Distinct Values Research Articles

Machine learning applied to arbovirus genome classification

The aim of this study was to evaluate the use of machine learning for rapid classification of arbovirus genomes. Initially, genomic sequences of 17 distinct arboviruses were collected from the National Center for Biotechnology Information database. Genomic sequences of arthropod-specific virus were also collected to compose a separate class, representing a “non-arbovirus” group. Subsequently, the sequences were transformed into canonical k-mer frequencies and used to train supervised classification algorithms such as multinomial logistic regression, decision tree, k-nearest neighbors, support vector machine and multilayer perceptron. Six distinct k-mer values within a range of 1 to 6 were also evaluated. Using 10-fold cross-validation as an evaluation method, the supervised model created with multilayer perceptron and k-mer value 6 presented the best average accuracy (98.8%). In order to evaluate the generalization capacity of the best model obtained, classifications were made using genomic sequences not present in the training database. The results of the classifications generated were evaluated by the metrics of accuracy, precision, recall and f1-score, obtaining values of 98.5%, 98.3%, 98.2% and 98.2%, respectively. Finally, the best model obtained was incorporated into a web application, which allows the input of virus genomic sequences and their classification. The application is freely available for use at https://arbovirusclassifiercanonicalkmer-8fndyh3tsxrftmr66jmpas.streamlit.app.

Realgar induces apoptosis by inhibiting glycolysis via regulating STAT3 in myelodysplastic syndrome.

Myelodysplastic syndrome (MDS) is a hematologic malignancy that presents a unique opportunity for traditional Chinese medicine (TCM) to demonstrate its distinctive value in treatment. Realgar, a component of TCM, has shown notable potential in alleviating clinical symptoms and improving the prognosis of MDS patients. However, the precise mechanisms underlying the treatment of MDS with realgar, particularly its effects on apoptosis-related pathways, remain poorly understood. This study aimed to investigate the pro-apoptotic effects of realgar on MDS cells and to elucidate the underlying molecular mechanisms. We explored the targets and pathways of realgar's action on MDS using public databases, network pharmacology, and RNA sequencing. Various techniques were employed, including cell transfection, Cell Counting Kit-8 (CCK8) assay, Cellular Thermal Shift Assay (CETSA), Western blot (WB), quantitative real-time polymerase chain reaction (qRT-PCR), apoptosis and glycolysis assays, extracellular acidification rate (ECAR) and oxygen consumption rate (OCR) measurements, dual-luciferase reporter assays, and immunofluorescence, to investigate the regulatory mechanisms involving STAT3, glycolysis, and apoptosis. Hematoxylin and eosin (HE) staining was utilized to assess realgar's toxicity. Apoptosis and hemogram changes were analyzed to evaluate the therapeutic effect of realgar on MDS transgenic mice. Analysis of public data indicated that apoptosis-related genes are downregulated in MDS patients. Through network pharmacology, CETSA, qRT-PCR, WB, apoptosis assays, and STAT3 overexpression cell transfection, we discovered that realgar inhibits STAT3 expression. Further investigation using RNA sequencing suggested that glycolysis may be involved in this regulatory process. ECAR, OCR, glycolysis assays, WB, apoptosis assays, and glycolysis inhibitor experiments demonstrated that glycolytic function was inhibited. Additionally, GLUT1 expression was significantly decreased, and GLUT1 was found to directly bind to STAT3. In MDS mice, realgar treatment enhanced levels of white blood cells, red blood cells, hemoglobin, and platelets, and increased apoptosis levels. Our findings reveal that realgar exerts a significant pro-apoptotic effect on MDS cells in both in vivo and in vitro models. Further analysis demonstrated that realgar regulates the STAT3 pathway, leading to GLUT1-mediated glycolysis alterations that ultimately induce apoptotic pathways, as represented by BCL2. These discoveries hold significant implications for the basic research and clinical diagnosis and treatment of MDS.

Unraveling the impact of drought on waterbird community assembly and conservation strategies.

