K is a good ion-conductor. For this nanocomposite a low A.C. voltage of 1 V rms is enough to observe high nonlinearities. The origin of these nonlinear effects depends on the temperature and frequency. In the high...
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Investigating the disease- modifying properties of sclerotiorin in Alzheimer's therapy using acetylcholinesterase inhibition
PublicationAlzheimer's disease (AD) is a progressive neurodegenerative disorder caused due to the damage and loss of neurons in specific brain regions. It is the most common form of dementia observed in older people. The symptoms start with memory loss and gradually cause the inability to speak and do day-to-day activities. The cost of caring for those affected individuals is huge and is probably beyond most developing countries capability....
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Magnetoelectric, spectroscopic, optical and elastic properties of Co-doped BaTiO3 ceramics
Publicationhe BaTiO3 perovskite is widely used in the electronic technology due to its dielectric, piezoelectric and ferroelectric properties and is a well-known base for obtaining a promising multifunctional material. In this paper we report the extensive studies on the Co-doped BaTiO3 ceramics for the wide range cobalt content. Full structural characterization of studied samples in a 20–450 K range was provided. The results of research...
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Detection of Alzheimer's disease using Otsu thresholding with tunicate swarm algorithm and deep belief network
PublicationIntroduction: Alzheimer’s Disease (AD) is a degenerative brain disorder characterized by cognitive and memory dysfunctions. The early detection of AD is necessary to reduce the mortality rate through slowing down its progression. The prevention and detection of AD is the emerging research topic for many researchers. The structural Magnetic Resonance Imaging (sMRI) is an extensively used imaging technique in detection of AD, because...
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Perceived neighborhood disorder and quality of life: The role of the human-place bond, social interactions, and out-group blaming.
PublicationFour studies were carried out to examine how neighborhood disorder, human-place bonds, relationships among neighbors, and urban quality of life are related and what role blaming nonresidents plays in these relationships. In the first study, local identity was a significant mediator of the relationship between neighborhood disorder and quality of life. In the second study, we found that participants exposed to vignettes describing...
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PSYCHOMETRIC PROPERTIES OF THE POLISH VERSION OF THE GENERALIZED ANXIETY DISORDER 7-ITEM SCALE (GAD-7) IN A NON-CLINICAL SAMPLE OF EMPLOYEES DURING PANDEMIC CRISIS
PublicationObjectives: The COVID-19 outbreak is an example of a crisis that triggered an increase in generalized anxiety disorder. The study aims to validate the Polish version of the Generalized Anxiety Disorder 7-item scale (GAD-7) by Spitzer et al. among a non-clinical sample of employees and examine the invariance depending on the gender and age of working adults. Material and Methods: For assessing factor structure of the Polish version...
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Study of the atomic structure and morphology of the Pt3Co nanocatalyst
PublicationThe local structure and chemical disorder of a commercially available Pt3Co nanocatalyst supported on high surface area carbon were investigated. High-quality XAFS spectra were collected at the ELETTRA synchrotron XAFS 11.1 beamline. XAFS spectra analysis have been performed accounting for the reduction of the coordination number and degeneracy of three-body configurations, resulting from transmission electron microscopy (TEM)...
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Electro-chemo-mechanical properties in nanostructured Ca-doped ceria (CDC) by field assisted sintering
PublicationRecent investigations have shown that highly oxygen defective cerium oxides generate non-classical electrostriction that is superior to lead-based ferroelectrics. In this work, we report the effect of field-assisted spark plasma sintering (SPS) on electro-chemo-mechanical properties of calcium doped ceria (CDC). Nanometric powders of Ca.10 nm are rapidly consolidated to form polycrystalline nanostructures with a high degree of...
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Geminate-pair dissociation yield in systems with exponential energetic disorder — A Monte Carlo study
PublicationGeminate electron–hole recombination in systems with exponential energetic disorder is studied by Monte Carlo method. The field and temperature dependencies of geminate-pair dissociation probability are calculated. It is established that the dissociation yield of carrier pairs depends mainly on the extent of carrier thermalization, which influences the Einstein relationship. The approximate limiting temperature is given by Te =...
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Human-computer interaction approach applied to the multimedia system of polysensory integration
PublicationIn the paper an approach of utilizing an interaction between the human and computer in a therapy of dyslexia and other sensory disorders is presented. Bakker's neuropsychological concept of dyslexia along with therapy methods are reviewed in the context of the Multimedia System of Polysensory Integration, proposed at the Multimedia Systems Department of Gdansk Univ. of Technology. The system is presented along with the training...
