Search Results (522)

Loneliness is a significant challenge for millions worldwide, with chronic loneliness having harmful effects on physical health, mental well-being, and relationships. Cognitive distortions play an important role in perpetuating loneliness. Psychological interventions targeting such distortions have been effective at alleviating feelings of loneliness. However, less is known about which cognitive distortions are most prevalent among lonely individuals and how these distortions relate to loneliness and mental well-being. This exploratory study prescreened a Census-matched sample of 1000 U.S. adults for loneliness, then asked those in the top quartile (N = 237) to rate multiple patterns of cognitive distortion related to loneliness. Factor analyses identified six common and influential patterns of cognitive distortion (mindreading, future reward, catastrophizing, essentializing, deservedness, and externalizing). Essentializing was the most strongly endorsed factor, followed by mindreading and catastrophizing. Essentializing also evidenced the strongest correlation with loneliness. Additionally, the relationship between loneliness and participants’ stress was completely mediated by mindreading, catastrophizing, and essentializing. These findings highlight the importance of targeting specific cognitive distortions in loneliness interventions to effectively improve the mental well-being of lonely individuals. Full article

Using density functional theory (M06-2X-D3/def2-TZVP), we investigated the 1,2-addition reactions of NH₃ with a series of heavy imine analogues, G13=P-Rea (where G13 denotes a Group 13 element; Rea = reactant), featuring a mixed G13–P–Ga backbone. Theoretical analyses revealed that the bonding nature of the G13=P moiety in G13=P-Rea molecules varies with the identity of the Group 13 center. For G13=B, Al, Ga, and In, the bonding is best described as a donor–acceptor (singlet–singlet) interaction, whereas for G13=Tl, it is characterized by an electron-sharing (triplet–triplet) interaction. According to our theoretical studies, all G13=P-Rea species—except the Tl=P analogue—undergo 1,2-addition with NH₃ under favorable energetic conditions. Energy decomposition analysis combined with natural orbitals for chemical valence (EDA–NOCV), along with frontier molecular orbital (FMO) theory, reveals that the primary bonding interaction in these reactions originates from electron donation by the lone pair on the nitrogen atom of NH₃ into the vacant p-π* orbital on the G13 center. In contrast, a secondary, weaker interaction involves electron donation from the phosphorus lone pair of the G13=P-Rea species into the empty σ* orbital of the N–H bond in NH₃. The calculated activation barriers are primarily governed by the deformation energy of ammonia. Specifically, as the atomic weight of the G13 element increases, the atomic radius and G13–P bond length also increase, requiring a greater distortion of the H₂N–H bond to reach the transition state. This leads to a higher geometrical deformation energy of NH₃, thereby increasing the activation barrier for the 1,2-addition reaction involving these Lewis base-stabilized, heavy imine-like G13=P-Rea molecules and ammonia. Full article

This article demonstrates the enabling influence of mixed-genre (or hybrid) poetries by North American women on recent poetry by Irish women poets, specifically in the past decade. Using a compositional/practice-based framework of interruption, the article provides an overview and analysis of interruptive strategies in a number of exemplary texts, including Don’t Let Me Be Lonely by Claudia Rankine, Jane: A Murder by Maggie Nelson, and Zong! by M. NourbeSe Philip in the North American context and ISDAL by Susannah Dickey, The Sun is Open by Gail McConnell, and MOTHERBABYHOME by Kimberly Campanello, among others. This comparative approach encompasses close readings and analysis of particular compositional approaches evident in both national contexts, in addition to the use of archival sources, news-reporting, and aesthetic strategies of interruption. The article suggests that “a poetics of material interruption” is at play in poetries on both sides of the Atlantic, gesturing towards marginalising forces of gender and colonisation, thus linking to themes prevalent in the above poetries in both Irish and North American contexts. The author poses a “poetics of material interruption” in the aesthetics and composition of the above mixed-genre poetries, perhaps arising from their interactions with the material conditions to which they respond. Full article

