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Introducción: La muerte es parte de los tabúes sociales existentes y puede fomentar actitudes que distan de su abordaje explícito en relación con los cuidados. Objetivo: Analizar las actitudes ante la muerte en profesionales de enfermería de acuerdo con las publicaciones científicas en el contexto latinoamericano en el período 2018 a 2022. Metodología: Se realizó una revisión de literatura integrativa de las publicaciones científicas latinoamericanas respecto de las actitudes ante la muerte en el contexto de la enfermería, empleando los siguientes términos estandarizados: actitud, muerte, enfermería y cuidados de enfermería. Se incluyeron 8 artículos publicados en el período definido, en idioma español y portugués, en los que se abordó explícitamente la temática de la revisión. La información de los artículos fue analizada tomando como referencia los conceptos de la teoría de las transiciones. Resultados: Se encontraron diseños tanto cuantitativos (50 %) como cualitativos (50 %), elaborados en su totalidad en el ámbito hospitalario. Los principales resultados dan cuenta del predominio de la indiferencia ante la muerte en el contexto de los cuidados. En relación con la teoría de las transiciones, la mayoría de los artículos abordan las condiciones en que estas se dan, además de los conceptos de terapéutica de enfermería y patrones de respuesta. Conclusiones: La producción de investigaciones sobre la actitud ante la muerte en profesionales de enfermería es escasa en Latinoamérica. Las experiencias de pérdidas cercanas, la capacitación y el soporte institucional son la base para contribuir a una mejor actitud hacia la muerte

Introdução: A morte faz parte dos tabus sociais existentes e pode fomentar atitudes que se distanciam de sua abordagem explícita em relação aos cuidados. Objetivo: analisar as atitudes diante da morte em profissionais de enfermagem de acordo com as publicações científicas no contexto latino-americano no período de 2018 a 2022. Metodologia: Foi realizada uma revisão de literatura integrativa de publicações científicas latino-americanas sobre atitudes diante da morte no contexto da enfermagem, utilizando os seguintes termos padronizados: atitude, morte, enfermagem e cuidados de enfermagem. Foram incluídos 8 artigos publicados no período definido, em espanhol e português, nos quais o tema da revisão foi abordado explicitamente. As informações dos artigos foram analisadas tendo como referência os conceitos da teoria das transições. Resultados: Foram identificados desenhos quantitativos (50 %) e qualitativos (50 %), elaborados totalmente no âmbito hospitalar. Os principais resultados mostram a predominância da indiferença diante da morte no contexto do cuidado. Em relação à teoria das transições, a maioria dos artigos aborda as condições em que as transições ocorrem, além dos conceitos de terapêutica de enfermagem e padrões de resposta. Conclusões: A produção de pesquisas sobre atitudes diante da morte em profissionais de enfermagem é escassa na América Latina. As experiências de perdas próximas, a capacitação e o apoio institucional são a base para contribuir para uma melhor atitude em relação à morte

Introduction: Death is part of the existing social taboos and can foster attitudes that are far from its explicit approach in relation to care. Objective: To analyze attitudes towards death in nursing professionals according to scientific publications in the Latin American context in the period 2018 to 2022. Methodology: An integrative literature review was conducted of Latin American scientific publications regarding attitudes towards death in the context of Nursing, using the following standardized terms: attitude, death, nursing and nursing care. Eight articles published in the defined period were included, in Spanish and Portuguese, in which the subject of the review was explicitly addressed. The information in the articles was analyzed using the concepts of the theory of transitions as a reference. Results: Both quantitative (50 %) and qualitative (50 %) designs were found, all of them elaborated in the hospital setting. The main results show the predominance of indifference to death in the context of care. In relation to the theory of transitions, most of the articles address the conditions under which these occur, in addition to the concepts of nursing therapeutics and response patterns. Conclusions: The production of research on the attitude towards death in nursing professionals is scarce in Latin America. Experiences of close losses, training and institutional support are the basis for contributing to a better attitude towards death

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Protein compartmentalization in the frame of a liquid-liquid phase separation is a key mechanism to optimize spatiotemporal control of biological systems. Such a compartmentalization process reduces the intrinsic noise in protein concentration due to stochasticity in gene expression. Employing Flory-Huggins solution theory, Avramov/Casalini's model, and the Grüneisen parameter, we unprecedentedly propose a cellular Griffiths-like phase (CGLP), which can impact its functionality and self-organization. The here-proposed CGLP is key ranging from the understanding of primary organisms' evolution to the treatment of diseases. Our findings pave the way for an alternative Biophysics approach to investigate coacervation processes.

