Whereas the concept of intrinsic disorder derives from biophysical observations of the lack of structure of proteins or protein regions under native conditions, many of our respective concepts rest on proteome-scale bioinformatics predictions. It is...
Intrinsically-disordered protein (IDP) characterization was an amazing change of paradigm in our classical sequence-structure-function theory. Moreover, IDPs are over-represented in major disease pathways and are now often targeted using small molecu...
Autism spectrum disorder (ASD) is a neurodevelopmental disorder characterized by restrictive interests and/or repetitive behaviors and deficits in social interaction and communication. ASD is a multifactorial disease with a complex polygenic genetic...
Details of the functional mechanisms of intrinsically disordered proteins (IDPs) in living cells is an area not frequently investigated. Here, we dissect the molecular mechanism of action of an IDP in cells by detailed structural analyses based on an...
Structural covariance is described as coordinated variation in brain morphological features, such as cortical thickness and volume, among brain structures functionally or anatomically interconnected to one another. Structural covariance networks, bas...
Objective: The structural covariance network (SCN) alterations in patients with temporal lobe epilepsy and comorbid sleep disorder (PWSD) remain poorly understood. This study aimed to investigate changes in SCNs using structural magnetic resonance im...
24 March 2021
South Korea’s suicide rate has been ranked second among OECD countries, and the rate of suicidal ideation is the highest among men with alcohol use disorder. To test a hypothetical model of men with alcohol use disorder based on O’Connor’s integrated...
A combination of synchrotron X-ray total scattering and molecular simulation is a powerful approach for reliable determination of the structure of δ-MgCl2 as an indispensable component of heterogeneous Ziegler–Natta catalysts. Here, the s...
Although cognitive behavioral therapy (CBT) is effective for patients with obsessive-compulsive disorder (OCD), 40% of OCD patients show a poor response to CBT. This study aimed to identify the cortical structural factors that predict CBT outcomes in...
Layered hybrid halide perovskites (LHHPs) are an emerging type of semiconductor with a set of unique optoelectronic properties. However, the solution processing of high-quality LHHPs films with desired optical properties and phase composition is a ch...
Background: Core symptoms of Borderline Personality Disorder (BPD) are associated to aberrant connectivity of the triple network system (salience network [SN], default mode network [DMN], executive control network [ECN]). While functional abnormaliti...
Autism spectrum disorder (ASD) affects approximately 1.4% of the population and imposes significant social and economic burdens. Because its etiology is unknown, effective diagnosis is challenging. Advancements in structural magnetic resonance imagin...
Autistic spectrum disorder (ASD) is a neurodevelopmental disability characterised by the impairment of social interaction and communication ability. The alarming increase in its prevalence in children urged researchers to obtain a better understandin...
Computational methods are prevailing in identifying protein intrinsic disorder. The results from predictors are often given as per-residue disorder scores. The scores describe the disorder propensity of amino acids of a protein and can be further rep...
The interpretation of the short-range static and/or dynamic disorder in a crystal structure from X-ray data is often a rather complex problem. Recently, we synthesized and characterized three co-crystalline complexes between fluorene, showing C2v sym...
The progress in the practical use of glassy carbon materials has led to a considerable interest in understanding the nature of their physical properties. The electrophysical properties are among the most demanded properties. However, obtaining such m...
19 October 2024
Neurodegenerative disorders, particularly Alzheimer’s and Parkinson’s diseases, continue to challenge modern medicine despite therapeutic advances. Orphan G-protein-coupled receptors (GPCRs) have emerged as promising targets in the centra...
The unique functions of intrinsically disordered proteins (IDPs) depend on their dynamic protean structure that often eludes analysis. High-speed atomic force microscopy (HS-AFM) can conduct this difficult analysis by directly visualizing individual...
Traditionally, X-ray crystallography and NMR spectroscopy represent major workhorses of structural biologists, with the lion share of protein structures reported in protein data bank (PDB) being generated by these powerful techniques. Despite their w...
This paper discusses the results of the micro-Raman analysis performed on paper-like graphene oxide (GO) samples consisting of many functionalised graphene layers and annealed at moderate temperatures (≤500 °C) under vacuum conditions (p ͭ...
2 February 2023
Recovery from substance use disorder requires access to effective coping resources. The most widely self-reported questionnaire used to assess coping responses is the Brief COPE; however, different factorial structures were found in a variety of samp...
Structural disorder has been shown to be responsible for profound changes of the interaction-energy landscapes and collective dynamics of two-dimensional (2D) magnetic nanostructures. Weakly-disordered 2D ensembles have a few particularly stable magn...
Intense study of intrinsically disordered proteins (IDPs) did not begin in earnest until the late 1990s when a few groups, working independently, convinced the community that these ‘weird’ proteins could have important functions. Over the...
Differential diagnosis of unresponsive wakefulness syndrome (UWS) and minimally conscious state (MCS) is one of the most challenging problems for specialists who deal with chronic disorders of consciousness (DOC). The aim of the current study was to...
Intrinsically disordered proteins (IDPs) are unorthodox proteins that do not form three-dimensional structures under non-denaturing conditions, but perform important biological functions. In addition, IDPs are associated with many critical diseases i...
Intrinsically disordered proteins mediate crucial biological functions through their interactions with other proteins. Mutual synergistic folding (MSF) occurs when all interacting proteins are disordered, folding into a stable structure in the course...
