A new copper(I) complex, [Cu2(L)2dppm](PF6)2 (1) [L = 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine and dppm: Bis(diphenylphosphino)methane] was prepared and characterized by IR, 1H-NMR, 31P-NMR spectroscopy, elemental and thermogravimetric analysis, and single-crystal X-ray diffraction technique. Complex 1 is a dinuclear compound, showing that L and dppm act as tridentate and bidentate chelating ligands, respectively. The two Cu(I) atoms exhibit a distorted tetrahedral coordination sphere embedded in N3P environments. The supramolecular interactions in the solid-state structure are characterized by C−H···N, C−H···F, C-H···π and π···π intermolecular interactions that were analyzed by inspection of the Hirshfeld surface and fingerprint plots. Additionally, the complex was studied experimentally in solution by UV–Vis spectroscopy and cyclic voltammetry; also, theoretical studies with Time-Dependent Density Functional Theory (TD-DFT) were performed. Moreover, the optical and electrochemical properties have been studied, focusing on the band gap. Compound 1 has been used as a co-sensitizer in a dye-sensitized solar cell, showing good activity.

Thin films of BiFeO3 (BFO), VO2 and BFO/VO2 were grown on SrTiO3(100) and Al2O3(0001) monocrystalline substrates using the RF and DC sputtering techniques. The surface of the films was characterized by profilometry, AFM, and XPS. The heterostructures have roughnesses between 0.2 and 16 nm and a grain size between 20 nm and 67 nm. XPS measurements show a higher proportion of the V4+ and Bi3+ oxides. In the Fe region, a higher proportion of Fe3+ is shown in the films. The homogeneous ordering, low roughnesses, and the oxidation states on the obtained surface show a good coupling in these films. The I-V curves show ohmic behavior at room temperature and change with increasing temperature. The effect of coupling these materials in a thin film shows the appearance of hysteresis cycles I-V and R-T, typical of materials with high potential in applications such as resistive memories and solar cells.

Chronic wounds remain a major challenge in healthcare, with conventional dressings often leading to infections and lacking advanced healing capabilities. This study evaluated the wound healing potential of NIMO-CH, a cellulose hydrogel derived from nipa fronds and enriched with indigenous microorganisms, particularly Lacticaseibacillus paracasei BCRC-16100. Using ICR mice with excisional wounds, three treatments were compared: no treatment, NIMO-CH, and DuoDERM. Results showed that NIMO-CH and DuoDERM both achieved 100% wound closure, with NIMO-CH-treated wounds showing complete healing with hair growth by day 18-20, while untreated wounds healed by day 20. Minimal scarring was observed in both NIMO-CH and DuoDERM groups. Histological analysis confirmed similar healing processes, including granulation tissue formation and moderate inflammatory responses, with no significant differences in collagen fiber orientation. Furthermore, genome sequencing revealed that Lacticaseibacillus paracasei BCRC-16100 contained genes sodA and gsiC, responsible for coding enzymes necessary for the wound healing process. These results suggest that NIMO-CH could be an effective alternative for wound care applications.

Bacterial infections pose a serious threat to human health, and the overuse of antibiotics has led to the rise of multidrug-resistant bacteria. Numerous current wound dressings, which may cause skin irritation or allergies are insufficient in handling large wounds, often leading to infections. This highlights the need for better antibacterial materials. Nypa fruticans (Nipa palm), native to Southeast Asia, has long been utilized for various purposes because of its multiple benefits such as its antimicrobial properties, presence of probiotics, and high cellulose content. This study evaluates the use of cellulose hydrogel from nipa fronds, loaded with probiotics (ProbioGel), as an antimicrobial agent to prevent infections. The study involved an in-vitro assay using the Kirby-Bauer method to evaluate the gel’s antimicrobial properties against common wound pathogens. Additionally, whole genome sequencing and promoter analysis were done to identify genes supporting their biochemical properties. The results showed ProbioGel exhibited significant antimicrobial activity against Staphylococcus aureus, Escherichia coli, Staphylococcus epidermidis, and Candida albicans due to the presence of genes encoding lysozyme, carnobacteriocin B2, and fatty acid ABC transporter ATP binding in the Lacticaseibacillus paracasei BCRC-16100. This study highlighted the potential of ProbioGel as an innovative and effective antimicrobial and anti-infection agent for wound care. The discovery of genes in the probiotic strain responsible for encoding antimicrobial peptides further supports its therapeutic potential.

Probiotics are microorganisms infused in products for health benefits including acceleration of nutrient digestion, however, it is also important to ensure the safety prior to incorporation. Here, we present evidence of the ability of two probiotic isolates,Lacticaseibacillus paracasei BCRC-16100 and Lacticaseibacillus paracasei ZFM54, in the (1) enhancement of carbohydrate digestion, (2) tolerance to stress, and (3) antibiotic resistance. Approaches include whole genome sequence (WGS) analysis and bioactivity assays. WGS revealed genes suggesting the ability of the two isolates to promote carbohydrate digestion, tolerance to stress and antibiotic resistance. Carbohydrate digestive ability was confirmed through a biochemical assay where the two isolates cause glucose release from starch. The two isolates also showed versatility in a range of temperature and alcohol concentration. For antibiotic resistance particularly on vancomycin, there are three mechanisms namely transporter control, transcriptional regulation, and efflux pump. Furthermore, promoter and transposable element analysis showed that some of the active antibiotic resistant (AbR) genes can be laterally transferred. Altogether, we show the potential of two probiotic isolates to be incorporated in products for improved carbohydrate digestion and the need to address the removal of active and mobile antibiotic resistance genes that may compromise safety.

Fruits of chayote [Sechium edule (Jacq.) Swartz] are widely consumed in Mesoamerica, but little is known about the nutraceutical potential. This study aimed to determine the chemical compositions, antioxidant activities from the juice fruits from two commercial varieties of chayote cultivated in Mexico, as well as a proposal for the elaboration of chayote juices with stevia leaves and pineapple juice. The physicochemical properties of juice from virens levis (VL) and nigrum spinosum (NS) varieties were determined using standard methods. The juice of the two varieties differ significantly regarding the concentrations of total soluble solids, total sugars, but not vitamin C. The total concentration of phenolics in NS extracts was slightly higher than in VL (1005 and 856 mg 100 g⁻¹ dry-weight, respectively) but the total flavonoid contents were similar (27 and 26 mg 100 g⁻¹ dry-weight, respectively). Cucurbitacin D was predominant in both varieties. The radical scavenging capacities of VL and NS extracts varied slightly (IC50 = 0.45 to 0.65 mg mL⁻¹), while the antioxidant activities were similar (~80%). The NS variety is particularly promising regarding nutraceutical application. The chayote juice combined with stevia and pineapple maintain the original nutraceutical characteristics from the fruit, but enhanced the organoleptic characteristics like density and sugar/acidity balance.

Sechium compositum (Cucurbitaceae) is a wild species that is distributed in the Soconusco region, Chiapas, Mexico, and the border with Guatemala. This species has an intangible biochemical value resulting from the pharmacological relevance of its secondary metabolites. However, as a consequence of the lack of knowledge about its importance, it is being displaced from its habitat at an accelerated rate, incurring the risk of genetic loss. Therefore, an in vitro culture protocol with two experimental phases was evaluated to propagate, conserve, and regenerate this species. The first phases considered the multiplication of seedlings, adding seven concentrations (0.1, 0.2, 0.4, 0.6, 0.8, 1.0, 1.2 mg mL-1) of 6-benzylaminopurine (BA) and thidiazuron (TDZ) and evaluating the number of buds, shoots, and seedling height. The best multiplication response was recorded with 0.1, 0.2, 0.4, and 1.0 mg L-1 of BA and 0.1 mg L-1 of TDZ, as well as the MS base culture medium. With 0.1 mg L-1 of BA, 52-mm height, 1.36 shoots, and 9.22 buds were obtained, surpassing the MS control (MS culture medium alone); likewise, twice more roots (80%) and a 14% reduction in the bud structure were packed in 50 repetitions. The second phase consisted of inducing callus formation from stem and leaf explants through the addition of 0.5, 1.0, and 2.0 mg L-1 of TDZ and 2,4-Dichlorophenoxyacetic acid (2,4-D) to the medium. The results demonstrated that the induction of callogenesis in S. compositum has a better start from the stem in a medium with 2.0 mg L-1 of 2,4-D, whose value was 4.89 —equivalent to 97.8% callus formation around the explant. The addition of 500 mg L-1 of polyvinylpyrrolidone (PVP) is also suggested to reduce oxidation. This protocol represents a significant advance in the conservation, multiplication, and callogenesis of S. compositum and contributes to its rescue and revaluation in the face of the danger of extinction.

The development of an equipment starts from an effective design activity. The concept selection process is an activity that is entailed in the design stage and its relevance in the design process cannot be overemphasized because it informs the choice of optimal conceptual design from a set of alternative design. Hence, there is a need to accrue efforts to the concept selection process because of its importance. This article presents the identification of optimal conceptual design as a Multicriteria decision making model by assessing the suitability of Fuzzy Measurement Alternatives and Ranking according to COmpromise Solution (MARCOS). The Fuzzy MARCOS model was developed to access four alternative conceptual designs of briquetting machines considering eight design features with several sub features. The fuzzy MARCOS model was able to rank the conceptual designs and the results obtained from the decision analysis showed that the Fuzzy MARCOS model was able to rank the designs based on their performance and the final values of the overall utility function. The overall utility function is a based on the utility degree of the conceptual design alternatives in terms of the best and worst designs identified by the model. The utility degree created a platform for comparison on how the design alternatives varies from the best and worst design.

A combination of physical-chemical analysis has been used to monitor the aging of red wines from D.O. Toro (Spain). The changes in the chemical composition of wines that occur along aging time can be permitted to discriminate wine samples collected after one, four, seven and ten months of aging. Different computational models were used to develop a good authenticity tool to certificate wines. In this research different models have developed: Artificial Neural Network models (ANNs), Support Vector Machine (SVM) and Random Forest (RF) models. The results obtained for the ANN model developed with sigmoidal function in the output neuron and the RF model permit to determine the aging time, with an average absolute percentage deviation below 1% and it can conclude that these two models have demonstrated its capacity as a valid tool to predict the wine age.

Background: This study aimed to analyze the psychometric properties of the Brief-COPE Inventory and to determine its concurrent validity by exploring its association with perceived stress in Peruvian nurses. Methods: Psychometric study carried out in 434 Peruvian nurses to determine the psychometric properties by confirmatory factor analysis. Three stepwise variable selection regression models were implemented. Results: The three-factor of the Brief-COPE Inventory reported adequate fit (root mean square error of approximation = 0.052, standardized root mean square = 0.068, and both the comparative fit index and the Tucker–Lewis index = 0.95). Likewise, we found that its factors are correlated (p < 0.001) and that there is adequate reliability (ω= 0.90). Moreover, nurses showed a medium level of perceived stress and the following associated factors: sex, having received stress management training, fear of COVID-19, and problem-focused coping strategies (p < 0.05). Conclusion: This study proved that Brief-COPE Inventory is a valid tool for measuring coping strategies in Peruvian nurses because it has a good fit to the model, excellent reliability, and concurrent validity with perceived stress. However, further studies are required to evaluate its validity according to the nursing professionals’ perceived areas of performance.

Here we mathematically model black holes and the early universe following dynamics similar to RLC electrical models, focusing on their similarities at the singularity. We use this mathematically modelling to hypothesize the evolution of an expanding universe as the result of a black hole collapse followed by its evaporation. Or model consists of several steps defined by: (1) the formation of a black hole following general relativity equations; (2) growth of the black hole modelled as a resistance-capacitance-like electrical circuit; (3) expansion of space-time following the disintegration of the black hole, modelled by RLC-like dynamics. In updating this article, version 2, we will expand by presenting three additional examples related to the theory of the generalization Boltzmann's constant in curved space-time and the theory of general and especial relativity. We will calculate the critical mass to produce a black hole in the LHC, the existence of a high temperature Bose-Einstein condensate and finally we will demonstrate the existence of a tangential force to the repulsion force in the disintegration of subatomic particles. In the update of this article, version 3, we will expand to develop two examples. First, we will present the relationship between M-theory, extra dimensions with the theory of the generalization of Boltzmann's constant in curved space-time. Secondly, we will propose the idea of ​​updating the Lambda-CDM model, considering the primordial gravitational waves to correctly describe the evolution of the universe.