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Reactions of lithiated diphosphanes R2P-P(SiMe3)LiTHF (R = tBu, iPr) with [(PNP)TiCl2]. Two different coordination types of phosphanylphosphido ligand to the metal center.
Publication[(PNP)TiCl2] (PNP = N[2-PiPr2-4-methylphenyl]2) reacts with one equivalent of lithium derivative of diphosphane R2P-P(SiMe3)LinTHF (R = tBu, iPr) in toluene and forms the first complex with g1-coordination [(PNP)Ti(Cl){g1-P(SiMe3)-PtBu2}] (1) and complex with g2-coordination [(PNP)Ti(Cl){g2-P(SiMe3)-PiPr2}] (2) of phosphanylphosphido ligands to the titanium center. The similar reaction with two equivalents of tBu2P-P(SiMe3)LinTHF...
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Psychometric assessment of the Internet Gaming Disorder diagnostic criteria: An Item Response Theory study
PublicationInternet Gaming Disorder (IGD) has been recognized by the American Psychiatric Association (APA) as a tentative disorder in the latest fifth revision of the Diagnostic and Statistical Manual of Mental Disorders (DSM-5). In order to advance research on IGD, the APA has suggested that further research on the nine IGD criteria to investigate its clinical and empirical feasibility is necessary. The aim of the present study was to...
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Psychometric assessment of the Internet Gaming Disorder diagnostic criteria: An Item Response Theory study
PublicationInternet Gaming Disorder (IGD) has been recognized by the American Psychiatric Association (APA) as a tentative disorder in the latest fifth revision of the Diagnostic and Statistical Manual of Mental Disorders (DSM-5). In order to advance research on IGD, the APA has suggested that further research on the nine IGD criteria to investigate its clinical and empirical feasibility is necessary. The aim of the present study was to develop...
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Factitious Disorder - Patient Pretending to Long Stay at the Hospital
Publicationhttps://indianmentalhealth.com/pdf/2022/vol9-issue2/17-Case-Report-2.pdf
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Laxer Clinical Criteria for Gaming Disorder May Hinder Future Efforts to Devise an Efficient Diagnostic Approach: A Tree-Based Model Study
PublicationInternet Gaming Disorder (IGD) has been recognized in May 2013 and can be evaluated using the criteria developed by American Psychiatric Association (APA). The present study investigated the role each IGD criteria plays in diagnosing disordered gaming. A total of 3,377 participants (mean age 20 years, SD = 4.3 years) participated in the study. The data collected was scrutinized to detect patterns...
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Modeling of subarachnoid space width change caused by blood circulation in brain vessels
PublicationThe subarachnoid space is an anatomic space, lying in the central nervous system, between the arachnoid membrane and the pia mater. It is filled with cerebrospinal fluid, which protects and nourishes the brain. The pathological disorder of the subarachnoid space (i.e. increase or decrease of its width) a ects the nervous system. Therefore, it is important to diagnose the width changes of the subarachnoid space. One way to support...
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Stress Detection of Children With ASD Using Physiological Signals
PublicationThis paper proposes a physiological signal-based stress detection approach for children with autism spectrum disorder (ASD) to be used in social and assistive robot inter- vention. Electrodermal activity (EDA) and blood volume pulse (BVP) signals are collected with an E4 smart wristband from children with ASD in different countries. The peak count and signal amplitude features are derived from EDA signal and used in order to detect...
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Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor
PublicationHigh-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder....
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Applications for investigating therapy progress of autistic children
PublicationThe paper regards supporting behavioral therapy of autistic children with mobile applications, specifically applied for measuring the child’s progress. A family of five applications is presented, that was developed as an investigation tool within the project aimed at automation of therapy progress monitoring. The applications were already tested with children with autism spectrum disorder. Hereby we analyse children’ experience...
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Stabilization of the pyrochlore phase of Mn2Sb2O7 by double substitution
PublicationPolycrystalline samples of (Ce4+Mn2+3)(Ga3+Sb5+3)O14 were synthesized by a high-temperature solid-state reaction. In contrast with the parent Mn2Sb2O7 compound that adopts a rhombohedral or monoclinic structure at T > 600 °C, the pyrochlore structure of CeMn3GaSb3O14 is retained up to at least T = 1070°C. High-resolution synchrotron x-ray diffraction measurements show no sign of a superstructure or distortion from cubic symmetry...