Covalent organic frameworks (COFs) have emerged as unique catalysts for photocatalysis; however, the relationship between their building block units and optoelectronic properties remains elusive. Herein, we explored the influence of building blocks on the optoelectronic properties of benzotrithiophene-based COFs (BTT-COFs) using density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. The calculation results suggested that three critical factors—the conjugated structure, planarity, and the introduction of nitrogen heteroatoms—significantly influenced charge separation and transfer within BTT-COFs. Structure–property relationships were established through several critical quantitative parameters, such as Sr, t, and CT. Among seven BTT-COFs, BTT-Tpa (Tpa: 4,4′,4″-triaminotriphenylamine) exhibited the most efficient charge separation and the highest charge transfer capability due to the electronegativity of triphenylamine, the delocalization of its lone pair electrons, and its unique star-shaped configuration. These theoretical results will provide an essential foundation for selecting donor–acceptor units in the design of novel COF materials for photocatalytic reaction applications. Full article

The persistent contamination of aquatic environments by heavy metals, particularly Pb²⁺, Cd²⁺, and Cu^2+, poses a serious global threat due to their toxicity, persistence, and bioaccumulative behavior. In response, low-cost and eco-friendly adsorbents are being explored, among which CaCO₃-based biocomposites derived from mollusk shells have shown exceptional performance. In this study, a hybrid biocomposite composed of poly(vinyl alcohol) (PVA) and oyster shell-derived CaCO₃ was computationally investigated using Density Functional Theory (DFT) to elucidate the electronic and structural basis for its high metal-removal efficiency. Calculations were performed at the B3LYP/6-311++G(d,p), M05-2X/6-311+G(d,p), and M06-2X/6-311++G(d,p) levels using GAUSSIAN 16. Among them, B3LYP was identified as the most balanced in terms of accuracy and computational cost. The hybridization with CaCO₃ reduced the HOMO-LUMO gap by 20% and doubled the dipole moment (7.65 Debye), increasing the composite’s polarity and reactivity. Upon chelation with metal ions, the gap further dropped to as low as 0.029 eV (Cd²⁺), while the dipole moment rose to 17.06 Debye (Pb²⁺), signaling enhanced charge separation and stronger electrostatic interactions. Electrostatic potential maps revealed high nucleophilicity at carbonate oxygens and reinforced electrophilic fields around the hydrated metal centers, correlating with the affinity trend Cu²⁺ > Cd²⁺ > Pb²⁺. Fukui function analysis indicated a redistribution of reactive sites, with carbonate oxygens acting as ambiphilic centers suitable for multidentate coordination. Natural Bond Orbital (NBO) analysis confirmed the presence of highly nucleophilic lone pairs and weakened bonding orbitals, enabling flexible adsorption dynamics. Furthermore, NCI/RDG analysis highlighted attractive noncovalent interactions with Cu²⁺ and Pb²⁺, while FT-IR simulations demonstrated the formation of hydrogen bonding (O–H···O=C) and Ca²⁺···O coordination bridges between phases. Full article

Y₅F₃[AsO₃]₄ crystallizes needle-shaped in the tetragonal space group P4/ncc with the lattice parameters a = 1143.80(8) pm, c = 1078.41(7) pm and c/a = 0.9428 for Z = 4. The yttrium-fluoride substructure linked via secondary contacts forms a three-dimensional network $\begin{array}{c}3\\ \infty \end{array}${[Y₅F₃]¹²⁺} and the remaining part consists of ψ¹-tetrahedral [AsO₃]³⁻ units, which leave lone-pair channels along [001]. In contrast, platelet-shaped Y₅Cl₃[AsO₃]₄ crystals adopt the monoclinic space group C2/c with the lattice parameters a = 1860.56(9) pm, b = 536.27(3) pm, c = 1639.04(8) pm and β = 105.739(3)° for Z = 4. Condensation of [(Y1,2)O₈]¹³⁻ polyhedra via four common edges each leads to fluorite-like $\begin{array}{c}2\\ \infty \end{array}$ {[(Y1,2)O $\begin{array}{c}e\\ 8/2\end{array}$ ]⁵⁻} layers spreading out parallel to the (100) plane. Their three-dimensional linkage occurs via the (Y3)³⁺ cations with their Cl⁻ ligands on the one hand and the As³⁺ cations with their lone-pairs of electrons on the other, which also form within [AsO₃]³⁻ anions lone-pair channels along [010]. Both colorless compounds can be obtained by solid-state reactions from corresponding mixtures of the binaries (Y₂O₃, As₂O₃ and YX₃ with X = F and Cl) at elevated temperatures of 825 °C, most advantageously under halide-flux assistance (CsBr for Y₅F₃[AsO₃]₄ and ZnCl₂ for Y₅Cl₃[AsO₃]₄). By replacing a few percent of YX₃ with EuX₃ or TbX₃, Eu³⁺- or Tb³⁺-doped samples are accessible, which show red or green luminescence upon excitation with ultraviolet radiation. Full article