Choanoflagellates are single-celled eukaryotes with complex signaling pathways. They are considered the closest non-metazoan ancestors to mammals and other metazoans, and form multicellular-like states called rosettes. The choanoflagellate Monosiga brevicollis contains over 150 PDZ domains, an important peptide-binding domain in all three domains of life (Archaea, Bacteria, and Eukarya). Therefore, an understanding of PDZ domain signaling pathways in choanoflagellates may provide insight into the origins of multicellularity. PDZ domains recognize the C-terminus of target proteins and regulate signaling and trafficking pathways, as well as cellular adhesion. Here, we developed a computational program, Domain Analysis and Motif Matcher (DAMM), that predicts target specificity in choanoflagellate PDZ domains by analyzing peptide-binding cleft sequence identity as compared to human PDZ domains. We used this program, protein biochemistry, fluorescence polarization, and structural analyses to characterize the specificity of A9UPE9_MONBE, a M. brevicollis PDZ domain-containing protein with no homology to any metazoan protein, finding that its PDZ domain is most similar to those of the DLG family. We then identified two endogenous sequences that bind A9UPE9 PDZ with <100 M affinity, a value commonly considered the threshold for cellular PDZ-peptide interactions. Taken together, this approach can be used to predict cellular targets of previously uncharacterized PDZ domains in choanoflagellates and other organisms. Our data contributes to investigations into choanoflagellate signaling and how it informs metazoan evolution.

The digital transformation of critical infrastructures, such as energy or water distribution systems, is essential for their smart management. Faster issue identification and smoother services enable better adaptation to consumers' evolving demands. However, these large-scale infrastructures are often outdated. Their digital transformation is crucial to enable them supporting societies. This process must be carefully planned, providing guidance that ensures that the data they rely on is dependable and that the system remains fully operational during the transition. This paper presents a formal model that supports reliable data acquisition in legacy critical infrastructures, facilitating their evolution towards a data-driven smart system. Our model provides the foundation for a flexible transformation process while generating dependable data for system management. We demonstrate the model's applicability in a use case within the water distribution domain and discuss its benefits.

Mexico has a great diversity of cacti, however, many of their fruits have not been studied in greater depth. Several bioactive compounds available in cacti juices extract have demonstrated nutraceutical properties. Two cactus species are interesting for their biologically active pigments, which are chico (Pachycereus weberi (J. M.Coult.) Backeb)) and jiotilla (Escontria chiotilla (Weber) Rose)). Hence, the goal of this work was to evaluate the bioactive entities, i.e., betalains, total phenolic, vitamin C, antioxidant activity, and mineral content in the extract of the above-mentioned P. weberi and E. chiotilla. Then, clarified extracts were evaluated for their antioxidant activity and cytotoxicity (cancer cell lines) potentialities. Based on the obtained results, Chico fruit extract was found to be a good source of vitamin C (27.19±1.95 mg L-Ascorbic acid/100g fresh sample). Moreover, chico extract resulted in a high concentration of micronutrients, i.e., potassium (517.75±16.78 mg/100 g) and zinc (2.46±0.65 mg/100 g). On the other hand, Jiotilla has a high content of biologically active pigment, i.e., betaxanthins (4.17±0.35 mg/g dry sample). The antioxidant activities of clarified extracts of chico and jiotilla were 80.01±5.10 and 280.88±7.62 (DPPH method), respectively. From the cytotoxicity perspective against cancer cell lines, i.e., CaCo-2, MCF-7, HepG2, and PC-3, the clarified extracts of chico showed cytotoxicity in CaCo-2 (49.7±0.01) and MCF-7 (45.56±0.05). Normal fibroblast cell line (NIH/3T3) was used as a control for comparison purposes. While, jiotilla extract had cytotoxicity against HepG2 (47.31±0.03) and PC-3 (53.65±0.04). These results demonstrated that Chico and jiotilla are good resources of biologically active constituents with nutraceuticals potentialities.

Paddy field is an old agriculture practice that very common especially in Asia. The earliest paddy field found dated back to 4330 BC. Most paddy fields in the world are having rectangular shapes. Whereas, in Flores island, indigenous people have developed a spider web or circular paddy field instead of regular rectangular shape and this driven by culture and local wisdom. In here, the objectives of this study are to assess the characteristic, ecology and fertility of circular paddy field compared to common rectangular shape. Fertility values were assessed using Landsat 8 remote sensing with RGB combination of NIR, SWIR 1 and blue. The study site was paddy field within Flores island. The result shows that spider web paddy field appeared in many sizes, number, altitude, ecosystem and terrain. Remote sensing result confirms that the fertility of circular paddy field is similar to the rectangular shape. Likewise, circular field has higher NDVI than rectangular field. Considering semiarid environment, limited labor and resources in Flores island, circular paddy field shape can allow the use of pivot irrigation that more efficient.

Low-frequency electromagnetic induction (EMI) is a non-invasive geophysical method that is based on the induction of electromagnetic (EM) waves into the subsurface to quantify changes in electrical conductivity. In this study we present an open (design details and software are accessible) and modular system for the collection of EMI data. The instrument proposed allows to adjust the separations between the transmitter and up to four receiving antennas as well as the acquisition frequency (in the range between 3 and 50 kHz) to permit measurements with variable depth of investigation. The sensor provides access to raw data and the software described in this study allows control of the signal processing chain. The design specifications permit apparent conductivity measurements in the range of between 1 mS/m and 1000 mS/m, with a resolution of 1.0 mS/m and with a sampling rate of up to 10 samples per second. The sensor allows for a synchronous acquisition of a time stamp and a location stamp for each data sample. The sensor has a mass of less than 5 kg, is portable and suitable for 1-person operation, provides 4 hours of operation time on one battery charge, and provides sufficient rigidity for practical field operations.

The COVID-19 pandemic which have affected every part of the world have been deemed a public health concern and classified as a pandemic. The government imposing travel bans and quarantine measures have been found to be effective in preventing and reducing the spread of COVID-19. A reduction in physical activity and increase in the consumption of unhealthy foods have been observed to be some of the major implications of quarantine. Adequate physical activity and increased access to healthy foods would help in improving the psychological wellbeing of individuals thereby preventing the development of cardiovascular diseases.

We study the nonlinear absorptive and dispersive optical properties of molecular systems immersed in a thermal reservoir interacting with a Four-wave Mixing (FWM) signal. Residual spin-orbit Hamiltonians are considered in order to take into account the internal structure of the molecule. As system parameters in the dissipation processes, transverse and longitudinal relaxation times are considered for stochastic solute-solvent interaction processes. The intramolecular coupling effects on the optical responses are studied using a molecule model consisting of two coupled harmonic curves of electronic energies with displaced minima in nuclear energies and positions. In this study, it was considered the complete frequency space is considered through the pump-probe detuning, not restricting the derivations to only maximums of population oscillations. This approach opens the possibility of studying the behavior of optical responses, which is very useful in experimental design. Our results indicate the sensitivity of the optical responses to parameters of the molecular structure as well as to those derived from the photonic process of FWM signal generation.

The development of language and communication patterns has been significantly impacted by the internet's quick advancement. The ability to instantly communicate globally and engage with people of different linguistic origins is one of the main advantages of using the internet. Internet use has significant positive effects on language growth, but it also brings with it drawbacks that need to be addressed. Online communication's casual atmosphere can occasionally cause grammar norms to deteriorate and non-standard language patterns to proliferate. With the information stated in this paper, the aim now is to collect literature on the benefits of internet usage and the evolution of language to provide substantive information in regard to this matter. In order to assist students in navigating the complexity of Internet communication, educational institutions should incorporate digital literacy into their curricula. This involves upholding strict requirements for traditional language proficiency while teaching students how to use digital technologies efficiently. The Internet should be used to support the revitalization and preservation of endangered languages. This can entail setting up community forums, digital archives, and online learning portals where language users can interact and exchange resources.

In this work, optimal consumption and investment strategies are derived for risk-averse investors under the 4/2 stochastic volatility class of models. We work under an expected utility (EUT) framework and consider a Constant Relative Risk Aversion (CRRA) investor, who might also be ambiguity-averse. The corresponding Hamilton-Jacobi-Bellman (HJB) and HJB-Isaacs (HJBI) equations are solved in closed-form for a subset of the parametric space and under some restrictions on the portfolio setting, for complete markets. Conditions for proper changes of measure and well defined solutions are provided. These are the first analytical solutions for the 4/2 stochastic volatility model and the embedded 3/2 model for the type of excess returns established in .

Several studies have already demonstrated the relationship between the loss of natural habitats and the incidence of diseases caused by vectors, such as dengue, which is an acute fever disease, considered a serious public health problem. The aim of the present study was to analyze the relationship between land use changes between 2009 and 2019 and the occurrence of dengue fever in 2015 and 2019 by municipality, using the state of Minas Gerais as a case study. For this, secondary data obtained from openly available sources were used. Natural vegetation cover data were obtained from the MAPBiomas platform and dengue occurrence data from the Ministry of Health, in addition to socioeconomic indicators from the Brazilian Institute for Geography and Statistics. Between 2015 and 2019, 1,255,731 cases of dengue were recorded throughout the state of Minas Gerais, ranging from 0 to 227 per thousand inhabitants between municipalities. The occurrence of dengue was distributed throughout all regions of Minas Gerais, affected by climatic and socioeconomic aspects. In general, municipalities with net loss of natural vegetation, predominantly located in the Cerrado biome, had the highest number of dengue cases in the studied period. Despite the significant positive relationship between these two variables, three of the eight socioeconomic parameters analyzed also affected the occurrence of dengue: population density, human development index (both positively) and Gini inequality index (negatively). These results indicate that, contrary to expectations, municipalities with better social conditions had more dengue cases. Our study indicates that natural vegetation is, directly or indirectly, involved in the ecosystem service of dengue control, despite the occurrence of this disease being affected by multiple factors that interact in a complex way. Thus, policies towards reducing deforestation must be complemented by a continuous investment in public health policies and reduction of social inequalities to efficiently control dengue fever.

The intricate mechanisms of the immune response elicited by vaccines and the interplay between the immune system and the central nervous system (CNS) are poorly understood. This review explores these mechanisms, emphasizing the interplay between the immune system and the central nervous system (CNS). A critical aspect is the examination of how vaccine-induced immune responses can interact with the CNS, influencing neuroinflammation and neuroimmune interactions. Furthermore, the link between vaccination and persistent symptoms observed in long-COVID patients is discussed. Vaccination initiates a complex cascade of events, starting with the production of specific proteins, such as S1/S2 spike proteins, leading to robust immune activation in the axillary lymph nodes. The role of macrophages and antigen-presenting cells (APCs) in cytokine production, antigen presentation, and the stimulation of B and T cells highlights the sophistication of the adaptive immune response. The migration of immune cell-derived exosomes to the brain plays a dynamic role in CNS inflammation, neurodegenerative processes and long COVID. On the other hand, the prolonged presence of viral and vaccine-derived spike proteins may contribute to the complex pathophysiology of Long-COVID, shedding light on the delicate balance between beneficial immune responses and possible adverse neurological outcomes of vaccination. It is worth rigorous monitoring and further research to understand the mechanisms of neuroinflammation and the persistence of spike proteins and their long-term effects on the brain, emphasising the importance of a nuanced approach to vaccine safety and efficacy in the context of COVID-19 and beyond.Principio del formulario

This study explores the interplay between web-based professional development, teachers' self-efficacy, resilience, and work values in the context of the Davao Region. The investigation reveals significant findings in three key areas: web-based professional development, teachers' resilience, and teachers' work values. The survey indicates that web-based professional development significantly impacts teachers' self-efficacy, with interaction self-efficacy registering the highest mean score. Moreover, teachers' resilience is manifested across emotional, motivational, and social dimensions, with emotional resilience scoring the highest mean. Teachers' work values, encompassing physical facilities, social environment, job security, new challenges, professional growth, personal growth, and interpersonal relationships, all demonstrate high descriptive equivalents. The study establishes a significant positive correlation between web-based professional development and teachers' self-efficacy, as well as a significant relationship between teachers' resilience and their work values. Furthermore, both web-based professional development and teachers' resilience exert a significant influence on teachers' work values.The conclusions drawn from the study highlight the prominence of web-based professional development, teachers' resilience, and work values in the educational landscape of the Davao Region. The findings underscore the interconnectedness of these factors and their crucial role in shaping the teaching profession. In light of these results, recommendations are made to inform policy decisions and enhance professional development programs for teachers in the region. The study encourages a holistic understanding of the relationships between web-based professional development, self-efficacy, resilience, and work values, aiming to contribute to the continuous improvement of education quality in the Davao Region. Additionally, future research is suggested to delve deeper into specific aspects of teachers' general self-efficacy, social resilience, and interpersonal relationships for a more comprehensive understanding.

