Search Results (488)

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

Background: COVID-19-associated coagulopathy (CAC) is a complex condition, with high rates of thrombosis, high levels of inflammation markers and hypercoagulation (increased levels of fibrinogen and D-Dimer), as well as extensive microthrombosis in the lungs and other organs of the deceased. It resembles, without being identical, other coagulation disorders such as sepsis-DIC (SIC/DIC), hemophagocyte syndrome (HPS) and thrombotic microangiopathy (TMA). Platelets (PLTs), key regulators of thrombosis, inflammation and immunity, are considered an important risk mediator in COVID-19 pathogenesis. Platelet index MPV/PLT ratio is reported in the literature as more specific in the prognosis of platelet-related systemic thrombogenicity. Studies of MPV/PLT ratio with regards to the severity of COVID-19 disease are limited, and there are no references regarding this ratio to the outcome of COVID-19 disease at specific time points of hospitalization. The aim of this study is to evaluate the relationship of COVID-19 mortality with the red cell distribution width–coefficient of variation (RDW-CV), platelets and MPV/PLT ratio parameters. Methods: Values of these parameters in 511 COVID-19 hospitalized patients were recorded (a) on admission, (b) as mean values of the 1st and 2nd week of hospitalization, (c) over the total duration of hospitalization, (d) as nadir and zenith values, and (e) at discharge. Results: As for mortality (survivors vs. deceased), statistical analysis with ROC curves showed that regarding the values of the parameters on admission, only the RDW-CV baseline was of prognostic value. Platelet parameters, absolute number and MPV/PLT ratio had predictive potential for the disease outcome only as 2nd week values. On the contrary, with regards to disease severity (mild/moderate versus severe/critical), only the MPV/PLT ratio on admission can be used for prognosis, and to a moderate degree. On multivariable logistic regression analysis, only the RDW-CV mean hospitalization value (RDW-CV mean) was an independent and prognostic variable for mortality. Regarding disease severity, the MPV/PLT ratio on admission and RDW-CV mean were independent and prognostic variables. Conclusions: RDW-CV, platelets and MPV/PLT ratio hematological parameters could be of predictive value for mortality and severity in COVID-19 disease, depending on the hospitalization timeline. Full article

Background/Objectives: An increasing number of apparently healthy individuals are adhering to a gluten-free lifestyle without any underlying medical indications, although the evidence for the health benefits in these individuals remains unclear. Although it has already been shown that a low- or gluten-free diet alters the gut microbiota, few studies have examined the effects of this diet on healthy subjects. Therefore, our aim was to evaluate whether and how a prolonged low-gluten diet impacts gut microbiota composition and function in healthy adults, bearing in mind its intimate link to the host’s health. Methods: Forty healthy volunteers habitually consuming a gluten-containing diet (HGD, high-gluten diet) were included in a randomised control trial consisting of two successive 8-week dietary intervention periods on a low-gluten diet (LGD). After each 8-week period, gut microbiota composition was assessed by 16S rRNA gene sequencing, molecular quantification by qPCR, and a cultural approach, while its metabolic capacity was evaluated through measuring faecal fermentative metabolites by ¹H NMR. Results: A prolonged period of LGD for 16 weeks reduced gut microbiota richness and decreased the relative abundance of bacterial species with previously reported potential health benefits such as Akkermansia muciniphila and Bifidobacterium sp. A decrease in certain plant cell wall polysaccharide-degrading species was also observed. While there was no major modification affecting the main short-chain fatty acid profiles, the concentration of the intermediate metabolite, ethanol, was increased in faecal samples. Conclusions: A 16-week LGD significantly altered both composition and metabolic production of the gut microbiota in healthy individuals, towards a more dysbiotic profile previously linked to adverse effects on the host’s health. Therefore, the evaluation of longer-term LDG would consolidate these results and enable a more in-depth examination of its impact on the host’s physiology, immunity, and metabolism. Full article