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Mobility is a crucial element in comprehending the possible expansion of the transmission chain in an epidemic. In the initial phases, strategies for containing cases can be directly linked to population mobility restrictions, especially when only non-pharmaceutical measures are available. During the pandemic of COVID-19 in Brazil, mobility limitation measures were strongly opposed by a large portion of the population. Hypothetically, if the population had supported such measures, the sharp rise in the number of cases could have been suppressed. In this context, computational modeling offers systematic methods for analyzing scenarios about the development of the epidemiological situation taking into account specific conditions. In this study, we examine the impacts of interstate mobility in Brazil. To do so, we develop a metapopulational model that considers both intra and intercompartmental dynamics, utilizing graph theory. We use a parameter estimation technique that allows us to infer the effective reproduction number in each state and estimate the time-varying transmission rate. This makes it possible to investigate scenarios related to mobility and quantify the effect of people moving between states and how certain measures to limit movement might reduce the impact of the pandemic. Our results demonstrate a clear association between the number of cases and mobility, which is heightened when states are closer to each other. This serves as a proof of concept and shows how reducing mobility in more heavily trafficked areas can be more effective.

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The objective of this issue is a theoretical approach to the disadvantages involved in taking the certification exams of medical specializations through serial case reports and analyzing them with the Classical Test Theory (TCT). The certification exams of medical specializations correspond to criterial summative exams with high consequences. Therefore, it is imperative to maintain the highest quality standards in all the processes involved in preparing the exam. At present, it has been detected that some councils of medical specialties conduct the certification exams with tests that contain serial case reports and the psychometric analysis that they conduct is supported by the TCT; however, the structure of this type of test violates the fundamental assumptions of the TCT. The violation of the fundamental assumptions of the TCT in the tests constructed through serial case reports can lead to biases or misinterpretations of the results. Due to the above, it is advisable to use other psychometric models for the analysis of this type of test, or to avoid the use of serial case reports in the certification exams of medical specialties.

Se presenta un planteamiento teórico de las desventajas de realizar los exámenes de certificación de las especializaciones médicas mediante casos clínicos seriados y analizarlos con la Teoría Clásica del Test (TCT). Los exámenes de certificación de las especializaciones médicas corresponden a exámenes sumativos criteriales de altas consecuencias, por lo tanto, es imperativo mantener los máximos estándares de calidad en todos los procesos implicados en su elaboración. Actualmente, se ha detectado que algunos consejos de especialidades médicas realizan los exámenes de certificación con pruebas que incluyen casos clínicos seriados y que el análisis psicométrico está sustentado en la TCT; sin embargo, la estructura de este tipo de pruebas infringe los supuestos fundamentales de dicha teoría. La violación de los supuestos fundamentales de la TCT en las pruebas construidas mediante casos clínicos seriados puede conducir a sesgos o interpretación errónea de los resultados. Por lo anterior, es recomendable utilizar otros modelos psicométricos para el análisis de este tipo de pruebas, o evitar el uso de los casos clínicos seriados en los exámenes de certificación de las especialidades médicas.

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This study investigates nineteenth century natural history practices through the lens of the Actor-Network Theory, which posits that scientific practice is shaped by an intricate network of interactions between human and non-human actors. At the core of this research is the analysis of correspondence between Charles Darwin and his collaborators during the Cirripedia Project, which unveils a complex landscape of negotiations with illustrators, funders, specimen owners, and translators, among other stakeholders and interested parties. The study goes beyond the final outcomes of scientific research, delving into behind-the-scenes interactions, and hidden constructions, shedding light on the complex dynamics and actors that conventional scientific narratives often overlook. In general, this approach provides a detailed and insightful view of the underlying processes of nineteenth-century scientific practice, underscoring the importance of epistolary correspondence as a central element in producing scientific knowledge at the time, and in particular it reveals to us how much Darwin was himself involved in the production of his famous work on barnacles. By emphasizing the intricacies of research, this study enriches our understanding of Darwin's work as well as natural history practices in the 19th century, highlighting the complexity and diversity of actors and agents involved in shaping scientific knowledge.