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Compulsive sexual behavior and dysregulation of emotion
PublicationIntroduction Dysregulation of emotion (DE) is commonly seen in individuals suffering from compulsive sexual behavior (CSB), as well as represents a crucial element of its common comorbidities like mood, anxiety, and substance use disorders. Aim To investigate the links between CSB and DE. Methods A review of pertinent literature on CSB and DE was performed using EBSCO, PubMed, and Google Scholar databases. Main Outcome Measure...
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Automatic recognition of therapy progress among children with autism
PublicationThe article presents a research study on recognizing therapy progress among children with autism spectrum disorder. The progress is recognized on the basis of behavioural data gathered via five specially designed tablet games. Over 180 distinct parameters are calculated on the basis of raw data delivered via the game flow and tablet sensors - i.e. touch screen, accelerometer and gyroscope. The results obtained confirm the possibility...
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Child-Robot Interaction Studies During COVID-19 Pandemic
PublicationThe coronavirus disease (COVID-19) pandemic affected our lives deeply, just like everyone else, the children also suffered from the restrictions due to COVID-19 affecting their education and social interactions with others, being restricted from play areas and schools for a long time. Although social robots provide a promising solution to support children in their education, healthcare, and social interaction with others, the precautions...
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Managing change through team building in the context of organizing Erasmus+ mobility projects at the Gdańsk Tech Library
PublicationThe article discusses managing change through team building in the context of organizing Erasmus+ mobility projects in the Gdańsk University of Technology Library as the main strategy which contributed to the projects’ success. The authors describe the projects realized in the years 2017-2019 within the scope of the Erasmus+ programme. The organizers decided to take a responsible and active approach towards managing change and...
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublicationThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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Mechanism of hopping conduction in Be–Fe–Al–Te–O semiconducting glasses and glass–ceramics
PublicationElectrical properties of beryllium-alumino-tellurite glasses and glass–ceramics doped with iron ions were studied using impedance spectroscopy. The conductivity was measured over a wide frequency range from 10 mHz to 1 MHz and the temperature range from 213 to 473 K. The D.C. conductivity values showed a correlation with the Fe-ion concentration and ratio of iron ions on different valence states in the samples. On the basis of...
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High-conducting Bi4V2-xFexO11-δ ceramics containing Fe2O3 nanocrystals: Structure and properties
PublicationThe topography, structure, thermal, magnetic, and electrical properties of Bi4V2-xFexO11-δ ceramics substituted with x = 0.5 and 0.7 Fe were studied. The microscope analysis showed the presence of iron-rich nanocrystals formed on the Bi-Fe-V-O grains. The X-ray diffraction studies confirmed that grains are built mostly of tetragonal Bi4V1.5Fe0.5O10.5 phase. Thermal properties analysis showed an order-disorder type γ ↔ γʹ phase...
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Local Conformation and Cocrystallization Phenomena in Renewable Diaminoisoidide-Based Polyamides Studied by FT-IR, Solid State NMR, and WAXD
PublicationBiobased polyamides synthesized from diaminoisoidide (DAII), 1,4-diaminobutane, and sebacic acid are investigated by FT-IR, 13C{1H} magic-angle spinning/cross-polarization (CP/MAS) NMR spectroscopy, and WAXD. Their molecular conformation and mobility undergo distinct changes as a function of temperature and diaminoisoidide content in the compositions. The presence of randomly distributed diaminoisoidide (DAII) in the polyamides...
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Stress Detection of Children with Autism using Physiological Signals in Kaspar Robot-Based Intervention Studies
PublicationThis study aims to develop a stress detection system using the blood volume pulse (BVP) signals of children with Autism Spectrum Disorder (ASD) during robot-based interven- tion. This study presents the heart rate variability (HRV) analysis method to detect the stress, where HRV features are extracted from raw BVP signals recorded from an E4 wristband during interaction studies with the social robot Kaspar. Low frequency power...
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New σ-phases in the Nb–X–Ga and Nb–X–Al systems (X = Ru, Rh, Pd, Ir, Pt, and Au)
PublicationPreviously unreported σ-phases in the ternary niobium-based systems Nb–X–Ga for X = Ru, Rh, Pd, Ir, Pt, Au, and Nb–X–Al for X = Ir, and Pt are presented, prepared by arc-melting followed by annealing at 1000 °C for 1 week. The phases are primitive tetragonal (P42/mnm, no. 136) with lattice parameters of a = 9.8336(2)–9.9432(1) Å and c = 5.1098(1)–5.1718(1) Å. Refinements of the single crystal X-ray diffraction data for the Ru and...
