bluuebunny/crossref_metadata_2025_split huggingface dataset:
One-step sputtering of MoSSe metastable phase as thin film and predicted thermodynamic stability by computational methods
Authors: López-Galán Oscar A. , Boll Torben , Nogan John , Chassaing Delphine , Welle Alexander , Heilmaier Martin , Ramos Manuel 
Published: March 2024

AbstractWe present the fabrication of a MoS2−xSex thin film from a co-sputtering process using MoS2 and MoSe2 commercial targets with 99.9% purity. The sputtering of the MoS2 and MoSe2 was carried out using a straight and low-cost magnetron radio frequency sputtering recipe to achieve a MoS2−xSex phase with x = 1 and sharp interface formation as confirmed by Raman spectroscopy, time-of-flight secondary ion mass spectroscopy, and cross-sectional scanning electron microscopy. The sulfur and selenium atoms prefer to distribute randomly at the octahedral geometry of molybdenum inside the MoS2−xSex thin film, indicated by a blue shift in the A1g and E1g vibrational modes at 355 cm−1 and 255 cm−1, respectively. This work is complemented by computing the thermodynamic stability of a MoS2−xSex phase whereby density functional theory up to a maximum selenium concentration of 33.33 at.% in both a Janus-like and random distribution. Although the Janus-like and the random structures are in the same metastable state, the Janus-like structure is hindered by an energy barrier below selenium concentrations of 8 at.%. This research highlights the potential of transition metal dichalcogenides in mixed phases and the need for further exploration employing low-energy, large-scale methods to improve the materials’ fabrication and target latent applications of such structures.
Scale-free bursting activity in shrinkage induced cracking
Authors: Szatmári Roland , Nakahara Akio , Kitsunezaki So , Kun Ferenc 
Published: March 2024

AbstractBased on computer simulations of a realistic discrete element model we demonstrate that shrinkage induced cracking of thin layers of heterogeneous materials, generating spectacular crack patterns, proceeds in bursts. These crackling pulses are characterized by scale free distributions of size and duration, however, with non-universal exponents depending on the system size and shrinking rate. On the contrary, local avalanches composed of micro-cracking events with temporal and spatial correlation are found to obey a universal power law statistics. Most notably, we demonstrate that the observed non-universality of the integrated signal is the consequence of the temporal superposition of the underlying local avalanches, which pop up in an uncorrelated way in homogeneous systems. Our results provide an explanation of recent acoustic emission measurements on drying induced shrinkage cracking and may have relevance for the acoustic monitoring of the electro-mechanical degradation of battery electrodes.
Experimental study on the impact of “IDS + JFCS” complex wetting agent on the characteristics of coal bodies
Authors: Wang Hongyang , Xu Lianman , Qin Zhijiao , Li Xiaoliang , Cao Xuejing , Han Yumiao , Li Siqi , Ma Yufei , Gao Siqi , Du Lei , Yang Fengshuo 
Published: March 2024

AbstractAs China's coal mines have transitioned to deep mining, the ground stress within the coal seams has progressively increased, resulting in reduced permeability and poor wetting ability of conventional wetting agents. Consequently, these agents have become inadequate in fulfilling the requirements for preventing washouts during deep mining operations. In response to the aforementioned challenges, a solution was proposed to address the issues by formulating a composite wetting agent. This composite wetting agent combines a conventional surfactant with a chelating agent called tetrasodium iminodisuccinate (IDS). By conducting a meticulous screening of surfactant monomer solutions, the ideal formulation for the composite wetting agent was determined by combining the monomer surfactant with IDS. Extensive testing, encompassing evaluations of the composite solution's apparent strain, contact angle measurements, and alterations in the oxygenated functional groups on the coal surface, led to the identification of the optimal composition. This composition consisted of IDS serving as the chelating agent and fatty alcohol polyoxyethylene ether (JFCS).Subsequent assessment of the physical and mechanical performance of the coal briquettes treated with the composite wetting agent revealed notable enhancements. These findings signify significant advancements in the field and hold promising implications. Following the application of the composite wetting agent, notable reductions were observed in the dry basis ash and dry basis full sulfur of coal. Additionally, the water content within the coal mass increased significantly, leading to a substantial enhancement in the wetting effect of the coal body. This enhanced wetting effect effectively mitigated the coal body’s inclination towards impact, thereby offering technical support for optimizing water injection into coal seams and preventing as well as treating impact ground pressure.
Explaining the entropy forming ability for carbides with the effective atomic size mismatch
Authors: Kretschmer Andreas , Mayrhofer Paul Heinz 
Published: March 2024