The knowledge of COVID-19 impact on the human body has increased rapidly. Although many people recover from COVID-19, some continue to experience persistent symptoms that have been identified as Long COVID. This condition can have a severe impact on quality of life, and it remains a significant concern for medical professionals and researchers. One of the key components of the SARS-CoV-2 virus that enables it to enter human cells is the spike (S) protein. Recent studies have revealed a complex network of interactions between G proteins, spike (S) protein, and the Renin-Angiotensin System (RAS) may be responsible, at least in part, for long COVID. SARS-CoV-2 can also affect the brain, leading to neurological symptoms such as confusion, memory loss, and fatigue. Increasing evidence suggests that COVID-19 is not just a respiratory illness since it is likely that the virus could influence signal transduction pathways such as G-protein-coupled receptor (GPCR), among others, in the brain, either directly or indirectly, affecting neural functions. These interactions with the spike (S) protein and RAS, alongside the brain, are complex and require deep research to understand their implications for Long COVID-19 manifestation fully. While recent research has shed light on the complex interactions between G proteins, spike (S) protein, the brain, and the angiotensin system, this article explores these interconnected pathways and their implications for long COVID-19 manifestations. The present review summarises current research on different molecular mechanisms in Long COVID pathophysiology and may help identify possible targets or new strategies for the diagnosis and treatment.

With the Sendai Framework (2015-2030) and the Paris Agreement (2015), the UN has been promoting at a global level, the priority objectives to protect the life and well-being of people, these documents of global consensus have scheduled in several countries, an extensive list of actions of responsibilities and commitments to the environment, to address natural disasters among those of greatest impact earthquakes and floods and among earthquakes (seismic activity). The materialization of the disaster is a natural or human-induced event, it manifests itself in permanent changes in society and by its origin it is classified as natural, anthropogenic (anthropogenic) and mixed, creating a worldwide problematic situation of immediate reaction. The attention and alert in the scientific community have been adding efforts, but in a disorganized way, with limited human and material resources and with globalized strategies still to be improved. The literature review of disaster risk management due to seismic activity, from 2008 to 2023, allows us to have updated information to identify the factors and deepen them, with the understanding, comprehension, and multidisciplinary knowledge. The selected researches that mention the factors (elements) that influence risk management of natural disasters due to seismic activity (RMNDDSA) allow us to know the advances and spaces to approach them, which constitutes the motivation to study the twenty-four (24) factors present in this type of disasters. The selected research articles indicate important advances that associate disaster risk management (DRM) and communication technology (ICTs). The technological means mentioned are well received and accepted by society, capable of detecting and communicating in real time seismic activity worldwide, with the help of social mobile networks, technological platforms, Twitter, Facebook, and others.

In this research work, we examined the decomposition mechanisms of N-substituted diacetamides. We focused on the substituent effect on the nitrogen lone pair electron delocalization, withdrawing and electron donor groups. DFT functionals used included: B1LYP, B3PW91, CAMB3LYP, LC-BLYP, and X3LYP. Dispersion functions gd3bj were applied when necessary to improve non-covalent interactions in the transition state. Pople with higher angular moments and def2-TZVP basis sets were also applied and were crucial for obtaining consistent thermodynamic parameters. The proposed mechanism involves a six-membered transition state with the extraction of an α hydrogen. Several conformers of N-diacetamides were used to account for the decrease in entropy in the transition state in the rate-determining state. All calculations, including Natural Bond Orbital (NBO) analyses, were performed using the Gaussian16 computational package and its GaussView 6.0 visualizer, along with VMD and GNUPLOT software. The isosurfaces and IBSI indexes were calculated using MultiWFN and IGMPlot, respectively.

The global craft beer market is witnessing substantial growth, with a particular spotlight on sour beers. These unique brews are created through lactic fermentation initiated by lactic acid bacteria (LAB). However, the presence of hops, renowned for their antimicrobial properties, can pose a limitation within the realm of sour beer production. This research aims to explore and assess the potential of sour beer as a probiotic beverage. It involves a comparative analysis of the viability of Lacticaseibacillus paracasei subsp. paracasei F19 (F19) and 431 (L431) in a sour beer with an International Bitterness Unit (IBU) value of 26.65, alongside examining the ex-pression of genes such as horA, horB, horC, hitA, bsrA, and recA, which are associated with hop resistance. The study encompasses the development of two formulations of sour beers characterized by both high hop content and a robust probiotic count (8.44 – 8.77 log CFU/mL). The findings suggest that both probiotic strains of F19 and L431, are well-suited to produce sour beers with elevated hop levels, demonstrating excellent stability. Notably, the expression of genes responsible for hops resistance exhibited distinct modulation patterns among the two strains. It appears that a higher concentration of bsrA, as observed in strain L431, may be more effective in mitigating the effects of hop-related stress, potentially surpassing the combined expression of horA and bsrA. Nonetheless, further research is essential to validate this observation in gene expression. F19 and L431 emerge as promising candidates for the development of sour beers with increased hop intensity.

This research aims to introduce a model, SectraBank, designed to mitigate cyber fraud attacks, specifically targeting SIM Swapping and Fake App schemes in mobile banking users. A quantitative methodology with an experimental design was meticulously employed to examine the rise of cyber fraud within mobile banking. The study involved a sample of 100 professionals with advanced knowledge in Information and Communication Technologies (ICTs). Surveys were utilized to measure awareness of threats and perceptions of security before and after the implementation of the proposed model. SectraBank leverages unique user identifiers such as fingerprint authentication and the International Mobile Equipment Identity (IMEI) number, in addition to geolocation and One Time Passwords (OTP) for validating electronic transactions in mobile banking. The effectiveness of the proposed model was notable, achieving a 96.1% efficacy rate in mitigating Fake App attacks and a 90.2% success rate in countering SIM Swapping attacks. These findings underscore the potential of SectraBank as a robust solution to enhance cybersecurity measures in the realm of mobile banking.

This short paper reveals a simple methodology to create local-correlation models suitable for the closed-form pricing of multi-asset financial derivatives. The multivariate models are built to ensure two conditions, first, marginals follow desirable processes, e.g. we choose the Geometric Brownian Motion (GBM), popular for stock prices. Second, the payoff of the derivative should follow a desired one dimensional process. These conditions lead to a specific choice of the dependence structure, in the form of a local-correlation model. Two popular multi-asset options are entertained, a spread option and a basket option.

Here we will electrically-quantum model the neutron and proton as a three-phase alternating current electric generator, for this, we will use the theory of three-phase electric generators and vector or phasor diagrams. We will use this model to hypothesize how the quarks that form neutrons and protons with a combined mass of 10 MeV/c², can generate, through quarks-antiquarks-gluon interactions, a mass of 939.56 MeV/c² for the neutron and a mass of 938.27 MeV/c² for the proton. Using quantum mechanics and the theory of the generalization of the Boltzmann constant in curved space-time we will calculate the number of quarks-antiquarks-gluons and gravitons inside a neutron. We will also analyse βˉ decay using vector diagrams, we will calculate the tension of the string T₀ and the length of the string ℓs between quarks-antiquark and finally, we will model a black hole using a neutron equivalent model. In version 2 of this article, we will update the vector diagrams of the βˉ decay and theoretically calculate the energy of the W⁻ boson, the Z⁰ boson, and the Θ angle, Θ = arc cos (W⁻/Z⁰). We will demonstrate, through vector diagrams, that quarks-antiquarks-gluon interactions are the cause of the origin of the W⁻ boson and the Z⁰ boson. We will also demonstrate how the fine structure constant α originates. It is important to make clear, in future updates, we will describe the relationship that exists between the theory described in this paper and the Isospin theory, flavour and colour theory

Here, using the theory of electrical-quantum modelling of the neutron and proton as a three-phase alternating current electrical generator, we will analyse the proton decay and the inverse neutron decay and determine the following subatomic particles, Dproton, Protoniu, Dneutron and Neutroniumd.

Background. Shoulder in CrossFit should have a balance between mobility and stability. Glenohumeral internal rotation deficit and posterior shoulder stiffness are risk factors for overhead shoulder injury. Objective. To determine the effectiveness of instrument assisted soft tissue mobilization and horizontal adduction stretch in CrossFit practitioners’ shoulders. Methods: Twenty-one regular CrossFitters were allocated to experimental (stretching with isometric contraction and instrument assisted soft tissue mobilization) or control group (instrument assisted soft tissue mobilization). Each session lasted 5 minutes, 2 days a week, over a period of 4 weeks. Shoulder internal rotation and horizontal adduction (digital inclinometer), and posterior shoulder stretch perception (Park scale) were evaluated. Shapiro-Wilk test was used to analyze the distribution of the sample. Parametric student's t-test was used to obtain the intragroup differences. The inter- and intra-rater differences were calculated using a repeated measures ANOVA. Results. Changes were found in the experimental group following intervention (p < 0.05), and when comparing baseline and follow-up assessments (p < .05) in all variables. Significant differences were found in the control group following intervention (p < 0.05), in right horizontal adduction and left internal rotation. When comparing perception of internal rotation and horizontal adduction in both groups in the three assessments significant differences were found. Conclusions. Instrument assisted soft tissue mobilization can improve shoulder horizontal adduction and internal rotation. An instrument-assisted soft tissue mobilization technique yields the same results alone as those achieved in combination with post-isometric stretch with shoulder adduction.

Configurable process models are frequently used to represent business workflows and other discrete event systems among different branches of large organizations: they unify commonalities shared by all branches and describe their differences, at the same time. The configuration of such models is usually done manually, which is challenging. On the one hand, when the number of configurable nodes in the configurable process model grows, the size of the search space increases exponentially. On the other hand, the person performing the configuration may lack the holistic perspective to make the right choice for all configurable nodes at the same time, since choices influence each other. Nowadays, information systems that support the execution of business processes create event data reflecting how processes are performed. In this article, we propose three strategies (based on exhaustive search, genetic algorithms, and greedy heuristic) that use event data to automatically derive a process model from a configurable process model that better represents the characteristics of the process in a specific branch. These strategies have been implemented in our proposed framework, and tested in both business-like event logs as recorded in a higher educational ERP system, and a real case scenario involving a set of Dutch municipalities.

We are going to demonstrate the origin of dark energy, using a Hardwire similarity, a test that is carried out in terrestrial seismic with vibroseis in the search for gas and oil. In the first instance, we are going to analyse the mathematical function of Dirac's delta and compare it with the detonation of an explosive that is carried out in the search for gas and oil. Let's understand that in both cases a frequency spectrum is produced. We will also explain the meaning of a non-causal, zero-phase system; a causal system, of minimum phase, in order to determine the mathematical behaviour that corresponds to the Big Bang. Next, following the line of seismic, we will analyse a Hardwire Similarity to demonstrate that a vibroseis source, which generates a sweep, produces, in addition to the ideal sweep of fundamental frequencies, spurious harmonic frequencies and additional noise. We will show that this additional energy generated by the spurious harmonic frequencies and additional noise adds to the energy of the fundamental frequency sweep in analogy as dark energy does.

The Western ‘discovery’ of Japanese cinema in the 1950s prompted scholars to articulate essentialist visions understanding its singularities as a result of its isolation from the rest of the World and its close links to local aesthetic and philosophical traditions. Recent approaches however, have evidenced the limitations of this paradigm of ‘national cinema’. Higson (1989) opened a critical discussion on the existing consumption, text andproduction-based approaches to this concept. This article draws on Higson´s contribution and calls into question traditional theorising of Japanese film as a national cinema. Contradictions are illustrated by assessing the other side of the ‘discovery’ of Japanese cinema: certain gendaigeki works that succeeded at the domestic box office while jidaigeki burst into European film festivals. The Taiyōzoku and subsequent Mukokuseki Action created a new postwar iconography by adapting codes of representation from Hollywood youth and western films. This article does not attempt to deny the uniqueness of this film culture, but rather seeks to highlight the need to reformulate the paradigm of national cinema in the Japanese case, and illustrate the sense in which it was created from outside, failing to recognise its reach transnational intertextuality.

Here we will explain the correlation between the Kerr-Newman diagram and the theory: RLC electrical modelling of a black hole and the early universe. We will develop a black hole model that describes and explains both theories. In the development of our analysis, we will emphasize the following conditions: M² > Q² + a², M² = Q² + a² and M² < Q² + a² and we will also analyse the condition in which the mass of a black hole reaches its critical mass M = Mc. We will demonstrate that the interpretation of the Kerr-Newman diagram is equivalent to the interpretation of the theory: RLC electrical modelling of a black hole and the early universe. Finally, we will generalize the proposed model for a black hole and propose a black hole model formed by negative particles, neutroniumd, which after reaching critical conditions of mass, pressure, volume, temperature, density, etc.; decays into a positively charged black hole, protoniu. Let us remember that both models are formed by charged particles of matter (they do not contain antimatter), but their vector configuration means that the net charges of both proposed black holes are zero.