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A mobile loop order–disorder transition modulates the speed of chaperonin cycling
PublicationMolecular machines order and disorder polypeptides as they form and dissolve large intermolecular interfaces, but the biological significance of coupled ordering and binding has been established in few, if any, macromolecular systems. The ordering and binding of GroES co-chaperonin mobile loops accompany an ATP-dependent conformational change in the GroEL chaperonin that promotes client protein folding. Following ATP hydrolysis,...
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Context of Digitalized Employment for Older Adults with Autism Spectrum Disorder in the New Normal
PublicationEmployers are actively considering how to normalize remote work technology across different industries. The residual risk of coronavirus disease-19 (COVID-19) will necessarily lower the bar for allowing some workers to stay remote on a more permanent basis. This is based on the realization that many essential jobs can be teleworked while retaining or enhancing productivity. The decisions employers make regarding future work arrangements...
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Sleep alterations in treatment-resistant depression patients undergoing ketamine treatment
PublicationBackground This study examines self-reported sleep alterations in treatment-resistant depression (TRD) inpatients following intravenous ketamine administration. Methods This is a post-hoc analysis of a naturalistic observational study, which enrolled 28 inpatients with treatment-resistant major depressive disorder and analyzed self-reported sleep changes (items 1–4; ‘insomnia’, ‘nighttime restlessness’, ‘early morning waking’,...
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Sex contribution to average age at onset of Huntington's disease depends on the number of (CAG)n repeats
PublicationHuntington’s disease (HD) is a hereditary neurodegenerative disorder caused by the extension of the CAG repeats in exon 1 of the HTT gene and is transmitted in a dominant manner. The present study aimed to assess whether patients’ sex, in the context of mutated and normal allele length, contributes to age on onset (AO) of HD. The study population comprised a large cohort of 3723 HD patients from the European Huntington’s Disease...
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Proton conductivity in multi-component ABO4-type oxides
PublicationThis work investigates how configurational entropy in oxides could affect proton conductivity. For this purpose, three samples of different elemental compositions are synthesized. Five, six and seven elements were introduced into the A-site of ANbO4, forming La1/5 Nd1/5 Sm1/5Gd1/5 Eu1/5NbO4, La1/6Nd1/6Sm1/6Gd1/6Eu1/6Ho1/6NbO4 and La1/7Nd1/7Sm1/7Gd1/7Eu1/7Ho1/7Er1/7NbO4, respectively. The high configuration disorder changes the...
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Underdiagnosis of Major Depressive Episodes in Hemodialysis Patients: The Need for Screening and Patient Education.
PublicationThis article aims to identify the reasons why patients with major depressive episode (MDE) do not seek treatment for their mental disorder. 89 out of 208 persons screened were diagnosed with major depressive episode using the Mini-International Neuropsychiatric Interview. 85 individuals with untreated depression filled out the following questionnaires: Beck Depression Inventory, List of Explanations of Well-Being (LEWB), Brief...
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Differential expression profile between amygdala and blood during chronic lithium treatment in a rat model of depression – a pilot study
PublicationLithium is a mood stabilizer widely used in the pharmacotherapy of bipolar disorder and treatment‑resistant depression. Taking into account dysregulated inflammatory activity in depression and the immunomodulatory role of lithium, we hypothesized that genes associated with inflammatory responses may be potential biomarkers of lithium action. We aimed to compare gene expression changes between the brain and the periphery after...
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Trauma relacyjna
PublicationCelem artykułu jest krótkie przedstawienie aktualnej wiedzy na temat definicji traumy relacyjnej, miejsca w klasyfikacjach, rozpowszechnienia, konsekwencji oraz stosowanych metod terapeutycznych. Raporty z wielu krajów informują, iż w relacji z dorosłymi, zwykle rodzicami, od których dziecko jest zależne przez wiele lat, może dochodzić do różnych form krzywdzenia związanych nie tylko z przemocą, ale także z zaniedbaniem w sferze...
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Activation of Metabotropic Glutamate Receptor (mGlu2) and Muscarinic Receptors (M1, M4, and M5), Alone or in Combination, and Its Impact on the Acquisition and Retention of Learning in the Morris Water Maze, NMDA Expression and cGMP Synthesis
PublicationThe Morris water maze (MWM) is regarded as one of the most popular tests for detecting spatial memory in rodents. Long-term potentiation and cGMP synthesis seem to be among the crucial factors involved in this type of learning. Muscarinic (M1, M4, and M5 receptors) and metabotropic glutamate (mGlu) receptors are important targets in the search for antipsychotic drugs with the potency to treat cognitive disabilities associated with...