Drought-induced changes in lakes and wetlands, crucial habitats for migratory waterbirds, can greatly affect their foraging and habitat utilization. These changes lead to a decline in waterbird species richness and may cause shifts in community assembly from phylogenetic and functional trait perspectives. However, a gap remains between ecological mechanistic research about these changes and conservation applications. Here, we investigated the drought-induced phylogenetic and functional changes in waterbird community assembly over the past two decades in two lakes of the Yangtze River basin. Additionally, we explored conservation strategies to address the requirements of waterbirds during droughts. Results showed that drought modified the hydrological and phenological characteristics of waterbird habitats, leading to a decrease in waterbird species richness. As drought severity increased, species that were sensitive to drought exhibited higher degrees of similarity compared to the local species pool, leading to more divergent community assembly patterns. The mean values of body mass, tarsus length, bill length, and Evolutionary Distinctiveness (ED) of waterbirds in both lakes increased significantly under high drought stress conditions. Dabbling birds and small waders, which rely on habitats most susceptible to drought-induced changes, were the primary habitat preference groups affected. Additionally, the diversification of phylogenetic and functional community assembly in waterbirds and their associated conservation requirements indicated that effective conservation measures for waterbirds must be diversified and tailored to the specific requirements of different waterbird species, thereby preventing the loss of ecosystem functions and services. Conservation strategies should also be adaptive by incorporating periodic evaluations and adjustments to respond to environmental pressures and thus ensuring sustained effectiveness. In conclusion, as drought severity increased, functional and phylogenetic trait differences between species became more significant. Therefore, conservation measures must be diversified, tailored, and adaptive to effectively respond to the changes in waterbird community assembly.

NANOPARTICLE SHAPE-FACTOR ANALYSIS ON RADIATIVE TERNARY NANOFLUID (MWCNT - Cu - SiO2/H2O) FLOW WITH NON-FOURIER THERMAL FLUX

Research into the flow dynamics and heat-transfer characteristics of nanofluids has become notably important owing to their remarkable applications in engineering fields. The ternary hybrid nanofluid, an innovative class of nanofluid, has gathered attention for its improved thermal performance and finds applications in automotive cooling, thermal management, vehicle heaters, etc. Driven by these applications, the current investigation seeks to scrutinize the thermal transfer features of (MWCNT - Cu - SiO<sub>2</sub>/H<sub>2</sub>O) ternary hybrid nanofluid past an elongated surface in a Darcy-Forchheimer medium. The influence of Cattaneo-Christov heat flux and dissipative effects are also examined. Further, the present study introduces a novel aspect by conducting a shape-factor analysis. An application of the appropriate similarity variables is made to transmute the governing system of partial differential equations (PDEs) into an ordinary differential system, whose numeric solution is determined by the bvp4c package in MATLAB. Amplifying the mixed convection and heat-generation parameter serves to augment the thermal profile of MWCNT - Cu - SiO<sub>2</sub>/ H<sub>2</sub>O. The thermal transfer rate enhances with the strengthening of the thermal relaxation parameter and radiation parameter. Also, the ternary hybrid nanofluid MWCNT - Cu - SiO<sub>2</sub>/H<sub>2</sub>O incorporating lamina-shaped nanoparticles demonstrates a notable 15.21-19.6% surge in heat-transfer rate compared to platelet-shaped ones across distinct Rd values. Moreover, to verify the computational findings, a comparison was conducted with previously reported results, showing a high degree of agreement.

Association between adipose deposition and mortality among adults without major cardiovascular risk factors