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The 1-acyl thiourea family [R1C(O)NHC(S)NR2R3] exhibits the flexibility to incorporate a wide variety of substituents into their structure. The structural attributes of these compounds are intricately tied to the type and extent of substitution. In the case of 3-mono-substituted thioureas (R2=H), the conformational behavior is predominantly shaped by the presence of an intramolecular N-H ⋅ ⋅ ⋅ O=C hydrogen bond. This study delves into the structural consequences stemming from the inclusion of substituents possessing hydrogen-donor capabilities within four novel 1-acyl-3-mono-substituted thiourea derivatives. A comprehensive suite of analytical techniques, encompassing FTIR, Raman spectroscopy, multinuclear (1H and 13C) NMR spectroscopy, single-crystal X-ray diffraction, and supported by computational methods, notably NBO (Natural Bond Orbital) population analysis, Hirshfeld analysis, and QTAIM (Quantum Theory of Atoms in Molecules), was harnessed to scrutinize and characterize these compounds. In the crystalline state, these compounds exhibit an intricate interplay of intermolecular interactions, prominently featuring an expansive network of hydrogen bonds between the hydroxy (-OH) groups and the carbonyl and thiocarbonyl bonds within the 1-acyl thiourea fragment. Notably, the topological analysis underscores significant distinctions in the properties of the acyl thiourea fragment and the intramolecular >C=O ⋅ ⋅ ⋅ H-N bond when transitioning from the isolated molecule to the crystalline environment.

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En la práctica, es muy frecuente asociar las gestaciones gemelares monocoriales (MC) con embarazos complejos o complicados, utilizando ambos términos en forma intercambiable. Sin embargo, no lo son; el dinamismo es protagonista en los sistemas complejos, pero no en los complicados. Para entender a la embarazada con una gestación MC como un sistema complejo, primero se desarrollarán las características principales de los embarazos MC; su placenta es una de las principales responsables de los problemas. Luego se analizará el embarazo MC desde la complejidad, identificando las características del sistema y sus complicaciones como propiedades emergentes.

In practice, it is very common to associate monochorionic (MC) twin pregnancies with complex or complicated pregnancies, using both terms interchangeably. However, these are not synonyms; dynamism is the protagonist in complex systems, but not in complicated ones. In order to understand a MC pregnancy as a complex system, it is necessary to first look into its main characteristics. The placenta is one of the main sources of problems. Then, the MC pregnancy has to be analyzed from the perspective of complexity, identifying the system characteristics and its complications as emergent properties.

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Analyzing transcription data requires intensive statistical analysis to obtain useful biological information and knowledge. A significant portion of this data is affected by random noise or even noise intrinsic to the modeling of the experiment. Without robust treatment, the data might not be explored thoroughly, and incorrect conclusions could be drawn. Examining the correlation between gene expression profiles is one way bioinformaticians extract information from transcriptomic experiments. However, the correlation measurements traditionally used have worrisome shortcomings that need to be addressed. This paper compares five already published and experimented-with correlation measurements to the newly developed coincidence index, a similarity measurement that combines Jaccard and interiority indexes and generalizes them to be applied to vectors containing real values. We used microarray and RNA-Seq data from the archaeonHalobacterium salinarumand the bacteriumEscherichia coli, respectively, to evaluate the capacity of each correlation/similarity measurement. The utilized method explores the co-expressed metabolic pathways by measuring the correlations between the expression levels of enzymes that share metabolites, represented in the form of a weighted graph. It then searches for local maxima in this graph using a simulated annealing algorithm. We demonstrate that the coincidence index extracts larger, more comprehensive, and more statistically significant pathways for microarray experiments. In RNA-Seq experiments, the results are more limited, but the coincidence index managed the largest percentage of significant components in the graph.

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OBJECTIVE: Apply Graph Theory to analyze and map knowledge about nursing diagnoses and interventions, based on records of consultations carried out by nurses, in women's health, in primary health care. METHODS: Secondary data from a cross-sectional study were used. Records of nursing consultations carried out during the month of October 2016, in 21 health units, in a Brazilian municipality were analyzed. Network analysis was carried out using Graphs from 61 nursing consultations. RESULTS: 175 diagnoses were recorded, an average of three per consultation; and 380 interventions, an average of six per consultation. In the analysis, four diagnostic and four intervention network groupings were identified. CONCLUSIONS: The mapping allowed reflection on phenomena of interest to Nursing and fostering critical thinking in decision making. The findings are useful for teaching and training nurses, as well as strengthening the use of standardized language systems.