Background/Objectives: Coercive measures remain a common practice in mental health, despite ethical concerns, potential risks, and uncertain efficacy. Mental healthcare workers’ (MHCWs) attitudes toward coercion can influence their use. However, research in Italy is limited. This study aimed to investigate Italian MHCWs’ attitudes toward coercion and their associations with sociodemographic and professional characteristics. Methods: A cross-sectional study was conducted on 356 MHCWs from a mental health department in Southern Italy. Participants completed the Staff Attitude to Coercion Scale (SACS), which assesses negative, pragmatic, and positive attitudes toward coercion. Descriptive statistics (i.e., frequencies, percentages, means) and bivariate analyses (i.e., one-way ANOVA) were used to explore the associations between variables. Results: The majority of participants were male (56.7%), nurses (50.3%), and worked in acute psychiatric settings (52%), with a mean age of 51.08 years (±10.59) and 13.74 years (±12.14) of experience in mental health. Attitudes differed significantly according to age, sex, professional role, and work setting. More negative attitudes were found among staff in residential settings and non-caring roles (p < 0.001). Pragmatic attitudes were lower among older staff (p = 0.012) and among those in residential settings and non-caring roles (p < 0.001). Positive attitudes were higher among males (p = 0.001), nursing staff (p < 0.001), and staff in acute settings (p = 0.049). Conclusions: Italian MHCWs reported different attitudes toward coercion, which was influenced by personal and professional factors. These findings highlight the need for targeted interventions and policy strategies to promote attitudinal change, particularly in settings where positive attitudes are prevalent. Full article

Previous research on geopolymers has not fully established their porosity and its influence on the matrix structure, as well as its relevance to mechanical and durability properties, supporting the potential of this material as a sustainable alternative to traditional construction materials. In this study, three geopolymer mortar (GM) mixtures were prepared: the first was obtained with fly ash (FA) without mechanical grinding (GM_FA), the second with FA that required crushing and sieving through a #200 sieve (GM_FA_200), and the third was a GM with FA that required crushing and sieving through a #325 sieve (GM_FA_325). The main objective was to evaluate the porosity of the geopolymeric paste and the interfacial transition zone (ITZ) between the aggregate and the geopolymerization products. Due to the susceptibility of this area to develop higher porosity, which leads to reduced mechanical properties and durability, it has become a significant focus of investigation in materials such as concrete and mortar. These analyses were carried out using physical adsorption of gases (PAG), and a methodology for image analysis of GM microporosity was implemented using micrographs obtained from a scanning electron microscope (SEM) and processed with the NI Vision Assistant 8.6 software (VA). The results from both image analysis and physical adsorption demonstrated that the GM_FA_325 matrix exhibited 19% less porosity compared to the GM_FA matrix. The results confirmed that GMs are predominantly mesoporous. It was observed that GM_FA_325 has the lowest total porosity, resulting in a denser and more compact microstructure, which is a key factor in its mechanical performance and potential applications as an eco-friendly construction material for coatings and precast elements such as blocks, panels, and similar products. In addition, image analysis using VA is highlighted as an efficient, cost-effective, and complementary technique to PAG, enabling robust results and resource optimization. Full article

Exercise interventions are increasingly recognized as effective non-pharmacological strategies to improve clinical outcomes in patients with breast cancer. This review provides a comprehensive framework linking physical activity with breast cancer risk reduction, disease progression, and survivorship. We first outline the robust epidemiological evidence demonstrating that regular exercise significantly reduces breast cancer incidence, recurrence, and disease-specific mortality. The review then delves into the molecular mechanisms by which exercise exerts its protective effects, including modulation of sex hormones, metabolic hormones, systemic inflammation, oxidative stress, circulating microRNAs, and breast cancer-related DNA methylation. Furthermore, we summarize findings from clinical trials evaluating the effects of exercise on cardiorespiratory fitness, functional capacity, and quality of life in breast cancer patients. Emerging research on the synergistic potential of exercise with conventional cancer treatments and bioactive dietary components, particularly polyphenols such as saffron and curcumin, is also discussed. Finally, we present evidence-based exercise recommendations tailored to breast cancer patients, emphasizing the importance of individualized prescriptions to optimize safety and therapeutic benefit. Collectively, this review highlights the multifaceted role of exercise in breast cancer prevention, treatment, and survivorship. Full article