AimTo examine the association between adiposity and mortality in U.S. adults without major cardiovascular risk factors. MethodsWe analyzed 7,948 adults (4,123 women, 3,825 men) aged > 20 years from the National Health and Nutrition Examination Survey (2003-2004, 2011-2016). Participants with cardiovascular disease, estimated glomerular filtration rate < 60 ml/min/1.73m², diabetes, hypertension, or pregnancy were excluded. Adiposity measures, assessed by dual-energy x-ray absorptiometry or anthropometrics, included android and gynoid fat mass index (FMI), android-to-gynoid ratio, subcutaneous, abdominal, and visceral FMI, BMI, and waist circumference. We employed multivariable-adjusted Cox regression and restricted cubic spline models to assess sex-specific associations between adiposity measures and all-cause mortality. ResultsOver a median follow-up of 7.8 years, there were 83 deaths among women and 119 among men. In women, BMI, waist circumference, and gynoid FMI showed non-linear associations with all-cause mortality, while in men, BMI, waist circumference, and android-to-gynoid ratio demonstrated similar non-linear associations. In final adjusted models, a 1-SD increase in visceral, subcutaneous, and abdominal FMI among women was associated with 61% (HR 1.61, 95% CI 1.17-2.21), 87% (HR 1.87, 95% CI 1.13-3.08), and 89% (HR 1.89, 95% CI 1.19-2.99) higher mortality risk, respectively. Women in the lowest tertile of gynoid FMI had an 82% (HR 1.82, 95% CI 1.01-3.29) higher mortality risk compared to those in the middle tertile. In final adjusted models, a 1-SD increase in gynoid, android, visceral, subcutaneous, and abdominal FMI among men was associated with 30% (HR 1.30, 95% CI 1.02-1.65), 41% (HR 1.41, 95% CI 1.09-1.83), 54% (HR 1.54, 95% CI 1.04-2.28), 69% (HR 1.69, 95% CI 1.25-2.29), and 76% (HR 1.76, 95% CI 1.25-2.48) higher mortality risk, respectively. Additionally, men in the middle tertile of android-to-gynoid ratio had a 2.68-fold higher mortality risk compared to the lowest tertile, while men in the highest BMI tertile had an 83% higher mortality risk compared to the lowest tertile. Sex modified the association between gynoid FMI and mortality (P-interaction = 0.008). ConclusionImaging-based adiposity measures have distinct prognostic value for mortality beyond traditional anthropometrics in adults without cardiovascular risk factors.

Assessing Health Worker Opinions on Hybrid Professionalism in Clinical Directorates: Including Clinicians in Management

Background: The introduction of managerial reforms in healthcare has disrupted traditional professional values, including autonomy and patient-centered care. A model of "hybrid" professionalism, where healthcare workers assume managerial roles, has been proposed to bridge the gap between clinical practice and management. This model aims to enhance collaboration, efficiency, and clinical governance while reducing tensions between distinct professional values. Despite its potential benefits, the implementation of hybrid professionalism in healthcare settings has been met with challenges. This study explores healthcare workers' perceptions of hybrid professionalism within clinical directorates (CDs), focusing on the attitudes of those in managerial roles. Methods: This study was conducted within a large urban healthcare system with approximately 8,000 healthcare professionals. A 65-item questionnaire, including Likert-scale and open-ended questions, was distributed to healthcare workers in managerial roles, including unit managers and department heads. The survey focused on leadership roles, interprofessional collaboration, decision-making, and the impact of managerial responsibilities on clinical practice. A total of 123 healthcare professionals participated in the study, with responses analyzed using both quantitative and qualitative methods. Results: Quantitative results revealed that 65% of unit managers and 60% of supervisors agreed on the effectiveness of hybrid roles in leadership, with 70% of both groups emphasizing the importance of teamwork between clinical and managerial staff. However, some uncertainty was expressed regarding the long-term sustainability of hybrid roles, particularly in balancing clinical and managerial tasks. The qualitative analysis identified key themes such as the challenges of balancing clinical expertise with managerial responsibilities, the importance of collaboration, and the benefits and complexities of hybrid roles. Conclusion: Hybrid professionalism in healthcare, particularly within clinical directorates, is seen as beneficial for organizational governance and collaboration. However, there are concerns about the sustainability and workload associated with hybrid roles. The findings suggest that hybrid managers need strong leadership skills and that team-based approaches, particularly with the support of nursing managers, are essential for the successful integration of clinical and managerial responsibilities. Future studies should explore the impact of hybrid roles in other healthcare contexts and organizational structures.

SchNet_IIA: Potential Energy Surface Fitting by Interatomic Interactions Attention Based on Transfer Learning Analysis.