AbstractTo quickly screen for single-phased multi-principal-element materials, a so-called entropy forming ability (EFA) parameter is sometimes used as a descriptor. The larger the EFA, the larger is the propensity to form a single-phase structure. We have investigated this EFA descriptor with atomic relaxations in special-quasi-random structures and discovered that the EFA correlates inversely with the lattice distortion. Large effective atomic size differences lead to multi-phase compounds, and little size differences to single-phase compounds. Instead of configurational entropy, we therefore demonstrate the applicability of the Hume-Rothery rules to phase stability of solid solutions even in compositionally complex ceramics.
Relationship between serum cortisol levels, stereotypies, and the presence of autism spectrum disorder in patients with severe intellectual disability
Authors: Ohtsubo Takeru , Mizoguchi Yoshito , Aita Chie , Imamura Yoshiomi , Kobayashi Momoko , Kunitake Yutaka , Tateishi Hiroshi , Ueno Takefumi , Monji Akira 
Published: March 2024

AbstractStereotypies are one of the diagnostic criteria for autism spectrum disorder (ASD) and are common to both ASD and intellectual disability (ID). Previous studies have been inconclusive, with some showing a positive correlation between stereotypies and cortisol, while others have shown a negative correlation. We hypothesised and investigated the presence of ASD as one of the variables involved in this discrepancy. We tested the following hypotheses on serum cortisol in a total of 84 hospitalised patients with severe ID and ASD with severe ID. Hypothesis (1) Higher levels of stereotypies are associated with higher levels of serum cortisol. Hypothesis (2) The presence of ASD will moderate the association between stereotypies and high serum cortisol levels. The results of the analysis supported hypotheses (1) and (2). We also found that in the population with ID, serum cortisol levels were significantly lower in the ASD group compared to the non-ASD group. The present findings that the association between stereotypies and serum cortisol levels in people with severe ID is moderated by the presence of ASD suggest that the stress response system may function differently in people with ID and ASD than in the general population.
Nuciferine reduces vascular leakage and improves cardiac function in acute myocardial infarction by regulating the PI3K/AKT pathway
Authors: Xie Wei , Chen Shumin , Wang Wenzhe , Qin Xichun , Kong Chuiyu , Wang Dongjin 
Published: March 2024

AbstractThe destruction of the microvascular structure and function can seriously affect the survival and prognosis of patients with acute myocardial infarction (AMI). Nuciferine has a potentially beneficial effect in the treatment of cardiovascular disease, albeit its role in microvascular structure and function during AMI remains unclear. This study aimed to investigate the protective effect and the related mechanisms of nuciferine in microvascular injury during AMI. Cardiac functions and pathological examination were conducted in vivo to investigate the effect of nuciferine on AMI. The effect of nuciferine on permeability and adherens junctions in endothelial cells was evaluated in vitro, and the phosphorylation level of the PI3K/AKT pathway (in the presence or absence of PI3K inhibitors) was also analyzed. In vivo results indicated that nuciferine inhibited ischemia-induced cardiomyocyte damage and vascular leakage and improved cardiac function. In addition, the in vitro results revealed that nuciferine could effectively inhibit oxygen–glucose deprivation (OGD) stimulated breakdown of the structure and function of human coronary microvascular endothelial cells (HCMECs). Moreover, nuciferine could significantly increase the phosphorylation level of the PI3K/AKT pathway. Finally, the inhibitor wortmannin could reverse the protective effect of nuciferine on HCMECs. Nuciferine inhibited AMI-induced microvascular injury by regulating the PI3K/AKT pathway and protecting the endothelial barrier function in mice.
Choice impulsivity after repeated social stress is associated with increased perineuronal nets in the medial prefrontal cortex
Authors: Martinez Christopher A. , Pantazopoulos Harry , Gisabella Barbara , Stephens Emily T. , Garteiser Jacob , Del Arco Alberto 
Published: March 2024