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The cubic α-CsPbI3 phase stands out as one of the most promising perovskite compounds for solar cell applications due to its suitable electronic band gap of 1.7 eV. However, it exhibits structural instability under operational conditions, often transforming into the hexagonal non-perovskite δ-CsPbI3 phase, which is unsuitable for solar cell applications because of the large band gap (e.g., ∼2.9 eV). Thus, there is growing interest in identifying possible mechanisms for increasing the stability of the cubic α-CsPbI3 phase. Here, we report a theoretical investigation, based on density functional theory calculations, of the surface passivation of the α-, γ-, and δ-CsPbI3(100) surfaces using the C6H4(NH3)2 [p-phenylenediamine (PPD)] and Cs species as passivation agents. Our calculations and analyses corroborate recent experimental findings, showing that PPD passivation effectively stabilizes the cubic α-CsPbI3 perovskite against the cubic-to-hexagonal phase transition. The PPD molecule exhibits covalent-dominating bonds with the substrate, which makes it more resistant to distortion than the ionic bonds dominant in perovskite bulks. By contrasting these results with the natural Cs passivation, we highlight the superior stability of the PPD passivation, as evidenced by the negative surface formation energies, unlike the positive values observed for the Cs passivation. This disparity is due to the covalent characteristics of the molecule/surface interaction of PPD, as opposed to the purely ionic interaction seen with the Cs passivation. Notably, the PPD passivation maintains the optoelectronic properties of the perovskites because the electronic states derived from the PPD molecules are localized far from the band gap region, which is crucial for optoelectronic applications.

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Abstract: This article aims to reflect on scientific validation strategies in qualitative research in the light of translational theory in nursing. It is a reflection based on translational theory applied to nursing in strategies for validating qualitative studies. From this angle, validation is recognized as an adaptable construct, capable of eliciting/favoring an understanding of the subjectivity of the target audience in its relationship with the object of interest/study/research. The potential for advancing the science-profession lies in the interdisciplinary confluence of validation mechanisms, qualitative studies, the translational perspective, and nursing research. This confluence has the capacity to extend beyond theoretical and epistemological aspects. However, it is crucial to emphasize its profound, expressive, and relevant impact on the construction of scientific evidence. This impact aims to enhance the rigor and reliability of qualitative research, thereby bolstering its credibility and applicability in clinical practice.

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BACKGROUND: Preschool represents the budding and initial stage of bullying behavior, where perpetration of physical bullying predominates as the primary form of bullying. An in-depth understanding of the factors linked to preschool physical bullying behavior is crucial for enabling early prevention and intervention strategies. OBJECTIVE: The purpose of this study was to examine the relationship between Theory of Mind and physical bullying behavior in 4-6 years old children in kindergarten and the mediating role of peer rejection and gender in this relationship. METHODS: Data on perpetration of physical bullying and peer rejection were obtained from 310 preschool children (age range = 52-79 months, M = 66.85, SD = 7.04) by the peer nomination method, and their Theory of Mind was measured by the Theory of Mind Development Scale. RESULTS: The results showed that Theory of Mind negatively predicted perpetration of physical bullying in preschool children and that Theory of Mind was related to perpetration of physical bullying in preschool children only through peer rejection. Boys were also found to have a stronger association between peer rejection and perpetration of physical bullying in preschool children than girls. CONCLUSION: Peer rejection may play a mediating role between Theory of Mind and perpetration of physical bullying in preschool children. In addition, the relationship between peer rejection and perpetration of physical bullying appears to be stronger for boys than for girls. This contributes to our understanding of the relationship between Theory of Mind and perpetration of physical bullying in preschool children and has implications for how bullying prevention and intervention can be tailored to the gender of young children.

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Scale-free brain activity, linked with learning, the integration of different time scales, and the formation of mental models, is correlated with a metastable cognitive basis. The spectral slope, a key aspect of scale-free dynamics, was proposed as a potential indicator to distinguish between different sleep stages. Studies suggest that brain networks maintain a consistent scale-free structure across wakefulness, anesthesia, and recovery. Although differences in anesthetic sensitivity between the sexes are recognized, these variations are not evident in clinical electroencephalographic recordings of the cortex. Recently, changes in the slope of the power law exponent of neural activity were found to correlate with changes in Rényi entropy, an extended concept of Shannon's information entropy. These findings establish quantifiers as a promising tool for the study of scale-free dynamics in the brain. Our study presents a novel visual representation called the Rényi entropy-complexity causality space, which encapsulates complexity, permutation entropy, and the Rényi parameter q. The main goal of this study is to define this space for classical dynamical systems within theoretical bounds. In addition, the study aims to investigate how well different time series mimicking scale-free activity can be discriminated. Finally, this tool is used to detect dynamic features in intracranial electroencephalography (iEEG) signals. To achieve these goals, the study implementse the Bandt and Pompe method for ordinal patterns. In this process, each signal is associated with a probability distribution, and the causal measures of Rényi entropy and complexity are computed based on the parameter q. This method is a valuable tool for analyzing simulated time series. It effectively distinguishes elements of correlated noise and provides a straightforward means of examining differences in behaviors, characteristics, and classifications. For the iEEG experimental data, the REM state showed a greater number of significant sex-based differences, while the supramarginal gyrus region showed the most variation across different modes and analyzes. Exploring scale-free brain activity with this framework could provide valuable insights into cognition and neurological disorders. The results may have implications for understanding differences in brain function between the sexes and their possible relevance to neurological disorders.