A two-factor account has been proposed as an explanatory model for the formation and maintenance of delusions. The first factor refers to a neurocognitive process leading to a significant change in subjective experience; the second factor has been regarded as a failure in hypothesis evaluation characterized as an impairment of metacognitive ability. This study was focused on the assessment of metacognition in patients with schizophrenia. The aims of the study were to measure the overconfidence in metacognitive judgments through the prediction of word list recall; and to analyze the correlation between basic neurocognition: memory and executive function and metacognition through a metamemory test and the severity of psychotic symptoms. Method: 51 participants with diagnosis the of Schizophrenia were evaluated. The PANNS was used to assess the severity of psychiatric symptoms and the subtest of Metamemory included in the BANFE Battery was used to evaluate overconfidence and underestimations errors, intrusion and perseverative response, and total volume of recall. Results. The strongest correlation are observed between overconfidence errors and the positive factor of the PANSS (r= 0.774, p

Here we mathematically model black holes following dynamics similar to RC electrical model, focusing on their similarities at the singularity. We use this mathematically modelling to hypothesize the origin and growth of a black Hole. Or model consists of several steps defined by: (1) the formation of a black hole following general relativity equations; (2) growth of the black hole modelled as a resistance-capacitance-like electrical circuit. Based on the mathematical modeling of a black hole following dynamics similar to an RC circuit, for a circular motion with constant acceleration, in which the condition is fulfilled, Vt = ω r, we are going to calculate the amount of dark matter in the Milky Way galaxies and the Andromeda galaxy and subsequently the rotation curve of both galaxies to compare them with observed or measured values.

Here we will model the curvature and contraction of space-time using as a basis the equation of state of an ideal gas and the Hawking´s equation for the temperature of a black hole. We will use this mathematical model to hypothesize that the Boltzmann´s constant depends on the state of matter, that is, there is a known Boltzmann´s constant for flat space-time and an effective Boltzmann´s constant for curved space-time. This model will allow us to quantify the structure of space-time and will serve as a basis to determine the origin of gravity and the origin of elementary particles. Using the Shannon-Boltzmann-Gibbs entropy relation, we will demonstrate that information is not lost and depends on the state of matter, the information is encoded and depends on the effective Boltzmann´s constant.

The effect of legumes adapted to a temperate climate on gas production kinetics, enteric methane, and rumen fermentation in vitro was evaluated. The species studied were Acacia dealbatha, Acacia melanoxylon, Albizzia lopantha, Lupinus pubescens, Inga insignes, Senna multiglandulosa and Tecoma stans. The effective degradation of the dry matter was estimated, the in vitro gas production was measured up to 120 hours of incubation, and the production of enteric methane, VFAs, and ammonia were measured at 24 hours. Dry matter, organic matter, ash, crude protein, neutral detergent fiber, acid detergent fiber, and acid detergent lignin were evaluated. The content of total phenols and condensed tannins was quantified. To determine digestibility, the samples were incubated for up to 120 hours. I. insignes presented a higher dry matter content and a high crude protein content. L. pubescens presented low dry matter digestibility. The neutral detergent fiber content was higher in I. insignes and with a higher value in dry matter digestibility and lower content of total phenols and condensed tannins. While S. multiglandulosa showed low detergent acid fiber content. The acid detergent lignin value was higher in I. insignes and lower in L. pubescens. In vitro gas and enteric methane production was higher in L. pubescens. propionic acid and ammonia they were higher in S. multiglandulosa. It is concluded that the amount of secondary compounds affects methane production, compromises digestibility and rumen kinetics of the legumes studied.

The orchid genus Brachystele Schltr. comprises 20 species distributed from Mexico to Argentina; 10 are found in Brazil. Anatomical studies of Orchidoideae Lindl. have been scarce, and the anatomy and histochemistry of Brachystele are still largely unknown. We characterized the vegetative organs of B. guayanensis (Lindl.) Schltr. using standard anatomical and histochemical microtechniques. Brachystele guayanensis was observed to display the anatomical characters commonly found in the vegetative organs of representatives of the Orchidaceae and Orchidoideae (including a uniseriate epidermis, thin cuticle, amphistomatic leaves, anomocytic, diacytic and tetracytic stomata, a homogeneous mesophyll, collateral vascular bundles, rhizomes with pericyclic fibers, roots with velamen, uniseriate exodermis, endodermis and pericycle). Histochemical tests confirmed the presence of lignin, proteins, and alkaloids, the lipidic nature of the cuticle, starch grains stored in spiranthosomes in the roots, and the composition of the raphides. Alkaloids were observed in great abundance, especially in the roots, and may have potentially useful medicinal activities, as has been observed in groups phylogenetically related to Brachystele.

We present an open-source Star Tracker (ST) for Attitude Determination. Our implementation makes use of open source software of common usage in astronomy running on a Raspberry Pi 2 platform. The developed platform is open and available for parties interested in further development. Evaluation of the system showed that the ST is suitable for Cubesats of 2U or larger. The ST platform is capable of solving the Lost-In-Space (LIS) problem. Currently, the average accuracy reached of the algorithm is close to 5 seconds of arc with an average processing time of 75 seconds. However, a average accuracy of about 3 minutes of arc can be reached with 35 seconds in average processing time. We also describe the evaluation procedure, the found conclusions of this procedure, in particular the section of the algorithm where most of the processing time is spent and other possible source of errors not included in this study.

A new sustainable polypropylene terephthalate (PPT) coating was synthesized from recycled polyethylene terephthalate (PET) and applied on hydraulic concrete substrate to improve its durability. First step, PET bottles wastes were grinded and depolymerized by glycolysis using propylene glycol (PG), in a Vessel-type reactor (20–180 °C) to synthesize bis(2-hydroxypropyl)-terephthalate (BHPT), which was applied as coating to one-three layers on hydraulic concrete substrate, by brushing technique and polymerized (150 °C for 15 h) to obtain PPT. PET, BHPT and PPT were characterized by FT-IR, PET and PPT by TGA, and the PPT coatings by SEM (thickness), by ASTM-D3359-17 (adhesion) and by water contact angle (wettability). The durability of hydraulic concrete coated with PPT was studied by resist chloride ion penetration (ASTM-C1202-17), carbonation depth at 28 days (RILEM-CPC-18), and absorption water ratio (ASTM-C1585-20). The results demonstrated that the BHPT and PPT were synthetized (FT-IR), PPT had a similar thermal behaviour to PET (TGA); the PPT coatings had good adhesion to the substrate, with thicknesses of micrometric units; hydrophilic (similar to PET coatings), and the durability of hydraulic concrete coated with PPT (2-3 layers) improved (migration of chloride ions decreased, carbonation depth was negligible, and the absorption water ratio decreased).

The era of digital technology has brought about a substantial shift in language development, especially for younger generations who have grown up surrounded by it. Language development is impacted by digital media exposure in both positive and bad ways. Positively, users can interact with a variety of linguistic communities across the globe by using digital platforms, which offer a wealth of options for linguistic exposure and practice. This exposure can promote imaginative language use, increase vocabulary, and improve reading comprehension. Since the brevity and informality of digital communication frequently stress speed over correctness, there are worries that digital media could encourage shallow communication, shorter attention spans, and a deterioration in professional writing skills. This paper aims to gather literature about language development in the digital age. In order to make sure that technical breakthroughs support language development, standards for the responsible and balanced use of digital media in educational settings must also be developed. Teachers can better support their students' language development in a constantly changing digital environment by remaining knowledgeable and flexible.

The copper mining industry is increasingly using artificial intelligence methods to improve cop-per production processes. Recent studies reveal the use of algorithms such as Artificial Neural Network, Support Vector Machine, and Random Forest, among others, to develop models for predicting product quality. Other studies compare the predictive models developed with these machine learning algorithms in the mining industry, as a whole. However, not many copper mining studies published compare the results of machine learning techniques for copper recovery prediction. This study makes a detailed comparison between three models for predicting copper recovery by leaching, using four datasets resulting from mining operations in northern Chile. The algorithms used for developing the models were Random Forest, Support Vector Machine, and Artificial Neural Network. To validate these models, four indicators or values of merit were used: accuracy (acc), precision (p), recall (r), and Matthew’s correlation coefficient (mcc). This paper describes dataset preparation and the refinement of the threshold values used for the predictive variable most influential on the class (the copper recovery). Results show both a precision over 98.50% and also the model with the best behavior between the predicted and the real. Finally, the models obtained show the following mean values: acc=94.32, p=88.47, r=99.59, and mcc=2.31. These values are highly competitive as compared with those obtained in similar studies using other approaches in the context.

Molecules sourced from marine environments hold immense promise for the development of novel therapeutic drugs, owing to their distinctive chemical compositions and valuable medicinal attributes. Notably, Talarolide A and Talaropeptides A-D have gained recent attention as potential candidates for pharmaceutical applications. This study aims to explore the chemical reactivity of Talarolide A and Talaropeptides A-D through the application of molecular modeling and computational chemistry techniques, specifically employing Conceptual Density Functional Theory (CDFT). By investigating their chemical behaviors, the study seeks to contribute to the understanding of the potential pharmacological uses of these marine-derived compounds. The investigation involves the utilization of molecular modeling and computational chemistry tools, with a specific focus on Conceptual DFT. These techniques are applied to examine the chemical reactivity of Talarolide A and Talaropeptides A-D, shedding light on their potential for interacting with various biological targets. The research reveals insights into the chemical reactivity of Talarolide A and Talaropeptides A-D, uncovering active reaction sites and potential biological targets. Talarolide A demonstrates robust anti-inflammatory properties and antitumor activity against diverse cancer cell lines, while Talaropeptide A displays antimicrobial efficacy against both bacteria and fungi. The study underscores the significance of comprehending the chemical reactivity of natural marine products for advancing pharmaceutical development. By employing computational tools such as Conceptual DFT, this research uncovers crucial information about the active sites and potential targets of Talarolide A and Talaropeptides A-D. The findings contribute to the broader understanding of marine-derived peptides and their prospects as pharmaceutical agents, though further investigations are necessary to fully elucidate their pharmacological attributes.

Background: The life courses of sexually and gender diverse individuals are shaped by a series of events that include acceptance of one’s own sexual orientation or gender identity, the coming out process, socialization in the LGBTQ+ environment. Generally experienced in a cis-heteronormative context, it is marked by stigma and discrimination and the social harms they can cause, including a higher-than-average prevalence of alcohol use. Objectives: To profile the alcohol use of SGD youth from a life course perspective; and to explore individual perceptions regarding the personal, social and cultural factors (including stigmatization and its consequences) modulating their consumption. Methodology: This qualitative descriptive study is grounded in symbolic interactionism. Semi-structured interviews lasting approximately 90 minutes were conducted with LGBTQ+ youth aged 18 to 30 using alcohol at least once a week. A thematic analysis was performed. Results: 31 individuals aged 18–29 (average age: 25) were interviewed. The average score regarding alcohol use was 14.25 (SD: 4–31), which corresponds to moderate risk and indicates the need for a brief intervention. Our study document how higher alcohol use among LGBTQ+ youth is shaped by individual, community and cultural factors at different points in the queer life course. Among the factors influencing drinking are the emotions experienced when questioning sexual orientation and/or gender identity as well as the feelings resulting from stigma and discrimination. Our findings also indicate the influence of socializing in the queer community and meeting peers and partners, as well as that of LGBTQ+ cultural practices. Discussion: Our study indicates the need for grassroots-level interventions that work to mitigate social pressures in queer socialization contexts. Accordingly, any intervention, whether preventive or therapeutic, must consider the interplay of personal, social, community and cultural factors. Interventions regarding alcohol use must build on the strengths of community and the sense of belonging.

This work presents the results of a computational study of the chemical reactivity and bioactivity properties of the members of the Theopapuamides A-D family of marine peptides by making use of our own proposed methodology named Computational Peptidology (CP) that has been successfully considered in previous studies of this kind of molecular systems. CP allowed for the determination of the global and local descriptors that come from Conceptual Density Functional Theory (CDFT) that can give an idea of the chemical reactivity properties of the marine natural products under study which are already known to be related to their bioactivity. At the same time, the validity of the procedure based on the adoption of the KID (Koopmans in DFT) technique as well as the MN12SX/Def2TZVP/H2O model chemistry has been successfully verified. Together with several Chemoinformatic tools that can be used for the improvement of process of Virtual Screening, some additional properties of these marine peptides were identified related to their ability to behave as useful drugs. With the further object of analyzing their bioactivity some parameters of usefulness for future QSAR studies, their predicted biological targets and the the ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) parameters related to the Theopapuamides A-D pharmacokinetics are also reported.

The mechanisms underlying the establishment of asymmetric structures during development remain elusive. The wing of Drosophila is asymmetric along the Anterior-Posterior (AP) axis, despite that its growth signals that drive its growth are presumably symmetric. Here, we investigated the contribution of cell recruitment, a process that drives wing fate differentiation in Drosophila, to the asymmetric shape and pattern of the adult wing. Genetic impairment of cell recruitment results in a significant reduction in adult wing asymmetry, primarily affecting the region between longitudinal vein 5 and the wing margin (L5-M). Morphometric analysis reveals that the lack of cell recruitment results in a more symmetric wing with respect to the AP, suggesting a contribution of cell recruitment to the establishment of asymmetry in the adult wing. A close examination of the expression of the wing selector gene vestigial (vg) in wing disc does not support this hypothesis. However, the circularity of the Vg pattern significantly increase in recruitment-impaired wing disc, suggesting that while the decrease of the L5-M region in the adult wing may not be attributed to cell recruitment, it could contribute to the overall asymmetry of the adult wing. We conclude that cell recruitment, a widespread mechanism that participates in growth and patterning of several developing systems, could drive, at least partially, the asymmetric shape of the Drosophila wing.