Microbial contamination and biofilm formation on food contact materials (FCMs) represent critical challenges within the food supply chain, compromising food safety and quality while increasing the risk of foodborne illnesses. Traditional materials often lack sufficient microbial resistance to contamination, creating a high demand for innovative antimicrobial surfaces. This study assessed the effectiveness of a nanosized deposited SiO_xC_yH_z coating approved for food contact on 3D-printed polyamide 12 (PA12) disk substrates, aiming at providing antimicrobial and anti-biofilm functionality to mechanical components and packaging material in the food supply chain. The coating was applied using plasma-enhanced chemical vapor deposition (PECVD) and characterized through Fourier-transform infrared spectroscopy (FTIR), Raman spectroscopy, thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and contact angle measurements. Coated PA12 samples exhibited significantly enhanced hydrophobicity, with an average water contact angle of 112.9°, thus improving antibacterial performance by markedly reducing bacterial adhesion. Microbiological assays revealed a significant (p < 0.001) bactericidal activity (up to 4 logarithms after 4 h, ≥99.99%) against Gram-positive and Gram-negative bacteria, including notable foodborne pathogens such as L. monocytogenes, S. aureus, E. coli, and S. typhimurium. SiO_xC_yH_z-coated PA12 surfaces exhibited strong antibacterial activity, representing a promising approach for coating additive-manufactured components and equipment for packaging production in the food and pharmaceutical supply chain able to enhance safety, extend product shelf life, and reduce reliance on chemical sanitizers. Full article

Background: Disparities in neuro-oncological care between high-income and low- and middle-income countries (LMICs) are well documented, yet region-specific data from Latin America remain limited. This review evaluates epidemiologic trends, access to care, and systemic challenges in brain tumor management across Latin American LMICs, using Argentina as a case study. Methods: A systematic review of peer-reviewed literature was conducted focusing on brain tumor incidence, mortality, risk factors, and availability of diagnostics and treatments in Latin America. Socioeconomic, cultural, and systemic barriers were also analyzed. Results: Latin America exhibits some of the highest global brain tumor mortality rates, with Brazil reporting age-standardized rates exceeding 4.5 per 100,000. Glioblastomas are frequently diagnosed at younger ages, often in the fifth decade of life, compared to the global average. Meningioma incidence has increased by 15–20% over the last decade, yet region-wide data remain fragmented. Access to neuroimaging, neurosurgery, radiotherapy, and chemotherapy is limited, with up to 60% of patients relying solely on under-resourced public health systems. Less than 30% of hospitals in rural areas have MRI availability, and continuous professional training is infrequent. Innovative adaptations, such as awake craniotomy, are used in some LMIC centers in response to equipment scarcity. Conclusions: Brain tumor care in Latin America is hindered by limited epidemiological data, restricted access to diagnostics and treatment, and insufficient workforce training. Targeted investments in healthcare infrastructure, international educational collaborations, and policy-level reforms are critical to reducing disparities and improving outcomes in neuro-oncology across the region. Full article

Purpose: This study explored the potential long-term effects of academic-related variables, including academic satisfaction, college degree attainment, unmet academic accommodation needs, and demographic characteristics on the job and career satisfaction of adults with disabilities using modern machine learning techniques. Method: Participants (n = 409) completed an online survey assessing these constructs. All had a disability or chronic health condition, had attended school in the U.S. throughout their K-12 education, and were between 19 and 86 years of age. Results: The random forest models had 68.6% accuracy in correctly identifying job satisfaction and 72.5% accuracy in correctly identifying career satisfaction. When using mean decrease in impurity (MDI) and permutation importance to identify statistical predictors, academic satisfaction was the most important predictor of job satisfaction in both MDI and permutation importance, while unmet academic accommodations was the fourth highest predictor for MDI behind academic satisfaction, disability level, and age, but ahead of other demographic variables and college degree status, and the second highest predictor of job satisfaction in permutation importance. For career satisfaction, academic satisfaction accounted for the highest MDI, while unmet academic accommodations ranked fourth. For permutation importance, academic satisfaction ranked first, and unmet academic accommodations ranked fifth behind academic satisfaction, age, college degree status, and disability level. Discussion: Meeting the academic accommodation needs of disabled students is linked with lasting vocational success. This study underscores the associations between unmet academic accommodation needs and future job and career satisfaction, illuminated using novel machine learning techniques. To our knowledge, this is the first investigation of the potential long-term associations between unfulfilled accommodation needs and future job and career satisfaction. Full article