Machine learning methods for fitting potential energy surfaces and molecular dynamics simulations are becoming increasingly popular due to their potentially high accuracy and savings in computational resources. However, existing application models often rely on basic architectures like artificial neural networks (ANNs) and multilayer perceptron (MLP), lagging behind cutting-edge technologies in the machine learning domain. Furthermore, the complexity of current machine learning frameworks leads to reduced interpretability and challenges for improvement. Herein, we developed a model analysis method based on the feature-representation-transfer approach to directly perform causal analysis on the model. The internal action characteristics of the SchNet framework were successfully analyzed by constructing different source tasks and we proposed interatomic interactions attention for the characterization of doped clusters. The accuracy was enhanced by 0.015 eV/atom compared to the original model. The ability to capture atomic environment characteristics was significantly improved. The activation function was smoothed resulting in a 23.47% increase in the convergence speed. Our SchNet_IIA model demonstrates superior performance in capturing interatomic interactions. Our present work is of distinctive value as it presents a novel transfer learning analysis method with the potential to evolve into a generalized model analysis approach, providing new perspectives and solutions for the field.

Fourier Transform Infrared Spectroscopy (FTIR) Spectral evaluation in Chrysanthemum flower species

The current study's goal was to identify the various functional groups found in chrysanthemums using FTIR Spectroscopy. The FTIR spectrometer identifies 4000 series, with a scan range of 4,000–400 cm-1, was used to perform the FTIR analysis. The presence of distinct peak values with various useful mixtures of functional groups, including hydroxy groups (̶ OH), aliphatic, metal carbonyl, alcohols (̶ OH), nitrile (̶ C≡N), phenols, alkynes (CnH2n-2), ketones (C=O), carboxylic acids (R−COOH), amides (̶ CONH2), and aromatics, was revealed by FTIR spectroscopy analysis. The FTIR investigation showed that there were 17 functional groups in the chrysanthemum flowers. The FTIR spectra showed an intense peak that correlated to the hydroxyl groups, phenol alcohol, and aromatic compounds, respectively, at 3348.42 cm-1, 1380.02 cm-1, and 1480.33 cm-1 in various flower species. In light of this, the current investigation found that, in contrast to the extracts of Chrysanthemum flowers' leaves and bark, the flower extract had robust functional groups. FTIR spectroscopy was used to quantitatively analyse the flavonoids, phenolic acids, anthocyanins, and carotenoids present in the nine chrysanthemum cultivars' flowers.

Linguistic Construction and Cultural Meaning of Sinjang and Semekan: An Anthropological Linguistic Study

Labuhan Hajad Dalem is an essential ritual in Yogyakarta’s tradition; its primary purpose is to represent prayer and to perform a spiritual cleansing by placing and leaving out some offerings in particular sacred places. Sinjang and Semakan are some of the components of the offering in the form of long fabric to cover a body part. Each Sinjang and Semekan has a different name to illustrate a distinct Javanese cultural value. The naming process is influenced by cultural background, which is Javanese culture, and the name composition is also affected by Javanese linguistic structure. Therefore, this research aims to answer how the naming creation of the offerings, especially the sinjang and semekan using syntactic analysis and an anthropological linguistics approach. Six names of sinjang and fourteen names of semekan are sourced from the official Keraton Ngayogyakarta Hadiningrat website. The names follow a pattern of phrases and clauses, primarily consisting of noun phrases constructed with single nouns, adjectives, or combinations thereof. Additionally, there are clauses formed by noun-verb or noun-verb phrase structures. These names predominantly feature nouns related to various birds and plants, such as perkutut (zebra dove) and mlathi (jasmine), alongside adjectives representing colors like gadhung (green) and pethak (white). Using these colors in the names signifies gratitude, often towards nature and the divine. Furthermore, the selection of nouns reflects the daily life and surroundings of the Yogyakarta community, highlighting the interconnectedness between cultural traditions and local environments.

An autoethnography of quasi-autoethnographies: seeding an impact-oriented complex collaborative research ecosystem

ABSTRACT Complex collaborative research, involving many partners, presents a significant challenge for understanding the distinctive role and value of design research. Participants find it increasingly difficult to extrapolate who did what, and what happened as a result of each intervention. In these contexts, the person with the most complete view of design research is the design researcher themselves, and autoethnography can be a useful ally when other forms of evidence are inaccessible. This paper presents an autoethnography exploring how my quasi-autoethnographies have allowed me to build my ‘academic voice’. In the process I reflect on seven roles of autoethnography, taken from the literature, and expand with three roles based on my experiences of building a research ecosystem using an autoethnography-before-impact approach.