Climate change is expected to affect the agricultural sector in ways that are often unclear to predict. If in the short- medium-terms farmers may adapt to climate change by adjusting agricultural practices, in the long-term these adjustments may become insufficient, forcing farmers to change their farming systems. The extent and direction in which these farming system transitions will occur is still a subject underexplored in the literature. We propose a new framework to explore the marginal effect of climate change on the choice of the farming system, while controlling the effect of other drivers known to also influence farming system choice. Using a spatial-explicit farming system choice-model developed by a previous study in an extensive agricultural region of southern Portugal, we applied a space-for-time approach to simulate the effect of climate change on the future dynamics of the farming systems in the study area. Results suggest that climate change will force many farmers to change the farming system in a foreseeable future. The extent of the projected changes in farming systems is likely to trigger significant social, economic, or environmental impacts, which should require early attention from policy makers.

Mexico is currently facing important water management challenges. Cities in the country are facing water scarcity and at the same time, they struggle with floods during the raining season. The water sensitive urban design (WSUD) approach has proved to be helpful in tackling urban water challenges such as floods and water scarcity and it is being implemented in cities around the world. The WSUD approach highlights the role of both the water cycle and the water utilities systems, when transitioning towards a water sensitive stage. Therefore, the objective of this research is to analyse the current situation of the water cycle and the water utility (SIAPA). To do so, we have selected the Metropolitan Area of Guadalajara (MAG) and proposes a case study approach. Within our case of study, we answer two questions: 1) What are the causes of water scarcity and flooding in the MAG? and 2) What are the proposals to solve these problems under a WSUD approach? By answering these questions, we identified that the water management in the MAG corresponds to a single purpose infrastructure. This type of management does not contribute to solve the problems of water scarcity and floods. The water supply policy is based only on the construction of large dams disregarding the storage and use of rainwater, and reuse of greywater, and water-conservation devices. In order to transition towards a water sensitive stage, a WSUD approach that includes multi-purpose infrastructure should be considered. Such as green roofs, swales, rainwater gardens, infiltration trenches, etc.

Geopolymers, made from aluminosilicate raw materials, offer significant environmental advantages over conventional concrete (CC) mixes. This study explores the compressive strength, setting time, and durability of geopolymer concrete (GPC) cylinders, some of which include an additional ordinary portland cement (OPC) mix. Consistent material composition and testing methods are emphasized to achieve reliable results. MATLAB was utilized to develop and assess a neural network model predicting the compressive strength of GPC based on key variables. The model was validated using 16 experimental samples and 1047 samples from various studies. The performance plot displayed the Mean Squared Error (MSE) over iterations, identifying the best training performance at epoch 658 with an MSE of 5.3408. The Error Histogram highlighted distribution errors between predicted and actual compressive strength values, with the highest range from -1.015 to 0.3587, meaning that the predicted values were mostly within a small margin of error from the actual values. This narrow error range indicates that the ANN model has high accuracy in its predictions, as most errors are small and clustered around zero, demonstrating reliable performance in estimating compressive strength. Regression analysis showed varying correlation coefficients (training set R=0.98373, test set R=0.88164, and whole set R=0.96982), indicating adequate predictive accuracy. The results demonstrate that properly trained neural networks can effectively predict the compressive strength of GPC, highlighting its potential as a sustainable construction material.

Polyolefin fibre reinforced concrete (PFRC) has become an attractive alternative to steel for the reinforcement of concrete elements mainly due to its chemical stability and the residual strengths that can be reached with lower weights. The use of polyolefin fibres can meet the requirements in the standards, although the main constitutive relations are based on the experience with steel fibres. Therefore, the structural contributions of the fibres should be assessed by inverse analysis. In this study, the fibre dosage has been fixed at 6kg/m³ and both self-compacting concrete and conventional concrete have been used to compare the influence of the positioning of the fibres. An idealized homogeneous distribution of the fibres with such fibres crossing from side to side of the specimen has been added to self-compacting concrete. The experimental results of three-point bending tests on notched specimens have been reproduced by using the cohesive crack approach. Hence, the constitutive relations were found. The significance of this research relies on the verification of the formulations found to build the constitutive relations. Moreover, with these results it is possible to establish the higher threshold of the performance of PFRC and the difficulties of limiting the first unloading branch typical of fracture tests of PFRC.

Centropomus undecimalis (common snook, sergeant fish or robalo) and Centropomus parallelus (fat snook, smallscale fat snook, little snook or chucumite) have tropical and subtropical wide distribution from southern Florida (Gulf of Mexico) to southern Brazil (Rio Grande do Sul) waters, and due the value of their flesh, these species have been explored with predatory fishing, generating a deficiency for their conservation. Adequate conservation of this species depends on population genetic parameters. Thus, in this study, we used microsatellite markers to investigate the genetic variability and the genetic characterization of C. undecimalis and C. parallelus populations, identifying if the citations species are geographically connected, using 10 loci of microsatellites, bringing strategies of management, sustainability, and conservation for species citations, and providing genetic subsidies needed to be used in breeding programs for snooks. Microsatellite molecular genetic markers were efficient in the study of the genetic variability of the samples of C. parallelus and C. undecimalis, resulting in data on the genetic structuring of these populations, thus aiding in their management and conservation. The data presented may provide subsidies for future use in programs aimed at animal breeding of sea bass, establishing tools for use in fish farming. In addition, despite being two species that are not on the endangered list, we can observe that there are genetic differences between the studied populations of the same species.

Climate and land-use changes have been contributing to increase the occurrence of extreme wild-fires, shifting fire regimes and driving desertification, particularly in Mediterranean-climate regions. However, few studies have researched the effects of land-use change on fire regimes and carbon storage at the broad national scale. To address this gap, we used spatially explicit data from annual burned areas in mainland Portugal to build a typology of fire regimes based on the accumulated burned area and its temporal concentration (Gini index) between 1984 and 2019, which was combined with 2018 carbon stock data (above- and below-ground), and a landscape typology re-sulting from cluster analysis over land-use composition, diversity and configuration, to explore relationships between landscape types and the two major ecosystem services at stake: wildfire reduction and carbon stock. Cross tabulations, logistic and linear regressions were performed on these data and results revealed a strong relationship between landscapes dominated by maritime pine and eucalypt forest plantations and high-hazardous fire regime but hold the highest carbon stock. Shrubland-mixed landscapes were associated with lower carbon stocks but less hazardous fire regimes. Specialized agricultural landscapes, as well as mixed native forests and mixed agro-forestry landscapes, were the least associated with wildfires. In the case of agricultural landscapes however, this good wildfire performance is achieved at the cost of the poorest carbon stock, de-noting land degradation, whereas native forests and agroforestry landscapes strike the best trade-off between carbon stock and fire regime. Our findings support how nature-based solutions promoting wildfire mitigation and carbon stock ecosystem services may prevent and revert land degradation harming Mediterranean regions.

Several methods have been tried to estimate air temperature using satellite imagery. In this paper, the results of two machine learning algorithms, Support Vector Machine and Random Forest, are compared with Multivariate Linear Regression, TVX and Ordinary kriging. Several geographic, remote sensing and time variables are used as predictors. The validation is carried out using four different statistics on a daily basis allowing the use of ANOVA to compare the results. The main conclusion is that Random Forest with residual kriging produces the best results (R$^2$=0.612 $\pm$ 0.019, NSE=0.578 $\pm$ 0.025, RMSE=1.068 $\pm$ 0.027, PBIAS=-0.172 $\pm$ 0.046), whereas TVX produces the least accurate results. The environmental conditions in the study area are not really suited to TVX, moreover this method only takes into account satellite data. On the other hand, regression methods (Support Vector Machine, Random Forest and Multivariate Linear Regression) use several parameters that are easily calculated from a Digital Elevation Model, adding very little difficulty to the use of satellite data alone. The most important variables in the Random Forest Model were satellite temperature, potential irradiation and cdayt, a cosine transformation of the julian day.

In 2015, the Self-Action Leadership Theory—a qualitative, nomological expansion of self-leadership theory rooted in atmospheric and astronomical metaphor aimed at expanding the personal freedom of individuals, organizations, and nations by bolstering the existential growth of individuals through a series of Maslow-esque stages of holistic, personal development. This article introduces an accompanying, practitioner-based Model of Self-Action Leadership (SAL) aimed at the implicit enhancement of a holistic range of administrative processes through explicit training, mentoring, and coaching in the model’s general and universally-applicable principles and practices. The SAL model produces an original construct of personal leadership practice that builds upon the extant self-leadership academic canon, which dates back to 1983 (Manz, 1983). It also provides an analogue to four of the five core processes of Project Management by positioning a self-action leader (an individual) as the ongoing “project” at hand. The SAL Model is rooted in action research and was developed through a variety of self-oriented, action research projects in conjunction with a comprehensive, qualitative, analytical autoethnographic study of a scholar’s life experiences.

The Convective Rainfall Rate from Cloud Physical Properties (CRPh) for Meteosat Second Generation Satellites is a day-only precipitation algorithm developed at the Spanish Meteorological Agency (AEMET) for EUMETSAT’ Satellite Application Facility in support to Nowcasting and Very Short Range Forecasting (NWC SAF). It is therefore mainly intended to provide input for monitoring and near-real-time forecasts for the next few hours. This paper critically discusses the theoretical basis of the algorithm with special emphasis in the empirical values and assumptions in the microphysics of precipitation and compares the performances of the CRPh with its antecessor, the Convective Rainfall Rate algorithm (CRR), using an object-based method. The analyses show that AEMET’s CRPh is physically consistent and that outperforms the CRR. The applicability of the algorithm for nowcasting and the challenges to evolve the product to an all-day algorithm are also presented.

In this article, we give a brief review of the origin of the neutrino mass in some interesting non-linear supersymmetric models with R-symmetry. These models are able to address and solve the most important problems of the particle physics and provide mechanisms for neutrino mass generation and their mixing parameters in agreement with the current experimental data. Their prediction could be experimentally tested in the near future by collider experiments.

Braskem is the only company in the world that produces green polyethylenes (HDPE – high density polyethylene and LLDPE – linear low density polyethylene) derived from the dehydration of sugarcane ethanol. Although the performance of green and fossil nominally same polyethylenes are equivalent, commercial clients may use blends of up to 51% of green polyethylenes and 49% of fossil polyethylenes and still have the right to use the I’m greenTM label which appeals to environmental conscious consumers and places these companies in a noticeable position. The Annual Income Statement - AISs from 2010, when Braskem started production of green PE, until 2018, show there was growth of revenues. Despite of the production of polyethylenes have continued stable and the number of green polyethylenes patents have decreased since 2014, the profits with the BRKM5 stocks increased. There is no transparency of how carbon credits were gained and in the AIS. Investments in securities in the Brazilian financial market (BRKM5 and carbon credits) are much more attractive than the investment in new patents, because they generate greater gains (268% increase in the average share price of BRKM5 from 2012 to 2018) and do not require large investments in R&D.

This study addresses the problem of accurately predicting azimuth and elevation angles of signals impinging on an antenna array employing Machine Learning (ML). Using the information obtained at a receiving system when a transmitter’s signal hits it, a Decision Tree (DT) model is trained to estimate azimuth and elevation angles simultaneously. Simulation results demonstrate the robustness of the proposed DT-based method, showcasing its ability to predict the Direction of Arrival (DOA) in diverse conditions beyond the ones present in the training dataset, i.e., the results display the model’s generalization capability. Additionally, the comparative analysis reveals that DT-based DOA estimation outperforms the state-of-the-art MUltiple SIgnal Classification (MUSIC) algorithm, establishing DTs as competitive alternatives for DOA estimation in signal reception systems.

Background/aim: Sexual harassment has become a serious social and public health problem in adolescence, causing adverse effects on mental health. Nevertheless, some behaviours arise that, due to their characteristics, might be misinterpreted as sexual harassment. A field study, a survey with a non-probabilistic accidental sampling, was designed in order to estimate the prevalence of sexual harassment victimization in the Spanish adolescent population, as well as to quantify the harms. Method: 1028 Spanish adolescents, 54.3% females and 45.7% males, aged 13-17 years (M = 15.21, SD = 1.03), responded to a diagnostic measure of sexual harassment victimization and an inventory measure of internalizing and externalizing Mental Health Problems (MHPs). Results: The results showed a significant prevalence of diagnosed sexual harassment victimization of school-aged adolescents, 24.1%, 95% [.215, 267], with adverse effects on internalizing and externalizing MHPs. As for the internalizing MHPs, the results showed moderate adverse effects on depression, anxiety, somatic burns, posttraumatic symptoms, and obsessive-compulsive symptoms; and mild adverse effects on social anxiety. With regard to externalizing MHPs, the results revealed moderate adverse effects on hyperactivity-impulsivity, anger control and antisocial behaviour; and mild adverse effects on attention problems, aggression and defiant behaviour. In addition, it was corroborated that sexual harassment victimization affects adolescent females to a greater extent, with the effect being significantly greater in internalizing than in externalizing MHPs. Conclusions: The results obtained are discussed and future lines of research and intervention are proposed to promote the implementation of prevention and intervention programs that address this phenomenon and, in turn, improve the physical, psychological, and social well-being of adolescents.