Polyglutamine (polyQ) disorders are a group of neurodegenerative diseases characterized by the excessive expansion of CAG (cytosine, adenine, guanine) repeats within host proteins. The quest to unravel the complex diseases mechanism has led researche...
There is increasing evidence that many intrinsically disordered regions (IDRs) in proteins play key functional roles through interactions with other proteins or nucleic acids. These interactions often exhibit a context-dependent structural behavior....
Although it is one of the most studied proteins, p53 continues to be an enigma. This protein has numerous biological functions, possesses intrinsically disordered regions crucial for its functionality, can form both homo-tetramers and isoform-based h...
Simulation of diffraction patterns for 1D disordered crystals was used to investigate the structure of the initial CO32− containing MgGa LDHs with a different Mg2+/(Mg2+ + Ga3+) ratio equal to 0.67, 0.75, and 0.80; mixed oxides obtained by calc...
Various structural and functional constraints govern the evolution of protein sequences. As a result, the relative rates of amino acid replacement among sites within a protein can vary significantly. Previous large-scale work on Metazoan (Animal) pro...
Major depressive disorder (MDD) and bipolar disorder (BD) share clinical features, which complicates their differentiation in clinical settings. This study proposes an innovative approach that integrates structural connectome analysis with machine le...
Autism spectrum disorder (ASD) is a pervasive neurodevelopmental disorder characterized by abnormalities in structure and function of the brain. However, how ASD affects the relationship between fiber-bundle microstructures and functional connectivit...
Two-dimensional (2D) van der Waals (vdW) AIIIBVI semiconductor materials, such as InSe and GaSe, are of considerable interest due to their potential use in various microelectronics applications. The range of properties of materials of this class can...
We propose a framework to convert the protein intrinsic disorder content to structural entropy (H) using Shannon’s information theory (IT). The structural capacity (C), which is the sum of H and structural information (I), is equal to the amino acid...
Single crystals of Fe0.43Mo2.56SbO9.5 were obtained by hydrothermal techniques at 230 °C. The crystal structure was determined from single crystal X-ray diffraction data. The compound crystallizes in the non-centrosymmetric space group Pc with un...
29 May 2022
(1) Background: Internet gaming disorder (IGD) in youths likely leads to disruptive mood dysregulation, especially among those with attention-deficit/hyperactivity disorder (ADHD). Whether IGD mediates the pathways leading ADHD to disruptive emotiona...
In this work, a novel solid polymer electrolyte with a disordered structure has been designed, combining polyethylene glycol (PEG) as the flexible segments and hexamethylene diisocyanate (HDI) as the rigid segments. The synthesis was realized by alte...
By combining X-ray absorption fine structure and X-ray diffraction measurements with density functional and molecular dynamics simulations, we study the structure of a set of AgxBi1−xS2 nanoparticles, a materials system of considerable current...
The fibroblast growth factor receptor 2 (FGFR2) gene is one of the most extensively studied genes with many known mutations implicated in several human disorders, including oncogenic ones. Most FGFR2 disease-associated gene mutations are missense mut...
Bilateral cingulotomy is a procedure applied to patients with obsessive–compulsive disorder (OCD). This report presents the structural changes occurring within the forceps minor and arcuate fascicles nerve fibers after a successful bilateral an...
Eukaryotic proteins consist of structural domains (SDs) and intrinsically disordered regions (IDRs), i.e., regions that by themselves do not assume unique three-dimensional structures. IDRs are generally subject to less constraint and evolve more rap...
Here, we report results of the investigation of the lattice dynamics of the sylvanite mineral AuAgTe4 in a wide temperature and pressure range by Raman spectroscopy, together with the first-principle calculations. At ambient pressure, the experimenta...
The title salt, triphenyl(P,P,P-triphenylphosphineimidato-kN)-phosphorus(1+) 1,3,5,7-tetrathia(1,5-SIV)-2,4,6,8,9-pentaazabicyclo[3.3.1]nona-1,4,6,7-tetraene(1−), CAS [48236-06-2], prepared by the literature method, is found by crystallography to be...
We herein review available computational and experimental data pointing to the abundance of structural disorder within the nucleoprotein (N) and phosphoprotein (P) from three paramyxoviruses, namely the measles (MeV), Nipah (NiV) and Hendra (HeV) vi...
Background: Eukaryotic RNA polymerase I consists of 12 or 11 core subunits and three dissociable subunits, Rrn3, A34, and A49. The A34 and A49 subunits exist as a heterodimer. In silico analysis of the A34 family of transcription factors demonstrates...
CDKL5 (cyclin-dependent kinase-like 5) deficiency disorder (CDD) is a severe neurodevelopmental disease that mostly affects girls, who are heterozygous for mutations in the X-linked CDKL5 gene. Mutations in the CDKL5 gene lead to a lack of CDKL5 prot...
Congenital fibrinogen disorders are caused by mutations in genes coding for fibrinogen and may lead to various clinical phenotypes. Here, we present a functional and structural analysis of 4 novel variants located in the FGB gene coding for fibrinoge...
Two polytypic modifications of new non-centrosymmetric iodate Rb3Sc(IO3)6 are synthesized hydrothermally. Their structures demonstrate different degrees of ordering and are solved in the same space group, Pc, with differing choice of b-axis: either 2...
Extrusion is a thermomechanical technology that has been widely used in the production of various starch-based foods and can transform raw materials into edible products with unique nutritional characteristics. Starch digestibility is a crucial nutri...
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