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OBJECTIVE: To explore racially minoritized families' perceptions on how, and if, physicians should address children's racial identity and concepts of racism within clinical settings. STUDY DESIGN: Parents of racially minoritized children, ages 5 through 18, were interviewed to explore experiences with racial identity formation, discrimination, and the extent to which they wanted pediatricians to address these topics. Children were included at the discretion of their parents. Interviews were transcribed, coded, and analyzed through a critical race theory lens based in constructivist grounded theory. RESULTS: Parents encouraged their children to embrace their racial identities but also wanted to shield them from negative experiences of racism to preserve identity safety. Parents felt pediatricians should address racial issues in a manner specific to their child's situation. Thoughtful inclusion of race-related questions, whether in discussion or on questionnaires, is essential to prevent tension in a therapeutic relationship. There was no consensus on the use of preclinical screening. Instead, families highlighted the importance of embracing humility, trust, and respect. CONCLUSIONS: Participant families have preferences for approaches to address the effects of racism on their children's health. Pediatricians should understand the importance of identity safety and approach their discussions with cultural humility, which includes self-reflection, empathy, active listening, and flexible negotiation. Above all, pediatricians need to create a safe environment for appropriate discussion of these issues.

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The first step in comprehending the properties of Au10 clusters is understanding the lowest energy structure at low and high temperatures. Functional materials operate at finite temperatures; however, energy computations employing density functional theory (DFT) methodology are typically carried out at zero temperature, leaving many properties unexplored. This study explored the potential and free energy surface of the neutral Au10 nanocluster at a finite temperature, employing a genetic algorithm coupled with DFT and nanothermodynamics. Furthermore, we computed the thermal population and infrared Boltzmann spectrum at a finite temperature and compared it with the validated experimental data. Moreover, we performed the chemical bonding analysis using the quantum theory of atoms in molecules (QTAIM) approach and the adaptive natural density partitioning method (AdNDP) to shed light on the bonding of Au atoms in the low-energy structures. In the calculations, we take into consideration the relativistic effects through the zero-order regular approximation (ZORA), the dispersion through Grimme's dispersion with Becke-Johnson damping (D3BJ), and we employed nanothermodynamics to consider temperature contributions. Small Au clusters prefer the planar shape, and the transition from 2D to 3D could take place at atomic clusters consisting of ten atoms, which could be affected by temperature, relativistic effects, and dispersion. We analyzed the energetic ordering of structures calculated using DFT with ZORA and single-point energy calculation employing the DLPNO-CCSD(T) methodology. Our findings indicate that the planar lowest energy structure computed with DFT is not the lowest energy structure computed at the DLPN0-CCSD(T) level of theory. The computed thermal population indicates that the 2D elongated hexagon configuration strongly dominates at a temperature range of 50-800 K. Based on the thermal population, at a temperature of 100 K, the computed IR Boltzmann spectrum agrees with the experimental IR spectrum. The chemical bonding analysis on the lowest energy structure indicates that the cluster bond is due only to the electrons of the 6 s orbital, and the Au d orbitals do not participate in the bonding of this system.

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Nudges can be an effective strategy to promote vaccination. However, it is necessary to better identify the characteristics of nudges that produce the strongest effects and how they interact with individuals' attitudes. Here we sequentially test the effectiveness of three nudge characteristics (framing, nudge type, and presentation modality) and the role of participants' attitudes toward Covid-19 vaccination, social solidarity and authoritarianism in vaccination decisions. In studies 1-4, participants were presented with a nudge manipulating a target characteristic (e.g. positive/negative framing, nudge type) and measuring willingness to vaccinate and related variables compared a control nudge. Study 5 used a single combined nudge reflecting the combination of successful nudges in previous studies. Results over all studies show that nudging has unreliable effects while vaccine attitudes are more reliably linked to all measures of vaccines willingness. These results suggest that attitudes play a more reliable role on effective adoption of vaccinations.