The purpose of this study was to analyze the cross-linguistic influence of previously learned languages and working memory capacities on the vocabulary performance of two different typological languages. The objectives of this study were (1) to compare the working memory capacities of bilingual adults in relation to the vocabulary performance of two different languages never learned by the participants, and (2) to analyze to what extent the typology of previously learned languages influences working memory capaci-ties in relation to the vocabulary performance of French and Nahuatl. A group of 43 Mexican-Spanish college students participated in this experimental study. The participants completed a series of working memory tasks in Nahuatl and French. The results showed that working memory capacities were lower in Nahuatl than in French. Thus, a correlation was found between their first and second language and vo-cabulary performance in French. We can consider the influence of previously learned languages as a significant factor in vocabulary acquisition in accordance with the participants' working memory capacities.

Companies have been increasing the amount of data that they collect from their systems and processes, considering the decrease in the cost of memory and storage technologies in recent years. The emergence of technologies such as Big Data, Cloud Computing, E-Science, and the growing complexity of information systems made evident that traceability and provenance are promising approaches. Provenance has been successfully used in complex domains, like health sciences, chemical industries, and scientific computing, considering that these areas require a comprehensive semantic traceability mechanism. Based on these, we investigate the use of provenance in the context of Software Process (SP) and introduce a novel approach based on provenance concepts to model and represent SP data. It addresses SP provenance data capturing, storing, new information inferencing and visualization. The main contribution of our approach is PROV-SwProcess, a provenance model to deal with the specificities of SP and its ability in supporting process managers to deal with vast amounts of execution data during the process analysis and data-driven decision-making. A set of analysis possibilities were derived from this model, using SP goals and questions. A case study was conducted in collaboration with a software development company to instantiate the PROV-SwProcess model (using the proposed approach) with real-word process data. This study showed that 87.5% of the analysis possibilities using real data was correct and can assist in decision-making, while 62.5% of them are not possible to be performed by the process manager using his currently dashboard or process management tool.

The wave energy converter (WEC) technology constantly develops new designs and models. To encourage its development within the energy sector, research is required to improve current designs and create durable and effective devices. However, it is also crucial to investigate the suitability of a WEC to a site-specific sea condition as this can impact its optimal power absorption and constructability. This study evaluates and compares the efficiency of a heaving buoy with varied geometries in one of the most energetic places along the Mexican coast. A statistical analysis of the wave climate on the coast of Ensenada during the last 42 years is performed to define the conditions to which the device is subjected. The location of the WEC in shallow waters is chosen using a computational model which solves the modified mild slope equation in its elliptic shape. The heaving buoy floater is studied using three distinct geometries: a semi-sphere, a cylinder, and a proposed rounded semi-rectangle. The hydrodynamic response of the three geometries is then analysed in the frequency and time domain using ANSYS AQWA. The hydrodynamic study involves the assessment of the floating body dynamics, exerted forces, the power absorbed as well as the suitability of the proposed power take-off (PTO) system. Findings reveal that the proposed geometry absorbs the most energy, with an annual power of 135.11 MW, and that the transmission PTO design is appropriate for this type of technology.

In the last decade several projects have been developed for the digitization and semantization of cultural heritage data. They were developed to preserve and maintain this heritage, but bringing it closer to all types of users and allowing access to this information to other sectors such as tourism, education, etc. In these developments, web technologies are combined, along with the use of knowledge graphs and interactive visualisation tools. Although remarkably interesting projects have been developed, in those projects, the data visualization tools are usually focused on the project context. This makes it difficult to reuse these jobs. Additionally, there are peculiarities of cultural heritage data considered with little depth, such as uncertainty, spatial and temporal granularity, as well as other aspects, such as relationships between data. In this article, these problems are described and based on other works such as VUMO or VISO, the design of an ontology that formalizes how to visualise this information is proposed, considering these problems. In addition, the development of a platform that allows the visualisation of this information through a web application and its evaluation of its use in projects such as SILKNOW, or Arxiu Valencià del Disseny is exposed

The use of commodity polymers such as polypropylene (PP) is key to open new market segments and applications for the additive manufacturing industry. Technologies such as powder-bed fusion (PBF) can process PP powder; however, much is still to learn concerning process parameters for reliable manufacturing. This study focusses in the process-property relationships of PP using laser-based PBF. The research presents an overview of the intrinsic and the extrinsic characteristic of a commercial PP powder as well as fabrication of tensile specimens with varying process parameters to characterize tensile, elongation at break, and porosity properties. The impact of key process parameters, such as power and scanning speed are systematically modified in a controlled design of experiment. The results were compared to the existing body of knowledge; the outcome is to present a process window and optimal process parameters for industrial use of PP. The computer tomography data revealed a highly porous structure inside specimens ranging between 8.46% and 10.08%, with porosity concentrated in the interlayer planes in the build direction. The results of the design of experiment for this commercial material show a narrow window of 0.122 ≥ Ev ≥ 0.138 J/mm³ led to increased mechanical properties while maintaining geometrical stability.

This paper seeks to optimize the mechanical and durability properties of ultra-high performance concrete (UHPC). To meet this objective, concrete specimens were manufactured by using 1,100 kg/m3 of binder, water/binder ratio 0.20, silica sand and last generation of superplasticizer. Silica fume, metakaolin and two types of nano silica were used for improving the performances of the concrete. Additional mixtures included 13mm long OL steel fibers. Compressive strength, electrical resistivity, mercury intrusion porosimetry tests and differential and thermogravimetric thermal analysis were carried out. The binary combination of nano silica and metakaolin, and the ternary combination of nano silica with metakaolin and silica fume, led to the best performances of the UHPC, both mechanical and durable performances.

Background. The measurement of physical performance constitutes an indicator of physical functional capacity and allows the design of physical exercise programs adapted to the individual abilities and needs of older adults with and without frailty. Aim. To present a synthesis of knowledge on the effect of exercise programs on physical performance in older adults with and without frailty in the community. Method. A systematic review was carried out in accordance with the PRISMA-2020 criteria. The search for articles was made until May 4, 2023 in PubMed, Scopus, Web of Science, Cochrane Library, SciELO and LILACS. The outcome variable was physical performance, measured through the SPPB (Short Physical Performance Battery). The mean difference (MD) was estimated to evaluate the effect. Results. We found 2,483 studies, of which 12 met the eligibility criteria for the systematic review and 9 for the meta-analysis. The effect of exercise on SPPB score was significantly higher in the exercise group compared to control in non-frail older adults with MD=0.51 [95% CI, 0.05 to 0.96, p&lt;0.05]. Likewise, in older adults with frailty, the effect of exercise on the global SPPB score was significantly higher in the exercise group compared to the control with an MD=0.66 [95% CI, 0.09 to 1.24, p&lt;0.05 ]. Conclusion. Our findings suggest that exercise programs are effective in increasing and/or maintaining physical performance in older adults with and without frailty, whose effect is more evident in older adults with frailty, probably due to the greater margin of recovery of intrinsic capacity.

Introduction: Individuals with gout are at higher risk of developing chronic conditions, such as diabetes, chronic kidney disease (CKD), and cardiovascular diseases. In this study, the association between urate-lowering therapy (ULT) use and the prevalence of these conditions was evaluated. Methods: This observational, cross-sectional pharmacoepidemiologic study used the 2013-2018 biannual cycles of the National Health and Nutrition Examination Survey. The inclusion criteria were adults 30 years of age and older with a diagnosis of gout. The association between ULT treatment status and dyslipidemia, coronary heart disease, heart failure, hypertension, and chronic kidney disease was evaluated, as well as associations with select clinical laboratory biomarkers. Results: Use of ULT was 28.9% (95%CI 24.3%-33.9%). There was no significant association between ULT use and the prevalence of heart failure, coronary heart disease, hypertension, or dyslipidemia (p>0.05). Those on ULT had a lower mean eGFR compared to those not on treatment (68.03 versus 74.74 mL/min/1.73m², p=0.014). LDL- and HDL- and total cholesterol were significantly lower among those receiving ULT treatment (p<0.05). Conclusion: ULT use continues to be low among those with gout. Those on ULT were more likely to be diagnosed with CKD, college graduates and above, older males, and obese. Clinical guidelines conditionally recommend ULTs in co-morbid kidney disease; while our results may reflect guidelines recommendation for ULT use in CKD patients, worsening kidney function while taking ULT is unlikely. Further research is necessary to determine the long-term impact of ULTs on kidney function and cardiovascular biomarkers.

In the southeastern coast of Brazil, the bays of Ilha Grande and Sepetiba are linked by the Ilha Grande Channel, where remarkably vigorous currents have been consistently observed. The sheer intensity of these currents defies a simple explanation through tidal forcing alone, prompting researchers to delve into potential influences such as basin resonance and the baroclinic effect. This study aims to elucidate the role of remote meteorological effects within this complex hydrodynamic system. A numerical approach with a coastal model nested within an ocean model was employed, enabling an in-depth examination of the intricate interplay between meteorological and tidal forcings. The study revealed a significant finding: the lag in signal propagation plays a pivotal role in determining how these signals impact the dynamics of the bays. The astronomical signal exhibits a minimal lag along the coast (1 minute), and leads to water level differences between the sea and the coastline, resulting in the generation of tidal currents at the bay entrances. On the other hand, the remote meteorological signal, with a stronger signal lag along the coast (4.92 hours), leads to the creation of water level difference between the bay’s entrances, inducing significant fluxes along the narrow Ilha Grande Channel.

In the whole world, including Mexico, the rising prevalence of diabetes poses significant challenges to healthcare systems, with a notable impact on hospital admissions even being an ambulatory care sensitive condition, that means, hospital admissions are avoidable. Traditional healthcare methodologies have been instrumental in managing diabetes and preventing complications, yet they often face limitations such as merging, cleansing, and outlier analysis of health data to identify and address diseases effectively. This paper aims to address this gap by conducting a comprehensive comparison of the methodologies used in healthcare and data science for this purpose. This work uses hospital diabetes discharge records from 2010 to 2023, a total of 36,665,793 records, which belong to medical units of the Ministry of Health of Mexico. In this work, we seek to provide the arguments why as a data scientist it is mandatory to learn the field of knowledge of the problem and its implications if this is not done, and therefore to disclose insights that can help in policy decisions and reduce the burden of avoidable hospitalizations. The approach is mainly based on the standardization or adjust rates by sex and age groups. This study provides the foundations for a new way of data scientist must deal with health data.

The combined effects of the thermal processing (i.e., sterilisation treatment) and the prior frozen storage time (3 or 6 months at –18 ºC) on the quality loss in canned Atlantic horse mackerel (Trachurus trachurus) were determined. Thus, the sterilisation step led to a remarkable (p&lt;0.05) formation in canned fish muscle of fluorescent compounds, free fatty acids (FFAs) and trimethylamine and to an increase of the L* and b* colour parameters; meantime, a decrease (p&lt;0.05) of the total ω3 FA/total ω6 FA ratio and the a* colour value were detected. The prior frozen storage period led to an increased (p&lt;0.05) lipid oxidation (peroxide, thiobarbituric acid reactive substance and fluorescent compound formation) and hydrolysis (FFA formation) development and to increased L* and b* colour values in the corresponding canned samples; additionally, a lower (p&lt;0.05) polyene index and phospholipid content were observed in canned fish previously subjected to frozen storage. In most indices, physico-chemical changes related to quality loss were found higher if the previous storage period was increased. According to the marked effects of the sterilisation step and the prior frozen storage period, optimisation of such processing conditions is recommended to maximise the quality of canned horse mackerel.

Background: Exercise is an accepted intervention to improve the quality of life (QoL) of breast cancer patients. Exercise programs have been developed and all have shown satisfactory results in improving QoL. There is a lack of research comparing different prescription modalities. The aim of this study is to evaluate the effectiveness of physical exercise (in-person, home-based, prescription) on QoL in breast cancer patients actively undergoing treatment; Methods Quasi-experimental study with randomized assignment to three groups (in-person: guided and supervised in-person exercise program; home-based exercise: guided and supervised exercise program with streaming monitoring; recommendation: exercise recommendation). Quality of life was measured using the QLQ-C30 questionnaire. Baseline and 24-week analysis. Results: The total sample analyzed was n=80. QoL improved significantly at 24 weeks in the face-to-face and home-based exercise groups, but not in the advice group. Exercise in all modalities improved fatigue, nausea, vomiting, appetite, and constipation. QoL at 24 weeks depended on active chemotherapy, tumor type, and assigned exercise group (r2 = 0.503; p &lt; 0.001). Conclusions: QoL in breast cancer patients undergoing active treatment improves after a 24-week exercise program, especially in face-to-face and home-based exercise. Home-based exercise, streaming-based recommendation is a viable option for exercise recommendation.