Malignant Triton Tumors (MTTs) are rare, high-grade malignant peripheral nerve sheath tumors (MPNSTs) frequently associated with Type 1 Neurofibromatosis (NF1). NF1, an autosomal dominant disorder, predisposes approximately 10% of affected individuals to developing MPNSTs, with 50% of these tumors occurring in NF1 patients, while others arise sporadically or in association with radiation exposure. MTTs predominantly affect anatomical regions rich in large nerves, such as the limbs, spinal root, and cranial nerves. Mediastinal presentations are exceedingly rare, posing significant diagnostic and therapeutic challenges. Current treatment strategies include surgical resection, chemotherapy, radiotherapy, and lung-sparing procedures for metastatic disease. Molecular studies of MPNSTs have revealed that NF1 mutations lead to dysregulation of the RAS signalling pathway, while epigenetic alterations (e.g., SUZ12/EED mutations) further contribute to tumor progression. Dysregulated phylogenetically conserved pathways, including Wnt/beta-catenin and non-canonical SHH signalling, play a role in sarcoma progression and Schwann cell transformation. Recent advances in miRNA research highlight their involvement in tumor invasion and progression, with dysregulated miRNA expression and chromatin remodeling contributing to the pathogenesis of these neoplasms. However, the distinct molecular profiles for MTTs remain incompletely understood. Further investigation of the genetic and epigenetic landscape is essential for improving our understanding and identifying potential therapies. Herein, we present a single-center retrospective case series of three patients with an intrathoracic triton tumor treated at our University Hospital between 2000 and 2024, serving as a starting point for future insights into MPNST pathobiology. Full article

Background: MicroRNAs (miRNAs) in follicular fluid (FF) are being recognized as important regulators of ovarian function and biomarkers of reproductive success. This systematic analysis investigates FF-derived miRNAs and their relationship to polycystic ovarian syndrome (PCOS) and in vitro fertilization (IVF) outcomes. Methods: Following PRISMA recommendations, 21 original papers were included that looked at miRNA expression in FF or granulosa cells from women undergoing IVF, with or without PCOS. The study design, miRNA profiling methodologies, IVF protocols, and clinical results were gathered and analyzed. Results: Across the investigations, 15 miRNAs were regularly implicated, including miR-132, miR-320, miR-222, miR-224, miR-146a, and miR-93. Downregulation of miR-132 and miR-320 was consistently detected in PCOS and associated with decreased steroidogenesis. Elevated miR-222 and miR-146a were linked to insulin resistance and follicular inflammation. In IVF, miR-202-5p and miR-224 were elevated in high-quality embryos and successful cycles, indicating that they have roles in granulosa cell proliferation and estrogen synthesis. MiRNA dysregulation was linked to critical pathways, such as PI3K/AKT, NF-κB, TGF-β, and WNT. Conclusions: Specific FF miRNAs are consistently linked to PCOS pathogenesis and IVF effectiveness. Their use into noninvasive biomarker panels could improve embryonic selection and personalized reproductive care. Full article

As LLMs demonstrate remarkable reasoning capabilities, LLM-powered agents are seen as key to achieving AGI (Artificial General Intelligence) and are widely applied in various complex real-world scenarios. Nevertheless, existing studies still suffer from missing steps, deviated task execution and incorrect tool selection. This paper proposes CoReaAgents, a collaboration and reasoning framework based on LLM-powered agents, comprising the Plan Agent (as a precise task planner), the Tool Agent (as a proficient tool user) and the Reflect Agent (as an objective task evaluator). These agents simulate the social division of labor and synergistic cooperation to enable each agent to perform different specialized capabilities in order to solve complex tasks together. Through the above mechanism, the CoReaAgents framework has the skills of prospective thinking and flexible execution. To verify the capability of the CoReaAgents framework, this paper conducts extensive experiments on different complex tasks such as tool learning, math reasoning and multi-hop QA. The results show that the CoReaAgents framework outperforms various comparative methods in both quantity and quality. Full article