AbstractRepeated stress can predispose to substance abuse. However, behavioral and neurobiological adaptations that link stress to substance abuse remain unclear. This study investigates whether intermittent social defeat (ISD), a stress protocol that promotes drug-seeking behavior, alters intertemporal decision-making and cortical inhibitory function in the medial prefrontal cortex (mPFC). Male long evans rats were trained in a delay discounting task (DDT) where rats make a choice between a fast (1 s) small reward (1 sugar pellet) and a large reward (3 sugar pellets) that comes with a time delay (10 s or 20 s). A decreased preference for delayed rewards was used as an index of choice impulsivity. Rats were exposed to ISD and tested in the DDT 24 h after each stress episode, and one- and two-weeks after the last stress episode. Immunohistochemistry was performed in rat’s brains to evaluate perineuronal nets (PNNs) and parvalbumin GABA interneurons (PV) labeling as markers of inhibitory function in mPFC. ISD significantly decreased the preference for delayed large rewards in low impulsive, but not high impulsive, animals. ISD also increased the density of PNNs in the mPFC. These results suggest that increased choice impulsivity and cortical inhibition predispose animals to seek out rewards after stress.
On topological indices and entropy measures of beryllonitrene network via logarithmic regression model
Authors: Yu Guofeng , Siddiqui Muhammad Kamran , Hussain Mazhar , Hussain Nazir , Saddique Zohaib , Petros Fikre Bogale 
Published: March 2024

AbstractChemical graph theory, a subfield of graph theory, is used to investigate chemical substances and their characteristics. Chemical graph analysis sheds light on the connection, symmetry, and reactivity of molecules. It supports chemical property prediction, research of molecular reactions, drug development, and understanding of molecular networks. A crucial part of computational chemistry is chemical graph theory, which helps researchers analyze and manipulate chemical structures using graph algorithms and mathematical models. Beryllonitrene , a compound of interest due to its potential applications in various fields, is examined through the lens of graph theory and mathematical modeling. The study involves the calculation and interpretation of topological indices and graph entropy measures, which provide valuable insights into the structural and energetic properties of Beryllonitrene’s molecular graph. Logarithmic regression models are employed to establish correlations between these indices, entropy, and other relevant molecular attributes. The results contribute to a deeper understanding of Beryllonitrene’s complex characteristics, facilitating its potential applications in diverse scientific and technological domains. In this study, degree-based topological indices $$\text{TI}$$
TI
are determined, as well as the entropy of graphs based on these $$\text{TI}$$
TI
.
Evaluation of healthcare-related factors influencing mental health of Taiwanese citizens among different age groups
Authors: Tien Yun-Hsiang , Huang Jingchi 
Published: March 2024

AbstractThe issue of mental health has gained heightened recognition as a significant public health concern due to its potential to significantly impact various aspects of individuals’ lives. Numerous factors may influence mental health, and this study seeks to investigate and compare potential healthcare-related factors that affect the mental health of Taiwanese individuals across different age groups. Data for this study were taken from the Taiwan Social Change Survey (TSCS), conducted in 2021. Descriptive statistics were calculated to compare the three age groups. Then, multiple regression models were constructed with mental health conditions as the dependent variable and demographics and other key healthcare-related components as independent variables, respectively. Results showed that, among the three age groups, the middle-aged adults had the highest BMI, and the older adults had significantly better mental health. As compared with the other age groups, the older adults had significantly better perceptions of fair distribution of healthcare resources, and their trust in the healthcare system was the highest. With regard to searching for online healthcare information, the frequency reported by the older adults was the lowest. The regression model showed that, religious belief, trust in the healthcare system and searching for online healthcare information were significantly associated with mental health of middle-aged adults. In the younger group, searching for online healthcare information was significantly negatively associated with mental health. The study’s findings provide insight into how to provide Taiwanese citizens of different age groups with proper and targeted mental health promotion activities.
Loss-of-function mutations are main drivers of adaptations during short-term evolution
Authors: Klim Joanna , Zielenkiewicz Urszula , Kaczanowski Szymon 
Published: March 2024