The current challenges in the food packaging field are, on one side, replacing plastic from non-renewable sources with biopolymers and, on the other hand, generating a packaging material with attractive properties for the consumer. Nowadays, the consumer is concerned ecologically; the food packaging industry must ahead satisfy their needs. In this sense, incorporating several compounds with properties such as antioxidant, antimicrobial, or nutraceutical properties results attractive for the consumers. However, many of these properties can be diminished, so an encapsulation system is required. A good encapsulating system is crucial for these purposes, so polyelectrolyte complexes (PECs) can be used with that finality. Nowadays, PECs are eye-catching in many fields because of their fascinating properties, which make them very attractive, mainly for being used as encapsulating systems. Hence, this paper reviews the use of PECs in food packaging where chitosan forms polyelectrolyte complexes.

A methodology based on the concepts that arise from Density Functional Theory named Conceptual Density Functional Theory (CDFT) was chosen for the calculation of some global and local reactivity descriptors of the Discodermins A-H family of marine peptides through the consideration of the KID (Koopmans in DFT) technique that was successfully used in previous studies of this kind of molecular systems. The determination of active sites of the studied molecules for different kind of reactivities was achieved by resorting to some CDFT-based descriptors like the Fukui functions as well as the Parr functions derived from Molecular Electron Density Theory (MEDT). A few properties identified with their ability to behave as a drug and the bioactivity of the peptides considered in this examination were acquired by depending on a homology model by studying the correlation with the known bioactivity of related molecules in their interaction with various biological receptors. With the further object of analyzing their bioactivity some parameters of usefulness for future QSAR studies, their predicted biological targets and the the ADME (Absorption, Distribution, Metabolism, and Excretion) parameters related to the Discodermins A-H pharmacokinetics are also reported.

Humulus lupulus, or hops, is a vital ingredient in brewing, contributing bitterness, flavor, and aroma. The female plants produce strobiles rich in essential oils and acids, along with bioactive compounds like polyphenols, humulene, and myrcene, which offer health benefits. This study examined the aromatic profiles of five hop varieties grown in Brazil versus their countries of origin. Fifty grams of pelletized hops from each strain were collected and analyzed using HS-SPME/GC-MS to identify volatile compounds, followed by statistical analysis with PLS-DA and ANOVA. The study identified 330 volatile compounds and found significant aromatic differences among hops from different regions. For instance, H. Mittelfrüher grown in Brazil has a fruity and herbaceous profile, while the German-grown variety is more herbal and spicy. Similar variations were noted in Magnum, Nugget, Saaz, and Sorachi Ace varieties. The findings underscore the impact of terroir on hop aromatic profiles, with Brazilian-grown hops displaying distinct profiles compared to their counterparts from their countries of origin, including variations in aromatic notes and α-acid content.

Size effect on plain concrete specimens is well known and can be correctly captured when performing numerical simulations by using a well characterised softening function, but in the case of fibre reinforced concrete this is not directly applicable, since an only diagram cannot capture the material behaviour on elements with different size due to dependence of the orientation factor of the fibres with the size of the specimen. In previous works, the use of a trilinear softening diagram proved to be very convenient for reproducing fracture of polyolefin fibre reinforced concrete elements, but only if it is previously adapted for each specimen size. In this work, a predictive methodology is used to reproduce fracture of polyolefin fibre reinforced concrete specimens of different sizes under three-point bending. Fracture is reproduced by means of a well known embedded cohesive model, with a trilinear softening function that is defined specifically for each specimen size. The fundamental points of these softening functions are defined a priori by using empirical expressions proposed in past works, based on an extensive experimental background. Therefore, the numerical results are obtained in a predictive manner, and then compared with a previous experimental campaign, showing that this approach properly captures the size effect, although some values of the fundamental points in the trilinear diagram could be defined more accurately.

Lifestyle has been associated with breast cancer risk through different pathways, including oxidative stress. Antioxidant enzymes are endogenous defense mechanisms against oxidative stress damage, and this response might be modulated by the genetic variation in these enzyme-codifying genes. This study aimed to analyze the synergistic effect of an antioxidant Healthy Lifestyle Index (HeLiX) composed of principal components of Western dietary pattern, alcohol consumption, smoking and physical activity, and genetic polymorphisms in the first-line antioxidant response family genes SOD, GPX, and CAT on breast cancer risk. We included 176 SNPs, and only CAT rs554576 remained significant after correction for multiple comparisons. Breast cancer odds were reduced at the highest (T3) and medium (T2) tertiles of the HeLiX. When stratified by HeLiX, we observed a reduced risk of breast cancer with at least one T-allele, and the effect increased in a dose-dependent manner. Compared to the reference category (HeLiX T1 and AA genotype), women at the HeLiX T3 with AT and TT genotypes in postmenopausal women showed an OR = 0.15 (95% CI 0.07–0.32). For HeLiX T2 and AT genotype OR = 0.26 (95% CI 0.13–0.54); for TT genotype OR = 0.24 (95% CI 0.12–0.45). For premenopausal women, at the HeLiX T3 and AT genotype OR = 0.29 (95% CI 0.13–0.62); for the TT genotype OR = 0.21 (95% CI 0.08–0.51). We also observed an inverse association for HeLiX T2 and TT genotype (OR 0.39 95% CI 0.17–0.87). Our study shows a significant synergistic gene-environment interaction on an additive scale, contributing to understanding pathways involved in breast cancer etiology and prevention.

The chemistry and electrochemistry basic fields have been active since the last two decades of the past century studying how surface modification of electrodes by coating with conductive films enhances their activity and performance. In the light of the development of alternative sustainable ways of energy storage and carbon dioxide conversion by electrochemical processes, these research studies have jumped in the 21st century to more applied fields such as chemical engineering, energy and environmental science and engineering. The huge amount of literature on experimental works dealing with the development of CO2 electroreduction processes addresses electrocatalyst development. Membranes can help understanding and controlling the mass transport limitations of current electrodes and reactors designs. The present bibliometric review addresses the papers published in the 21st century regarding membrane coated electrodes and electrocatalysts to enhance electrochemical reactor performance and viability with a special focus on the urgent issue of carbon dioxide capture and utilization.

Despite much published literature on the impacts of agriculture on water quality, knowledge gaps persist regarding which farming systems are of most concern for these relationships, which could help water resource planners better target water management efforts. This study addresses these subjects, seeking to understand how this relationship varies across different farming systems. We used data on water quality status in watersheds of an agricultural region in southern Portugal and crossed it with a map of farming systems for the same region provided by a previous study. By overlaying both data layers, we characterized the areal shares of the farming systems in the watersheds and inspected how these shares relate with water quality status through logistic regression. Results support that the impact of agriculture on water quality is mostly related with specific farming systems. We believe this type of information can be of high interest for agricultural planners and policymakers interested in meeting water quality standards, and we conclude by suggesting innovative policy options based on payments to farmers operating selected farming systems, as a cost-effective way to reconcile agricultural and environmental policy objectives.

This study introduces an innovative optimization method to identify the optimal configuration of a sparse symmetric 2D array for applications in security, particularly multistatic imaging. Utilizing Genetic Algorithms (GA) in a sophisticated optimization process, the research focuses on achieving the most favorable antenna distribution while mitigating the common issue of secondary lobes in sparse arrays. The main objective is to determine the ideal configuration from specific design parameters, including hardware specifications such as number of radiating elements, minimum spacing, operating frequency range, and image separation distance. The study employs a cost function based on the the point spread function (PSF), the system response to a point source, with the goal of minimizing the secondary lobe levels and maximizing their separation from the main lobe. Advanced simulation algorithms based on Physical Optics (PO) are used to validate the presented methodology and results.

The fermentation of syngas is an attractive technology that can be integrated with gasification of lignocellulosic biomass. The coupling of these two technologies allows for treating a great variety of raw materials. Lignin usually hinders microbial fermentations; thus, the thermal decomposition of the whole material into small molecules allows for the production of fuels and other types of molecules using syngas as substrate, a process performed at mild conditions. Syngas contains mainly hydrogen, carbon monoxide and carbon dioxide in varying proportions. These gases have a low volumetric energy density, resulting more interesting its conversion into higher energy density molecules. Syngas can be transformed by microorganisms, thus avoiding the use of expensive catalysts, which may be subject to poisoning. However, the fermentation is not free of suffering from inhibitory problems. The presence of trace components in syngas may cause a decrease in fermentation yields or cause a complete cessation of bacteria growth. The presence of tar and hydrogen cyanide are just examples of this fermentation's challenges. Syngas cleaning impairs significant restrictions in technology deployment. The technology may seem promising, but it is still far from large-scale application due to several aspects that still need to find a practical solution.

Purpose: This research compared the dissociated phoria at near and distance fixation in free space using three techniques: the Howell test, alternate Cover test, and Thorington test. Methods: 220 healthy Mexican children (age 5.06-17.11) participated in this study. Phorias were quantified at both distances using each test, from the least to the most disruptive. The stereopsis degree and near point of convergence (break/recovery) were analyzed to understand their role on the visual system's sensorimotor balance. Results: For the exophoria/esophoria at near, the alternate Cover and Thorington tests showed similar values. The exophoria at distance, was similar with the alternate Cover and Howell tests, while esophoria, with the alternate Cover and Thorington tests. The break value and near exophoria relates to each other and affect the stereopsis degree, whereas age is associated with the stereopsis degree and break value. Conclusions: The analysis revealed that alternate Cover and Thorington tests can substitute one another, but not with the Howell test. The test's specific dissociation method may explain these results. Analyzing the binocular visual system provides information about its sensorimotor balance and fragility when faced to the technique’s degree of dissociation.

This work proposes a metaheuristic-based approach for hyperparameter selection in a multilayer perceptron to classify electromyographic signals. The main goal of the study is to improve the performance of the model by optimizing four important hyperparameters: the number of neurons, the learning rate, the epochs, and the training batches. The approach proposed in this work shows that hyperparameter optimization using particle swarm optimization and gray wolf optimizer significantly improves the performance of a multilayer perceptron for classifying EMG motion signals. The final model achieved an average classification rate of 93% for the validation phases. The results obtained are promising and suggest that the proposed approach may be helpful for the optimization of deep learning models in other signal processing applications.

The practice of spatial econometrics revolves around a weighting matrix, which is often supplied by the user on previous knowledge. This is the so called $\mathbf{W}$ issue. Probably, the aprioristic approach is not the best solution although, nowadays, there few alternatives for the user. Our contribution focuses on the problem of selecting a $\mathbf{W}$ matrix from among a finite set of matrices, all of them considerer appropriate for the case. We develop a new and simple method based on the Entropy corresponding to the distribution of probability estimated for the data. Other alternatives, which are common in current applied work, are also reviewed. The paper includes a large Monte Carlo to calibrate the effectiveness of our approach compared to the others. A well-known case study is also included.

This research proposes an algorithm to sign messages using the ElGamal asymmetric cryptosystem, called: Digital signature algorithm based on ElGamal, Diffie-Hellman protocol and the number π (DSAπ). This proposal has a high level of security like the DSA standard, in addition, execution times are reduced in relation to it. The Diffie-Hellman protocol and the number π were used in the construction of the digital signature algorithm in conjunction with the Hash-Sha-512 function. Some experiments are presented to provide evidence that the bits on the right side of the decimal point of π appear randomly, such as: a color image was constructed of a string of consecutive bits chosen at random, of the number π. Subsequently, parameters such as: entropy, correlation, discrete Fourier transform, goodness-of-fit test χ2 were evaluated. It is mentioned that an S-box 8×8 is involved in the signature. The sensitivity of the signature was measured, that is, when small changes are made to the sender’s private key, or small changes to the message. Finally, an image was constructed using the signatures of random texts, and subsequently the randomness of its pixels was obtained, to verify that there is no relationship between the different signatures.