FORMATION OF THE INTERCULTURAL COMMUNICATIVE COMPETENCE OF STUDENTS IN FOREIGN LANGUAGE LEARNING PROCESS

The article highlights developing the intercultural dimension in language teaching, involving recognising that the aims are: to give learners intercultural competence as well as linguistic competence; to prepare them for interaction with people of other cultures; to enable them to understand and accept people from other cultures as individuals with other distinctive perspectives, values and behaviours; and to help them to see that such interaction is an enriching experience. Thus, the visit or exchange is much more than an opportunity to 'practice' the language learnt in the classroom. It is a holistic learning experience which provides the means of using intercultural skills and acquiring new attitudes and values. Teachers need clear objectives, methods which take into account the power of experiential learning, and then learners will 'make the strange familiar - and the familiar strange'.

Challenges and opportunities of strategic communication in health and wellness tourism in Portugal

The growing focus on wellness and well-being has led to the consolidation of health and wellness tourism as a strategic part of the tourism economy in Portugal. This study analyses how regional tourism boards communicate these concepts and explores the challenges and opportunities presented by this rapidly changing market. The study examined the evolution of communication related to health and wellness in tourism between 2020 and 2022 based on a literature review, analysis of institutional websites and monitoring of digital trends. The results show a predominant focus on spa tourism and limited exploitation of the concept of well-being in a broader sense. The research highlights the need for more innovative and diversified communication strategies capable of attracting tourists seeking a holistic balance between physical, mental, and emotional health. Effectively communicating this distinctive value will be essential to strengthening Portugal’s competitiveness and resilience in a constantly evolving sector.

Generational diversity in nursing practice environments – scoping review

IntroductionGenerational diversity in nursing has introduced new challenges, for nurse managers and practice environments, in addressing both the nurses’ and clients’ needs and organizations’ social and health policies. The organizational climate encourages professionals to preserve positive practice environments, which promotes a healthy coexistence between generations, respecting their distinctive characteristics and values, with the essential purpose of ensuring the team’s effectiveness and the organization’s success.ObjectiveTo map the available scientific evidence on the generational diversity of nurses in professional practice environments.MethodsScoping review, according to the Joanna Briggs Institute proposed methodology. The search used the PCC (Population, Concept and Context) framework to locate both published and unpublished studies, with no time or language limitations.ResultsThirty-two studies analysed different aspects from a generational diversity perspective, such as job satisfaction, organizational commitment, engagement, stress and burnout, work-related values and attitudes, turnover and retention. Although the findings differ, it’s undeniable that each generation has a unique and valuable role, and it’s essential to promote an effective balance between generations to build a diverse workforce capable of adapting to different challenges in professional contexts.ConclusionOrganizations should acknowledge the importance of creating inclusive professional practice environments, where both current and future generations can contribute to providing quality care. This requires integrating strategies adapted to generational diversity and adopting a more flexible leadership style. Organizations should foster the challenges of an increasingly diverse society and reflect the generational diversity of nurses, providing truly inclusive and equitable care.

The (im-)possibilities of co-operatives in ‘free market’ conditions: a case study of neoliberal Sri Lanka

ABSTRACT Since its inception during the latter stages of the British colonial era in Sri Lanka, the country’s co-operative movement has consistently fostered a distinctive value system, empowering the ‘weaker sects’ of society to become productive members. However, with the opening of Sri Lanka’s economy in 1977, the social and economic role of the movement shifted to an ambivalent position. Against this historical backdrop, this article delves into the possibilities of survival of the co-operative movement in neoliberal Sri Lanka. Employing the case study method and embarking on fieldwork in a multi-purpose primary co-operative society, it examines how the primary co-operatives in the country navigate the challenges posed by ‘free market’ conditions. The article shows that, within such market dynamics, Sri Lankan co-operatives face an ongoing struggle over how to cope with free market norms and assumptions, gradually losing their momentum and influence. In conclusion, the article posits that for the Sri Lankan co-operative movement to endure, it must transform into a voluntary people’s movement, adapting to the changing socioeconomic landscape of neoliberal Sri Lanka.