AbstractWe noticed that during short-term experimental evolution and carcinogenesis, mutations causing gene inactivation (i.e., nonsense mutations or frameshifts) are frequent. Our meta-analysis of 65 experiments using modified dN/dS statistics indicated that nonsense mutations are adaptive in different experimental conditions and we empirically confirmed this prediction. Using yeast S. cerevisiae as a model we show that fixed or highly frequent gene loss-of-function mutations are almost exclusively adaptive in the majority of experiments.
A comprehensive computational study to explore promising natural bioactive compounds targeting glycosyltransferase MurG in Escherichia coli for potential drug development
Authors: Shtaiwi Amneh , Khan Shafi Ullah , Khedraoui Meriem , Alaraj Mohd , Samadi Abdelouahid , Chtita Samir 
Published: March 2024

AbstractPeptidoglycan is a carbohydrate with a cross-linked structure that protects the cytoplasmic membrane of bacterial cells from damage. The mechanism of peptidoglycan biosynthesis involves the main synthesizing enzyme glycosyltransferase MurG, which is known as a potential target for antibiotic therapy. Many MurG inhibitors have been recognized as MurG targets, but high toxicity and drug-resistant Escherichia coli strains remain the most important problems for further development. In addition, the discovery of selective MurG inhibitors has been limited to the synthesis of peptidoglycan-mimicking compounds. The present study employed drug discovery, such as virtual screening using molecular docking, drug likeness ADMET proprieties predictions, and molecular dynamics (MD) simulation, to identify potential natural products (NPs) for Escherichia coli. We conducted a screening of 30,926 NPs from the NPASS database. Subsequently, 20 of these compounds successfully passed the potency, pharmacokinetic, ADMET screening assays, and their validation was further confirmed through molecular docking. The best three hits and the standard were chosen for further MD simulations up to 400 ns and energy calculations to investigate the stability of the NPs-MurG complexes. The analyses of MD simulations and total binding energies suggested the higher stability of NPC272174. The potential compounds can be further explored in vivo and in vitro for promising novel antibacterial drug discovery.
Darier disease is associated with neurodegenerative disorders and epilepsy
Authors: Curman Philip , Jebril William , Larsson Henrik , Bachar-Wikstrom Etty , Cederlöf Martin , Wikstrom Jakob D. 
Published: March 2024

AbstractDarier disease (DD) is a rare monogenetic skin disorder with limited data on its potential association with neurological disorders. This study aimed to investigate the association between DD and neurological disorders, specifically Parkinson's disease, dementias, and epilepsy. Using Swedish national registers in a period spanning between 1977 and 2013, 935 individuals with DD were compared with up to 100 comparison individuals each, randomly selected from the general population based on birth year, sex, and county of residence at the time of the first diagnosis of DD. Individuals with DD had increased risks of being diagnosed with Parkinson's disease (RR 2.1, CI 1.1; 4.4), vascular dementia (RR 2.1, CI 1.0; 4.2), and epilepsy, (RR 2.5, CI 1.8; 3.5). No association of DD with other dementias were detected. This study demonstrates a new association between DD and neurodegenerative disorders and epilepsy, underlining the need for increased awareness, interdisciplinary collaboration, and further research to understand the underlying mechanisms. Early identification and management of neurological complications in DD patients could improve treatment strategies and patient outcomes. The findings also highlight the role of SERCA2 in the pathophysiology of neurological disorders, offering new targets for future research and potentials for novel treatments.
Droplet dynamics affecting the shape of patterns formed spontaneously by transforming UV-curable emulsions
Authors: Inaba Yoshimi , Yanagisawa Takayuki 
Published: March 2024