The COVID-19 pandemic and its associated lockdowns had widespread psycho-social implications globally. However, the unique experiences of young adults in under-researched rural communities, such as Lonely Park in South Africa’s North West Province, remain poorly documented. This study explores the psycho-social well-being of young adults aged 18–24 in the Lonely Park community during the national COVID-19 lockdown from 23 March 2020 to 30 April 2020, with a particular focus on their emotional, psychological, and social experiences. Using a qualitative, phenomenological design rooted in Bronfenbrenner’s Ecological Systems Theory (EST), data were collected from 14 purposively sampled participants through two focus group discussions. Thematic analysis was conducted following Braun and Clarke’s six-phase framework. Ethical clearance was obtained from the Health Research Ethics Committee, and participants provided informed consent. Two main themes emerged, (1) psychological and (2) social well-being. Six sub-themes were identified: (1) negative emotions linked to lockdown, (2) fear of COVID-19 and its consequences, (3) rumination and anxiety, (4) disruption of social and educational routines, (5) coping strategies, and (6) structural limitations of healthcare and support systems. Participants experienced intense fear, boredom, isolation, and a sense of helplessness. Yet, coping mechanisms such as communication, spirituality, exercise, and adherence to public health regulations provided resilience. Some reported depression and financial strain due to job loss and school disruptions. The findings highlight the complex interplay of psychological, emotional, and social stressors in rural young adults during the pandemic. Policymakers and mental health practitioners must prioritise targeted psycho-social interventions for youth in under-resourced rural settings. A call is made for culturally responsive mental health programmes that incorporate local voices, especially in rural African contexts. Full article

The challenges and increasing number of elderly individuals requiring remote monitoring at home highlight the need for technological innovations. This study devised an eHealth mobile application designed to detect abnormal movement behavior and alert caregivers when a lack of movement is detected for an abnormal period. By utilizing the built-in accelerometer of a conventional mobile phone, an application was developed to accurately record movement patterns and identify active and idle states. Fuzzy logic, an artificial intelligence (AI)-inspired paradigm particularly effective for real-time reasoning under uncertainty, was integrated to analyze activity data and generate timely alerts, ensuring rapid response in emergencies. The approach reduced development costs while leveraging the widespread familiarity with mobile phones, facilitating easy adoption. The approach involved collecting real-time accelerometry data, analyzing movement patterns using fuzzy logic-based inferencing, and implementing a rule-based decision system to classify user activity and detect inactivity. This pilot study primarily validated the devised fuzzy logic method and the functional prototype of the mobile application, demonstrating its potential to leverage universal smartphone accelerometers for accessible remote monitoring. Using fuzzy logic, temporal and behavioral symmetry in movement patterns were adapted to detect asymmetric anomalies, e.g., abnormal inactivity or falls. The study is particularly relevant considering lonely individuals found deceased in their homes long after dying. By providing real-time monitoring and proactive alerts, this eHealth solution offers a scalable, cost-effective approach to improving elderly care, enhancing safety, and reducing the risk of unnoticed deaths through fuzzy logic. Full article

Co(II) complexes have shown promising applications as single-molecule magnets (SMMs) in quantum computing and structural biology. Deciphering the Co(II) complexes may facilitate the development of SMM materials. Structural optimizations and calculations of chemical and magnetic properties were performed for Co(II) complexes with a tripodal tetradentate phenolate-amine ligand using MP2/aug-cc-pvdz, MP2/Def2svp, and CASSCF/Def2svp methods. The Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis unravels that Co(II) ions form unusual coordinate quasi-double bonds with ligand oxygen donor atoms, and the bond strengths range from 142.01 kcal/mol to 167.36 kcal/mol but lack further spectrometric evidence. The average 151.70 kcal/mol of the Co(II-O coordinates quasi-double bonds are formed mainly by two lone pairs of electrons from the ligand phenolate donor oxygen atoms. Dispersion forces contribute 24%, 28%, 27%, and 31% to the Co(II)-ligand interaction. Theoretical results of ZFS D, transversal ZFS E, and g-factor agree well with the experimental values. Magnetic susceptibility parameters calculated based on 5 doublet roots account for 85% of results computed 40 doublet roots are specified. These insights may aid in the rational design of SMM materials and Co(II) porphyrin fullerene conjugate for CO₂ electroreduction with superior magnetic properties. Full article