Generation Alpha as Corporate Sustainability Promoters? Young Employees' Expectations Regarding Corporate Sustainability and ICT

ABSTRACTThe modern labor market is defined by the simultaneous presence of multiple generations, each possessing distinct values, professional objectives, and expectations toward employers. The youngest cohort, known as Generation Alpha, now entering the labor market, is shaped by the forces of digitalization, globalization, and the growing significance of social issues. The current study aimed to identify Generation Alpha expectations about employers' involvement in corporate sustainability practices and the implementation of ICT in the workplace, as well as to determine the relationship between these expectations. The research inquiry posed was: What are the expectations of the youngest cohort entering the labor market with respect to corporate sustainability and the use of ICT in professional settings? Corporate sustainability has been defined as a three‐dimensional construct that encompasses social, ecological, and economic dimensions. The research was carried out in Poland using an online survey methodology with a sample of 446 respondents selected by quota sampling. The findings corroborated that Generation Alpha places significant importance on corporate sustainability across three dimensions: economic, social, and ecological, with a prominent emphasis on economic security as their priority. It is crucial that members of Generation Alpha, who express expectations regarding the economic dimension of corporate sustainability, also anticipate solutions that address the social and ecological aspects. They perceive ICT in the workplace as a tool that supports the implementation of sustainable development goals (SDGs). Our study provides an original and innovative contribution to the academic literature and addresses a research gap regarding the expectations of Generation Alpha.

Natalia Bonetskaya’s ‘Bakhtin triptych’

The authors analyze N. Bonetskaya’s monograph and the two volumes of M. Bakhtin’s works she prepared for publication. In her book Bakhtin as a Philosopher [Bakhtin kak filosof ], Bonetskaya attempts a holistic reconstruction of Bakhtin’s philosophical-aesthetic and literary-critical legacy. The authors acknowledge Bonetskaya’s independent viewpoint and well-founded arguments, while also pointing to a few drawbacks in her study. The two volumes containing Bakhtin’s own works compiled and commented by Bonetskaya have distinct scholarly value. Her comments and footnotes piece together a coherent and uncontroversial system of Bakhtin’s ‘first philosophy’ and discover the way it determines Bakhtin’s writings in the 1920s and 1930s, and resurfaces in the 1960s and early 1970s. The reviewers find that Bonetskaya’s books are noteworthy milestones in modern Bakhtin studies and will provide relevant insights for subsequent analyses of Bakhtin’s legacy and preparation of new comments to his texts.

Analysis of Investment Factors and Decisions among Generation Z and Generation X in Indian Capital Market

This study highlights the disparate behaviours, motives, and methods of these two unique generations as it investigates the investment fervour of Generation Z and Generation X in the Indian capital market. Due in large part to historical financial practices and economic volatility, Generation X favours conservative investment strategies, placing a higher value on stability and long-term growth through well-established asset classes like real estate and mutual funds. As a result of growing up in a digitally first world, Generation Z, on the other hand, has a more daring attitude when it comes to investing and is frequently drawn to high-risk chances like cryptocurrencies and Capitals that are influenced by social media trends. The study utilises a mixed-methods approach, integrating quantitative surveys and qualitative interviews to evaluate the investing choices and behaviours of 393 participants, split evenly between the two groups. The results show notable variations in financial literacy, risk tolerance, and how technology affects investment choices. The report also emphasises how crucial it is to match financial services to the distinct requirements and values of every generation, especially as Generation Z’s emphasis on ethical and sustainable investing is changing the industry. Financial institutions may build a more knowledgeable and empowered investor community by better engaging with their clients by taking into account these generational disparities.

Design of Two-Dimensional Hybrid Perovskites with Giant Spin Splitting and Persistent Spin Textures.