The purpose of this work was analysing the compaction of a cohesive material using different DEM simulators to determine the equivalent contact models and identify how some parameters of the simulations affect the compaction results (maximum force and compacts appearance) and computational costs. For that purpose, three cohesion contact models were tested (‘linear cohesion’ in EDEM; ‘SJKR’ and ‘SJKR2’ in LIGGGHTS). The influence of the particle size distribution (PSD) on the results was also investigated. Further assessments were performed on the effect of selecting different timesteps, using distinct conversion tolerances for exporting the 3D models to STL files and moving the punch with different speeds. Consequently, it was possible to determine that a timestep equal to a 10% Rayleigh timestep, a conversion tolerance of 0.01 mm and a punch speed of 0.2 m/s are adequate for simulating the compaction process using the contact models in this work. In addition, the results determined that the maximum force was influenced by the PSD because of the rearrangement of the particles. The PSD was also related to the computational cost because of the number of simulated particles and their sizes. Finally, an equivalence was found between the linear cohesion and SJKR2 contact models

As a consequence of the global sanitary crisis in early 2020, universities had to tackle with a sudden shift in their teaching-learning strategies so that the preset competences could be fulfilled. This study presents the learning outcomes of the tasks implemented, student experiences and feedback, as well as some reflections from the instructors with a holistic perspective of the courses due to the measures and adaptations adopted. Six courses taught at Civil Engineering degrees of three universities, two from Spain and one from Peru, are analyzed. The teaching and evaluation strategies are described and some reflections are made by comparing the student’s performance with the previous course. Although the shift to online learning had to be made from day to day, with no time for preparation, the experience has proved that online learning can be beneficial in some aspects and have probably come to stay, although some others are difficult to replace with respect to face-to-face learning, especially students’ engagement and motivation.

Parathyroid-hormone-related protein (PTHrP) is encoded by PTHLH gene which, by alternative promoter usage and splicing mechanisms, can give rise to at least three isoforms of 139, 141 and 173 amino acids with distinct C-terminals. PTHrP is subjected to different post-translational processing that generates smaller bioactive forms, comprising amino terminus, midregion (containing a nuclear/nucleolar targeting signal) and carboxy terminus peptides. Both the full-length protein and the discrete peptides are key controllers of viability, proliferation, differentiation and apoptosis in diverse normal and pathological biological systems via the reprogramming of gene expression and remodulation of PKA or PKC-mediated signalization mechanisms. The aim of this review is to pick up selected studies on PTHrP-associated signatures as revealed by molecular profiling assays, focusing on the available data about exemplary differentiating, differentiated or non-tumoral cell and tissue models. In particular, the data presented relate to adipose, bone, dental, cartilaginous and skin tissues, and also intestinal, renal, hepatic, pulmonary and pancreatic epithelia, with a focus on hepatic fibrosis-, pancreatitis- and diabetes-related changes as diseased states. Whether reported, the biochemical and/or physiological aspects associated with the specific molecular modulation of gene expression and signal transduction pathways in the target model systems under examination will be also briefly commented.

Entrepreneurship education has become increasingly relevant. For some years now, the business environment for starting a new company in the Dominican Republic has been considered very propitious. This has generated that many universities have incorporated training in entrepreneurship in their study plans. This study aims to analyse whether the cognitive and affective components, the country's business environment, university training in entrepreneurship and attitudes towards entrepreneurship are antecedents of the entrepreneurial intention of university students. It also seeks to investigate the relationship between entrepreneurial intention and entrepreneurial behaviour of students. Data were collected through a structured questionnaire from a sample of 523 students who had taken courses on entrepreneurship. The data have been analysed through the SPSS and Smart-PLS programs. The results of this research highlight the importance of the affective component and attitudes towards entrepreneurship in the formation of students' entrepreneurial intentions. This reinforces the importance of cultivating positive attitudes through educational interventions. These results contribute to the understanding of the factors that drive entrepreneurial intentions among university students and provide a foundation for future research.

: Responsible consumption is defined in environmental, cultural, economic, ethical, and social terms. The subject has been studied for at least 50 years. Currently, the description of the responsible consumer is relevant, given the climatic complications that humanity is facing. Having an instrument to identify responsible food consumption in the adolescent population will make a significant contribution to both the scientific field and group interventions. The objective of this research was to design and validate a scale to measure responsible food consumption in adolescents (Escala de Consumo Responsable de Alimentos en Adolescentes ECRAA) using a sample of 288 junior high school students. The scale has 23 items distributed in four dimensions—knowledge, attitudes, emotions, and practice—and was designed and validated with a cross-sectional study. Aiken's V coefficient was used to validate the content of the scale, a confirmatory factor analysis was used to validate the construct validity, and reliability was measured by calculating Cronbach's alpha. The ECRAA was found to have adequate properties. All 23 items received a positive evaluation from experts. The confirmatory factor analysis supported the structure with favorable goodness-of-fit indices, and the reliability of the data was found to be acceptable. Thus, the ECRAA is valid and reliable for measuring responsible food consumption in adolescents.

_{he present study was conducted to quantify the heavy metals cadmium, lead, copper, chromium, nickel, and zinc in the bivalve mollusk concha prieta (Anadara tuberculosa) using in- ductively coupled plasma optical emission spectroscopy (ICP-OES). This research aims to identify whether the bioaccumulate content of heavy metals exceeds the maximum limits established by various public health bodies such as the ONU, FAO, Codex Alimentarius, EEC, and NHI. Samples of the species were collected randomly from three locations in Puerto El Morro, Playas Municipal Market, and La Libertad Seafood Market in the Gulf of Guayaquil. Thirty-three soft tissue samples of (Anadara tuberculosa) were evaluated, and the values quantified in mg/kg were in the following order: Zn>Cu>Cd>Ni>Cr>Pb.}

Here, applying the theory of the generalization of the Boltzmann constant in curved space-time, we will model the mechanism by which elementary particles are formed. We will determine the relationship between gravity and each of the elementary particles that form the standard model following analogies to that of stellar bodies. In order to achieve our goal, we will propose new models for photons, quarks and gluons; with this, we will demonstrate why there are stable and unstable elementary particles; why the first family of elementary particles forms hadrons and why the second and third families cannot form hadrons; why the fermions comply with the Pauli exclusion principle and why the bosons do not comply with the Pauli exclusion principle, etc. Finally, we will analyse the generalization of the ADS/CFT correspondence and propose a theory of everything (T.O.E.).

Stellatolides are natural compounds that have shown promising biological activities, including antitumor, antimicrobial, and anti-inflammatory properties, making them potential candidates for drug development. Chemical Reactivity Theory (CRT) is a branch of chemistry that explains and predicts the behavior of chemical reactions based on the electronic structure of molecules. Conceptual Density Functional Theory (CDFT) and Computational Peptidology (CP) are computational approaches used to study the behavior of atoms, molecules, and peptides. In this study, we present the results of our investigation of the chemical reactivity and ADMET properties of Stellatolides A-H using a novel computational approach called Conceptual DFT-based Computational Peptidology (CDFT-CP). Our study uses CDFT and CP to predict the reactivity and stability of molecules and to understand the behavior of peptides at the molecular level. We also predict the ADMET properties of the Stellatolides A-H to provide insight into their effectiveness, potential side effects, and optimal dosage and route of administration. This study sheds light on the potential of Stellatolides A-H as promising candidates for drug development and highlights the potential of CDFT-CP for the study of other natural compounds and peptides.

This paper investigates pseudo-polymorphism in 2-pyridylmethoxy derivatives of p-tert-butylcalix[4]arene (PyC4), p-tert-butyldihomooxa-calix[4]arenes (PyHOC4), and p-tert-butylhexahomotrioxacalix[3]arenes (PyHO3C3), presenting 11 crystal structures with 15 crystallographically independent molecules. The macrocycle of PyC4 is smaller and less flexible with respect to those of PyHOC4 and PyHO3C3 and in solution, the cone conformation of these three molecules exhibit different point symmetries: C4, Cs and C3, respectively. A correlation is observed between the macrocycle's structural rigidity and the number of pseudo-polymorphs formed. The more rigid PyC4 displays a higher number (6) of pseudo-polymorphs compared to PyHOC4 and PyHO3C3, which exhibit a smaller number of crystalline forms (3 and 2, respectively). The X-ray structures obtained show that the conformation of the macrorings is primarily influenced by the presence of an acetonitrile guest molecule within the cavity, with limited impact from crystal packing and intermolecular cocrystallized solvent molecules. Notably, both calix[4]arene derivatives produce host-guest complex with acetonitrile, while the most flexible and less aromatic PyHO3C3 do not give crystals with acetonitrile as guest. Intertwined 1D and 2D solvent channel networks were observed in the PyHOC4-hexane and in the PyHO3C3-H2O-MeOH crystal structures, respectively, while the other pseudopolymorphs of PyHOC4 and PyHO3C3 and all PyC4 crystal forms exhibit a closely packed crystal structures without open channels.

Domestication had a dramatic influence on the cultural evolution of human histories, and on the biological evolution of domesticated species. Domestic dogs occurred earlier in the Americas than other domesticated animals. Older records in the continent come from North America, dated 11,000-8,400 ybp, and in the Andes from 5,600-5,000 ybp. In order to present an overview of human-dog interaction in the Americas, and to identify gaps in knowledge of this subject, we reviewed 178 publications on zooarchaeological record of burials, genetics, morphology, and ethnological information of American dogs, revisiting the history and interactions across the continent. There is no evidence of an in-situ dog initial domestication. Pre-Columbian diversity in North America includes at least three varieties, whereas in South America six varieties were documented. Historical descriptions of phenotypes (e.g. humped dog) may represent an expression associated with mutations. We find that archaeological, historical, and ethnographic records reveal non-traditional uses and hybridizations with other canids. For example, the Coast Salish people exploited woolly dogs for manufacturing blankets. Dog acquisition by some Amazonian cultures began towards the end of the nineteenth century. Overall more than 41 dog breeds originated in the Americas and are currently recognized by kennel clubs. The main gap in knowledge points to the relationships between American breeds, local hybridizations, migratory routes of dogs following Indigenous peoples’ social networks, historical-cultural contexts, and quantification of morphological diversity. North and Central American dogs have been more intensively studied than those from the Amazon regions or Patagonia. We find that the history of domestication in the Americas is far from simple and integrative studies are needed.

Fibre reinforced cementitious materials (FRC) have become an attractive alternative for structural applications. Among such FRC, steel and polyolefin fibre reinforced concrete and glass fibre reinforced concrete are the most used ones. However, in order to exploit the properties of such materials structural designers need constitutive relations that reproduce FRC fracture behaviour accurately. This contribution analyses the suitability of multilinear softening functions combined with a cohesive crack approach for reproducing the fracture behaviour of the FRC previously mentioned. The implementation performed accurately simulates the fracture behaviour while being versatile, robust and efficient from a numerical point of view.

The permeation of dioxin-like pollutants, namely, chlorinated dibenzodioxins and dibenzofurans, through lipid membranes has been simulated using classic molecular dynamics (CMD) combined with the umbrella sampling approach. The most toxic forms of chlorinated dibenzodioxin and dibenzofuran, 2,3,7,8-tetrachloro-p-dibenzodioxin (TCDD) and 2,3,7,8-tetrachlorodibenzofuran (TCDF), and a dioleyl-phosphatidylcholine (DOPC) lipid membrane of 50 Å wide have been chosen for our study. The free energy profile shows the penetration process is largely favoured thermodynamically (DG≈-12 kcal/mol), with a progressively decrease of the free energy until reaching the energy minima at distances of 8Å and 9.5Å from the centre of the membrane for, respectively, TCDD and TCDF. At the centre of the membrane, both molecules display subtle local maxima with free energy differences of 0.5 and 1 kcal/mol with respect to the energy minima for TCDD and TCDF, respectively. Furthermore, the intermolecular interactions between the molecules and the lipid membrane have been characterized at the minima and the local maxima using hybrid quantum mechanics/molecular mechanics energy decomposition analysis (QM/MM-EDA). Total interaction energies of -17.5 and -16.5 kcal/mol have been found at the energy minima for TCDD and TCDF, respectively. In both cases, the dispersion forces govern the molecule-membrane interactions, no significant changes have been found at the local maxima, in agreement with the classical free energy profile. The small differences found in the results obtained for TCDD and TCDF point out the adsorption and diffusion processes through the cell membrane are not related to the different toxicity shown by these pollutants.

Abstract: Floods can be defined as one of the most frequent and destructive disasters, that cause significant damage to people, while droughts present significant challenges in first place to most vulnerable communities. In consequence, state public policies are essential to manage the risk in the face of both phenomena and contribute to the construction of resilient communities. As a request of the National Water Commission of Mexico (CONAGUA) for the Regional Water Plan (PHR), we designed and applied a methodology based on virtual consultation fora in conjunction with digital survey tools to understand the population's perception of these phenomena. The workshops were organized in the five municipalities of Baja California Sur. Then, we performed an interdisciplinary analysis that combines hydrological considerations with the most critical social, economic, environmental, and law components, applying the PESTEL analysis. The results indicate that there is a clear and widespread awareness that floods and droughts increase the risk to the livelihoods of the population; however, there are deficiencies in different areas, which complicates risk management. Timely information and the inclusion of communities in mitigation and adaptation proposals would allow for achieving more successful cases with the efforts to minimize vulnerabilities and increase the resilience of the population in the face of a changing climate. This must be a collaborative work of the entire society, governmental, social, and private stakeholders.