AbstractForming large pitch and depth patterns spontaneously based on a bottom–up approach is a challenging task but with great industrial value. It is possible to spontaneously form an uneven (concave–convex) patterns with submillimeter-to-millimeter-scale pitches and depths by the direct pattern exposure of a UV-curable oil-in-water (O/W) emulsion liquid film. UV irradiation generates a latent pattern of a cured particle aggregation in the liquid film, and an uneven structure is spontaneously formed during the subsequent drying process. This process does not require any printing and embossing plates or development process. In this report, we presented an example of unevenness formation with a maximum pattern depth of approximately 0.4 mm and a maximum pitch width of 5 mm. The patterns formed by this method have raised edges in the exposed areas and fogging in unexposed areas. The pattern shapes become conspicuous under overexposure conditions, but the formation mechanism has not yet been understood in detail and needs to be investigated. In this study, we focused on the exposure process and clarified the mechanism of pattern formation by analyzing the dynamics of emulsion droplets in the medium by an in situ microscopy observation method. As a result, we found that the fogging was mainly caused by light leakage from the exposed area, and the raised pattern edges were caused by droplets transported from the unexposed area to the exposed area. Furthermore, the convection caused by the heat generated from polymerization is a determining factor affecting all these phenomena. By controlling the pattern shape related to convection utilizing direct projection exposure, we showed an example of eliminating raised pattern edges with a height difference of approximately 0.1 mm. By devising and selecting exposure methods, we can expand the range of design applications such as interior decorative patterns.
Antioxidant production promotes defense mechanism and different gene expression level in Zea mays under abiotic stress
Authors: Ali Qurban , Sami Adnan , Haider Muhammad Zeshan , Ashfaq Muhammad , Javed Muhammad Arshad 
Published: March 2024

AbstractThe growth and productivity of maize are severely affected by soil salinity. The crucial determinants for the future performance of plants are productive for seed germination and seedling establishment; however, both stages are liable to soil salinity. For grain, maize is an economically significant crop sensitive to abiotic stresses. However, little is known about defense responses by the salinity-induced antioxidant and oxidative stress in maize. In our work, the commercially available maize variety Raka-Poshi was grown in pots for 30 days under greenhouse conditions. To evaluate the salt-induced oxidative/antioxidant responses in maize for salt stress 0, 25, 50, 75, 100 and 150 mM concentrations, treatments were provided using sodium chloride (NaCl). All the biochemical indices were calculated under all NaCl concentrations, while drought was induced by up to 50% irrigation water. After 30 days of seed germination, the maize leaves were collected for the measurement of lipid peroxidase or malondialdehyde (MDA), glutathione reductase (GR), guaiacol peroxidase (GPOD), hydrogen peroxide (H2O2), superoxide dismutase (SOD), lipoxygenase (LOX), catalase (CAT), ascorbate peroxidase (APOD) and glutathione-S-transferase (GST). The results revealed a 47% reduction under 150 mM NaCl and 50% drought stress conditions. The results have shown that the successive increase of NaCl concentrations and drought caused an increase in catalase production. With successive increase in NaCl concentration and drought stress, lower levels of H2O2, SOD, and MDA were detected in maize leaves. The results regarding the morphology of maize seedlings indicated a successive reduction in the root length and shoot length under applications of salt and drought stress, while root-to-shoot weights were found to be increased under drought stress and decreased under salt stress conditions During gene expression analysis collectively indicate that, under drought stress conditions, the expression levels of all nine mentioned enzyme-related genes were consistently downregulated.
Interrogation of RNA-protein interaction dynamics in bacterial growth
Authors: Monti Mie , Herman Reyme , Mancini Leonardo , Capitanchik Charlotte , Davey Karen , Dawson Charlotte S , Ule Jernej , Thomas Gavin H , Willis Anne E , Lilley Kathryn S , Villanueva Eneko 
Published: March 2024

AbstractCharacterising RNA–protein interaction dynamics is fundamental to understand how bacteria respond to their environment. In this study, we have analysed the dynamics of 91% of the Escherichia coli expressed proteome and the RNA-interaction properties of 271 RNA-binding proteins (RBPs) at different growth phases. We find that 68% of RBPs differentially bind RNA across growth phases and characterise 17 previously unannotated proteins as bacterial RBPs including YfiF, a ncRNA-binding protein. While these new RBPs are mostly present in Proteobacteria, two of them are orthologs of human mitochondrial proteins associated with rare metabolic disorders. Moreover, we reveal novel RBP functions for proteins such as the chaperone HtpG, a new stationary phase tRNA-binding protein. For the first time, the dynamics of the bacterial RBPome have been interrogated, showcasing how this approach can reveal the function of uncharacterised proteins and identify critical RNA–protein interactions for cell growth which could inform new antimicrobial therapies.