Semiconductors with large energetic separation ΔE± of energy sub-bands with distinct spin expectation values (spin textures) represent a key target to enable control over spin transport and spin-optoelectronic properties. While the paradigmatic case of symmetry-dictated Rashba spin splitting and associated spin textures remains the most explored pathway toward designing future spin-transport-based quantum information technologies, controlling spin physics beyond the Rashba paradigm by accessing strategically targeted crystalline symmetries holds significant promise. In this paper, we show how breaking the traditional paradigm of octahedron-rotation based structure distortions in 2D organic-inorganic perovskites (2D-OIPs) can facilitate exceptionally large spin splittings (ΔE± > 400 meV) and spin textures with extremely short spin helix lengths (lPSH ∼ 5 nm). A simple bond angle difference captures the distortion-driven global asymmetry and correlates quantitatively with first-principles computed spin-splitting magnitudes. A multiband effective mass model that accounts for interlayer coupling provides a unified understanding of how specific symmetry elements dictate layer- and state-dependent spin polarizations within these multi-quantum-well structures. The general symmetry analysis methodology presented here, together with the potential for rationally creating 2D-OIPs with unique symmetry patterns, opens a pathway to design semiconductors with outstanding spin properties for next generation opto-spintronics.

Predicting prognosis, immune landscape, and drug targets with a novel signature for hepatocellular carcinoma

Background Despite advances in therapeutics, hepatocellular carcinoma (HCC) remains one of the most malignant types of digestive tract cancers with a poor prognosis. Pyroptosis is a form of programmed cell death induced by inflammatory caspases. Recent studies have identified pyroptosis, a form of programmed cell death induced by inflammatory caspases, as playing a role in tumorigenesis and cancer progression. However, the functions and mechanisms of pyroptosis in HCC are barely explored. Methods Gene expression and clinical data were derived from The Cancer Genome Atlas (TCGA) and Gene Expression Omnibus (GEO) databases. A prognostic signature and nomogram were constructed by on differentially expressed genes and clinical data. Pathway enrichment and immune cell infiltration were further analyzed. Potential drugs to modulate the pathways were explored. Results In this study, a pyroptosis-related gene signature was developed and identified to be significantly correlated with the survival of HCC patients. Additionally, a nomogram on the basis of pyroptosis-related genes was constructed with distinct prognostic values. Furthermore, the pyroptosis-related gene signature might correlate with immune-related pathways and the regulation of the immune microenvironment, and several compounds (KIN001-220, TPCA-1, LY-303511, physostigmine, vemurafenib, etc.) could potentially reverse the pathogenic gene-expression patterns. Conclusions Our study provides evidence that pyroptosis is involved in HCC development, progression and immune microenvironment, which is promising in predicting the prognosis and developing targeted therapy.

Computational investigation of the phase stability, electronic, optical, phonon spectrum, and elastic behavior of layered perovskites Ca2XO4 (X = Zr, Hf) for optoelectronic applications.

A significant class of solid-state materials, Ruddlesden-Popper (RP) perovskites are well-known for their rich chemical compositions that make them excellent electrocatalysts. Therefore, in this work, we conduct thorough analysis of RP perovskites, specifically Ca2XO4 (X = Zr, Hf). We delve into the structural, electronic, optical, and mechanical properties presenting their insights for the first time. Our investigations reveal that Ca2XO4 (X = Zr, Hf) exhibits stable tetragonal phase structures, with energies (E0) of - 10,522.93eV and - 33,520.14eV, respectively. The calculated in terms of the ground state determines to possess distinct values such as - 4.79 eV/atom for LiScTe2 and - 3.95 eV/atom for Ca2ZrO4 and Ca2HfO4. Notably, the semiconductor characteristics of Ca2ZrO4 and Ca2HfO4 are underscored by their respective wide direct band gap of 5.02eV and 5.30eV. Then, we discuss the optical parameters encompassing the dielectric function, absorption coefficient, optical conductivity, refractive index, and energy loss function. is described as ductile, whereas is defined as brittle. Our outcomes underscore remarkable ability of these materials to absorb ultraviolet radiation from the electromagnetic spectrum, positioning them as promising candidates for optoelectronic applications. We made these calculations by employing first-principles approach rooted in density functional theory (DFT) and utilizing the Perdew-Burke-Ernzerhof-Generalized Gradient Approximation (PBE-GGA) and Tran and Blaha-modified Becke-Johnson (TB-mBJ) functional within the WEIN2K framework. In this framework, Kramers-Kronig relations are used to obtain crucial optical parameters. Mechanical behavior is assessed by employing Voigt-Reuss-Hill approximation (VRH) fulfilling the Born's criteria which emphasizes that these materials are equally appropriate for a broad range of mechanical applications.