Background and Objectives: This study explores gender variations in the associations between lifestyle choices, mental health, and social behaviors among adolescents in the Transylvania region of Romania. The analysis is based on data obtained through the Global School-Based Student Health Survey (GSHS). Materials and Methods: Data on 900 Romanian adolescents aged 11–18 years were obtained via the GSHS. This study evaluated nutritional statuses through BMI Z-scores, employing World Health Organization (WHO) cut-offs applied to self-reported height and weight; furthermore, it assessed well-being and perceived health; worries and sleep anxiety; social connections through having friends, loneliness, peer support, and emotional support; parental bonding relations; experiences of being bullied; safety and protection factors, including distance learning during the COVID-19 pandemic and testing or vaccinations for COVID-19; and social behaviors, including the use of social networks. A multiple logistic regression was used to predict sleep disturbance anxiety, depending on sex, bullying, cyberbullying, loneliness, social network use, and peer support. Results: Results showed that the majority of the adolescents reported having one or more friends (96.8%), with no significant difference between girls and boys (p = 0.071). There were no statistically significant differences in bullying and cyberbullying experiences between sexes (p = 0.063). Notably, gender disparities exist in both health perceptions and risk behaviors, with girls experiencing higher rates of negative health perceptions, sleep anxiety (p < 0.001), and loneliness (p = 0.011) and boys exhibiting more overweight/obesity (p < 0.001) and school truancy (p = 0.027). According to the results, loneliness is significantly associated with a higher likelihood of sleep-disturbing anxiety (p < 0.001). Students who have experienced cyberbullying are more likely to also experience traditional bullying. Students who feel lonely are more likely to be victims of bullying. Conclusions: This study reveals significant gender disparities in adolescent health, particularly in mental health, risk behaviors, and social support. It highlights the need for gender-specific interventions to address these challenges and promote healthy development. Furthermore, this study emphasizes the importance of social connections, family support, and parental involvement in adolescent well-being. Addressing bullying, promoting mental health awareness, and providing accessible support services are crucial for improving adolescent health in Romania. Full article

Biological control of plant diseases is important for crop production. Botrytis cinerea and Fusarium graminearum are two common pathogenic fungi which result in great harm to crop production, processing, and storage of foodstuffs. Yeasts have unique advantages to be the focus of biological control of plant diseases through multiple mechanisms, including producing volatile organic compounds (VOCs) with inhibitory effect. However, the discontinuous display of inhibitory effect by yeast VOCs on pathogenic fungi is restricted by the conventional confrontation method, and the inhibitory mechanisms are unclear. We developed a new method to detect the inhibitory effect of Saccharomyces cerevisiae (yeast) VOCs on B. cinerea and F. graminearum. Our results showed that the yeast VOCs inhibited the growth and development of B. cinerea and F. graminearum and the strength of the inhibitory effect is positively related to the yeast inoculation amount. We confirmed the inhibition effect of ethyl acetic, one of the main yeast VOCs, on both pathogenic fungi. We further found that the deletion or overexpression of the ethyl acetic synthesis-related genes (ATF1 and/or ATF2) did not change the inhibitory effect much. The overexpression of ATF1 changed the main composition of VOCs. One of the changed VOCs, phenethyl acetic, even had stronger inhibitory effect than ethyl acetic on F. graminearum when they were added alone. These results suggest that the inhibitory effect of yeast VOCs on pathogenic fungi is a complex module. The lonely added individual component of VOCs may inhibit the growth and development of pathogenic fungi, while the partial alternation of VOC composition through gene modification may not be enough to change the total inhibitory effect. Full article

The ability to predict the volume of methane outbursts in coal mines is critical for the prevention of methane outburst accidents and the assurance of coal-mine safety. This paper’s central argument is that existing prediction models are limited in several ways. These limitations include the complexity of the models and their poor ability to generalize. The paper proposes a methane outburst volume-prediction and early-warning method. This method is based on a secondary decomposition and improved TSMixer model. First, data smoothing is achieved through an STL decomposition–adaptive Savitzky–Golay filtering–reconstruction framework to reduce temporal complexity. Second, a CEEMDAN-Kmeans-VMD secondary decomposition strategy is adopted to integrate intrinsic mode functions (IMFs) using K-means clustering. Variational mode decomposition (VMD) parameters are optimized via a novel exponential triangular optimization (ETO) algorithm to extract multi-scale features. Additionally, a refined TSMixer model is proposed, integrating reversible instance normalization (RevIn) to bolster the model’s generalizability and employing ETO to fine-tune model hyperparameters. This approach enables multi-component joint modeling, thereby averting error accumulation. The experimental results demonstrate that the enhanced model attains RMSE, MAE, and R² values of 0.0151, 0.0117, and 0.9878 on the test set, respectively, thereby exhibiting a substantial improvement in performance when compared to the reference models. Furthermore, we propose an anomaly detection framework based on STL decomposition and dual lonely forests. This framework improves sensitivity to sudden feature changes and detection robustness through a weighted fusion strategy of global trends and residual anomalies. This method provides efficient and reliable dynamic early-warning technology support for coal-mine gas disaster prevention and control, demonstrating significant engineering application value. Full article