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OBJECTIVE: To determine the association between neighborhood disadvantage (ND) and functional brain development of in utero fetuses. STUDY DESIGN: We conducted an observational study using Social Vulnerability Index (SVI) scores to assess the impact of ND on a prospectively recruited sample of healthy pregnant women from Washington, DC. Using 79 functional magnetic resonance imaging scans from 68 healthy pregnancies at a mean gestational age of 33.12 weeks, we characterized the overall functional brain network structure using a graph metric approach. We used linear mixed effects models to assess the relationship between SVI and gestational age on 5 graph metrics, adjusting for multiple scans. RESULTS: Exposure to greater ND was associated with less well integrated functional brain networks, as observed by longer characteristic path lengths and diminished global efficiency (GE), as well as diminished small world propensity (SWP). Across gestational ages, however, the association between SVI and network integration diminished to a negligible relationship in the third trimester. Conversely, SWP was significant across pregnancy, but the relationship changed such that there was a negative association with SWP earlier in the second trimester that inverted around the transition to the third trimester to a positive association. CONCLUSIONS: These data directly connect ND and altered functional brain maturation in fetuses. Our results suggest that, even before birth, proximity to environmental stressors in the wider neighborhood environment are associated with altered brain development.

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CONTEXT: In the realm of quantum chemistry, the accurate prediction of electronic structure and properties of nanostructures remains a formidable challenge. Density functional theory (DFT) and density matrix renormalization group (DMRG) have emerged as two powerful computational methods for addressing electronic correlation effects in diverse molecular systems. We compare ground-state energies ( e 0 ), density profiles ( n ), and average entanglement entropies ( S ¯ ) in metals, insulators and at the transition from metal to insulator, in homogeneous, superlattices, and harmonically confined chains described by the fermionic one-dimensional Hubbard model. While for the homogeneous systems, there is a clear hierarchy between the deviations, D % ( S ¯ ) < D % ( e 0 ) < D ¯ % ( n ) , and all the deviations decrease with the chain size; for superlattices and harmonic confinement, the relation among the deviations is less trivial and strongly dependent on the superlattice structure and the confinement strength considered. For the superlattices, in general, increasing the number of impurities in the unit cell represents lower precision in the DFT calculations. For the confined chains, DFT performs better for metallic phases, while the highest deviations appear for the Mott and band-insulator phases. This work provides a comprehensive comparative analysis of these methodologies, shedding light on their respective strengths, limitations, and applications. METHODS: The DFT calculations were performed using the standard Kohn-Sham scheme within the BALDA approach. It integrated the numerical Bethe-Ansatz (BA) solution of the Hubbard model as the homogeneous density functional within a local-density approximation (LDA) for the exchange-correlation energy. The DMRG algorithms were implemented using the ITensor library, which is based on the matrix product states (MPS) ansatz. The calculations were performed until the energy reaches convergence of at least 10 - 8 .

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CONTEXT: The electron localization is a concept that allows scientists to better understand the physical and chemical properties of electronic systems. It is associated with the propensity of electron pairs with opposite spins to accumulate as well as with their response to external perturbations. This paper contains a detailed description of the design and implementation of the program KLD, which was primarily developed in our research group to elucidate electron localization in molecular systems by evaluating the information content of electron-pair density functions. KLD employs two information-based functions as a real space measure of the Fermi and Coulomb holes for same-spin electrons and shows a better resolution as compared to other methods (i.e., ELF). Information about the acceleration of the code is also included in the present work, being noticeable the reduction of wall-time calculation and the error calculation between versions. METHODS: KLD was designed to be easy to use, extend, and maintain; thus, many principles of modern software development, extensive testing, and package management were adopted. The latest version of the KLD program was created utilizing the Compute Unified Device Architecture (CUDA) version, which allows it to use the computational capacity of NVIDIA Graphics Processing Units (GPUs) for processing purposes. The electron-pair conditional density was calculated from the canonical molecular orbitals obtained at the HF/6-31G(2df,p) level, or alternatively the natural orbitals in the case of explicit correlated wavefunctions computed at the MP2/6-31G(2df,p)//HF/6-31G(2df,p) level.