In this study, we present an innovative optical biosensor designed to detect Interleukin-6 (IL-6), a pivotal cytokine implicated in many pathological conditions. Our sensing platform is made of a porous silicon (PSi) nanostructured substrate modified with a thin (~5 nm) molecularly imprinted polymer (MIP), ensuring both high specificity and sensitivity toward IL-6 molecules. The fabrication process involves electrochemical etching of silicon chips to create the porous structure, followed by the electrodeposition of the MIP, which is tailored to selectively bind the IL-6 target. Extensive testing over a broad IL-6 concentration range demonstrates a clear, proportional optical response, yielding a limit of detection (LOD) of 13 nM. Moreover, the biosensor robustness was verified by evaluating its performance in bovine serum, a complex biological matrix. Despite the presence of various interfering components, the sensor maintained its selectivity and displayed minimal matrix effects, underlining its practical applicability in real-world diagnostic scenarios. Full article

With over 720,000 people dying by suicide each year and many more attempting it, suicide events have become a significant public health concern. Individuals with depressive disorders are particularly at risk, as suicide is one of the most common preventable causes of death in this group. The aim of this study was to examine the relationship between psychological pain, health-related quality of life, and suicidal tendencies among patients with depressive disorder. The study included 73 patients hospitalized in the psychiatric ward at a University Psychiatric Hospital. To assess the observed variables, a battery of questionnaires was administered, consisting of a sociodemographic questionnaire and validated instruments, including Suicide Screening Questionnaire—Self Rating (SSQ-SR), the 36-Item Short Form Health Survey (SF-36), and the Mee–Bunney Psychological Pain Assessment Scale (MBPPA). A significant association was found between psychological pain, health-related quality of life, and suicidal tendencies. Higher levels of psychological pain and greater impairment in physical, emotional, and social functioning were associated with a higher presence of risk factors for suicide. Psychological pain, emotional well-being, and physical functioning were significant predictors of suicidal tendencies in individuals with depressive disorders. The results of this study emphasize the importance of psychological pain and specific aspects of health-related quality of life in both the prevention and treatment of suicide. Full article

Background: Endometrial receptivity is crucial for successful embryo implantation in assisted reproductive technologies (ARTs). MicroRNAs (miRNAs), long non-coding RNAs (lncRNAs), and circular RNAs (circRNAs) have emerged as important post-transcriptional regulators of endometrial function, although their diagnostic and molecular functions are poorly understood. Methods: A systematic review was conducted following PRISMA 2020 principles and registered in PROSPERO (CRD420251001811). We looked at 28 peer-reviewed publications published between 2010 and 2025 that used endometrial tissue, blood, uterine fluid, saliva, and embryo culture medium to study miRNAs and other non-coding RNAs in endometrial receptivity, recurrent implantation failure (RIF), and infertility. Results: MiRNAs like miR-145, miR-30d, miR-223-3p, and miR-125b influence implantation-related pathways such as HOXA10, LIF-STAT3, PI3K-Akt, and Wnt/β-catenin. Dysregulated expression profiles were linked to inadequate decidualization, immunological imbalance, and poor angiogenesis. CeRNA networks that include lncRNAs (e.g., H19 and NEAT1) and circRNAs (e.g., circ_0038383) further regulate miRNA activity. Non-invasive biomarkers derived from plasma, uterine fluid, and embryo media showed high prediction accuracy for implantation outcomes. Conclusions: MiRNA signatures offer a functional and diagnostic blueprint for endometrial receptivity. This systematic review provides a timely and thorough synthesis of the existing literature, with the goal of bridging the gap between molecular discoveries and therapeutic applications. By emphasizing both the mechanistic importance and diagnostic value of certain miRNA signatures, it paves the way for future precision-based techniques in embryo transfer and endometrial assessment in ART. Full article