Drought–flood abrupt alternations (DFAAs) have a greater impact on ecosystems and socioeconomic environments than lone droughts or floods. Despite the significant impact of DFAAs, research has paid little attention to their evolutionary characteristics, particularly in relation to vegetation growth in the Heilongjiang River Basin. Therefore, this study focuses on the Heilongjiang River Basin and employs the DFAA Index to identify and analyze abrupt alternation events from 1970 to 2019. It also examines the annual and interannual distributions of vegetation growth changes from 2000 to 2019, based on the Normalized Difference Vegetation Index. Lastly, it utilizes correlation analysis to investigate the responsive relationship between vegetation growth and DFAA events. The results indicate the following: (1) Within the Heilongjiang River Basin, the number of drought-to-flood events increased over time, whereas the number of flood-to-drought events decreased over time. The frequency of mutation was relatively high in the northern region, low in the eastern region, elevated in spring and summer, and reduced in winter. (2) The Normalized Difference Vegetation Index was lowest in January, highest in July, and approximately 0 during the winter. The vegetation coverage reached its peak during the summer. (3) Vegetation changes in response to DFAAs exhibited a significant time lag. Vegetation changes in spring–summer lagged behind DFAA events by 3–4 months, while in summer–autumn, the lag was approximately 3 months. These results are of great significance for the early warning and prevention of DFAAs in the Heilongjiang River Basin. Full article

This work reports the quasi-atomic orbital analysis of the XC(NO₂)₃ (X=F, Cl, Br, and I) compounds and shows that the interactions between the C-N σ bonds and the lone electron pairs on the halogen atom and oxygen atoms of the nitro groups may contribute to the unusually short C-X distances observed. While the presence of a σ-hole on the halogen atom of the XC(NO₂)₃ compound may not be obvious from the electron density distribution, an analysis of the intermolecular forces of the NH₃--XC(NO₂)₃ complexes suggests a σ -hole interaction between the nitrogen lone pair and halogen atom X (X=Cl, Br, and I) in the linear N--X-C configuration, where electrostatics and exchange forces dominate. The linear N--X-C bond in these systems is shown to have a noticeable covalent character, which is captured in the polarization energy term. Complexation with the ammonia nucleophile is shown to affect the electronic structure of the entire compounds, notably the oxygen/halogen lone electron pairs interactions with the C-N σ bonds. Full article

Background/Objectives: The aim of our study was to examine the influence of family structure and the number of siblings on psychological problems and illness-related emotions in children and adolescents with inflammatory bowel disease (IBD) and the relationship between emotional coping in children and parents. Methods: CEDNA is a nationwide German online and paper-based questionnaire administered between October 2021 and April 2022. Adolescents with IBD, aged 12 to 17 years, and parents of children aged 0 to 17 years with diagnosed IBD, were included. SAS was used for descriptive statistics and logistic regression analysis was performed using R Studio (PBC; 2023.06.0 + 421). Results: 1158 participants (450 adolescents and 708 parents) were included in the study. A two-parent household could not be associated with mental illness as a comorbidity in pediatric IBD patients (p = 0.06) but was shown to decrease the risk of sadness (p < 0.001), helplessness (p < 0.01), feeling left alone and lonely (p < 0.05). A single-parent household increased the risk of sadness (p = 0.001), helplessness (p = 0.002), and loneliness (p = 0.006). Having one to two siblings was associated with a lower risk of mental health problems (p = 0.03) and reduced anxiety (p = 0.005). An association was also found between parents and children’s emotional coping skills. Conclusions: Further research on family structure and siblings in pediatric IBD is needed, given the potential impact on children’s psychological well-being. Full article