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PURPOSE: The complexity of cancer care requires planning and analysis to achieve the highest level of quality. We aim to measure the quality of care provided to patients with non-small cell lung cancer (NSCLC) using the data contained in the hospital's information systems, in order to establish a system of continuous quality improvement. METHODS/PATIENTS: Retrospective observational cohort study conducted in a university hospital in Spain, consecutively including all patients with NSCLC treated between 2016 and 2020. A total of 34 quality indicators were selected based on a literature review and clinical practice guideline recommendations, covering care processes, timeliness, and outcomes. Applying data science methods, an analysis algorithm, based on clinical guideline recommendations, was set up to integrate activity and administrative data extracted from the Electronic Patient Record along with clinical data from a lung cancer registry. RESULTS: Through data generated in routine practice, it has been feasible to reconstruct the therapeutic trajectory and automatically calculate quality indicators using an algorithm based on clinical practice guidelines. Process indicators revealed high adherence to guideline recommendations, and outcome indicators showed favorable survival rates compared to previous data. CONCLUSIONS: Our study proposes a methodology to take advantage of the data contained in hospital information sources, allowing feedback and repeated measurement over time, developing a tool to understand quality metrics in accordance with evidence-based recommendations, ultimately seeking a system of continuous improvement of the quality of health care.

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cis-2-tert-Butyl-5-(tert-butylsulfonyl)-1,3-dioxane (cis-1) exhibits a high degree of eclipsing in the H-C5-S-C segment in the solid state, the origin of which remains unexplained. The eclipsed conformation that corresponds to an energetic minimum in the solid state practically corresponds to a rotational transition state in solution, which allows an approach to understand transitions states. The difference in the enthalpy of sublimation ΔsubH between cis-1 and the more stable trans-1 is 8.40 kcal mol-1, lets to consider that the intermolecular interactions in the crystalline structure must be responsible for the conformational effect observed in the solid state. The study of the experimental electron density of cis-1 in solid state allowed to establish that CH⋯OS intermolecular interaction is the main contribution to the observed eclipsing. The charge density analysis was also performed using the quantum theory of atoms in molecules to evaluate the nature and relevance of the intermolecular interactions in the crystal structure.

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The enzyme NADPH-cytochrome P450 reductase (CPR) plays a central role in cytochromes P450 activity. Gene expression analysis of cytochromes P450 and CPR in deltamethrin-resistant and susceptible populations revealed that P450s genes are involved in the development of insecticide resistance in Triatoma infestans. To clarify the role of cytochromes P450 in insecticide resistance, it was proposed to investigate the effect of CPR gene silencing by RNA interference (RNAi) in a pyrethroid resistant population of T. infestans. Silencing of the CPR gene showed a significant increase in susceptibility to deltamethrin in the population analysed. This result support the hypothesis that the metabolic process of detoxification mediated by cytochromes P450 contributes to the decreased deltamethrin susceptibility observed in the resistant strain of T. infestans.

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Population exposure to heat waves (HWs) is increasing worldwide due to climate change, significantly affecting society, including public health. Despite its significant vulnerabilities and limited adaptation resources to rising temperatures, South America, particularly Brazil, lacks research on the health impacts of temperature extremes, especially on the role played by socioeconomic factors in the risk of heat-related illness. Here, we present a comprehensive analysis of the effects of HWs on mortality rates in the 14 most populous urban areas, comprising approximately 35% of the country's population. Excess mortality during HWs was estimated through the observed-to-expected ratio (O/E) for total deaths during the events identified. Moreover, the interplay of intersectionality and vulnerability to heat considering demographics and socioeconomic heterogeneities, using gender, age, race, and educational level as proxies, as well as the leading causes of heat-related excess death, were assessed. A significant increase in the frequency was observed from the 1970s (0-3 HWs year-1) to the 2010s (3-11 HWs year-1), with higher tendencies in the northern, northeastern, and central-western regions. Over the 2000-2018 period, 48,075 (40,448-55,279) excessive deaths were attributed to the growing number of HWs (>20 times the number of landslides-related deaths for the same period). Nevertheless, our event-based surveillance analysis did not detect the HW-mortality nexus, reinforcing that extreme heat events are a neglected disaster in Brazil. Among the leading causes of death, diseases of the circulatory and respiratory systems and neoplasms were the most frequent. Critical regional differences were observed, which can be linked to the sharp North-South inequalities in terms of socioeconomic and health indicators, such as life expectancy. Higher heat-related excess mortality was observed for low-educational level people, blacks and browns, older adults, and females. Such findings highlight that the strengthening of primary health care combined with reducing socioeconomic, racial, and gender inequalities represents a crucial step to reducing heat-related deaths.

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Duclauxin (1) from Talaromyces sp. IQ-313 was reported as a putative allosteric modulator of human recombinant protein tyrosine phosphatase 1B (400 amino acids) (hPTP1B1-400), a validated target for the treatment of type II diabetes. Based on these findings, a one-strain-many-compound (OSMAC) experiment on the IQ-313 strain generated derivatives 5a, 6, and 7. Moreover, a one-/two-step semisynthetic approach guided by docking toward hPTP1B1-400 produced 38 analogs, a series (A) incorporating a lactam functionalization at C-1 (8a-15a, 36a, and 37a) and a series (B) containing a lactam at C-1 and an extra unsaturation between C-7 and C-8 (5b, 11b-37b). In vitro evaluation and structure-activity relationship (SAR) analysis revealed that analogs from the B series are up to 10-fold more active than 1 and derivatives from the A series. Furthermore, duclauxin (1) and 36b were assessed for their potential acute toxicity, estimating their LD50 to be higher than 300 mg/kg. Moreover, 36b significantly reduced glycemia in an insulin tolerance test in mice, suggesting that its mechanism of action is through the PTP1B inhibition.

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Early life is a challenging phase because of the high rates of morphophysiological development and growth. Changes in ambient temperature, which directly affect energy metabolism and digestive functions in ectotherms, may be of great impact during this phase. We addressed this issue in red-footed tortoise (Chelonoidis carbonaria) hatchlings kept in captivity. To this end, we investigated the effect of temperature (28 °C and 18 °C) on mass-specific gross energy intake (GEIm), daily body mass gain (MG), daily intake of gross energy (GEI), digestible energy (DEI), resting metabolic rate (RMR), and specific dynamic action (SDA) components during different seasons in the first 13 months after hatching. Greater GEIm and MG were observed in spring (381.7 ± 84.9 J.g-0.86.day-1 and 0.9 ± 0.4 g.day-1) and summer (356.9 ± 58.9 J.g-0.86.day-1 and 1.0 ± 0.4 g.day-1). The highest and lowest RMRs at 28 °C were observed in spring (36.4 ± 5.1 kJ.kg-1.day-1) and winter (22.4 ± 6.2 kJ.kg-1.day-1), respectively. Regardless season, hatchlings showed greater GEI and DEI, O2 consumption, CO2 production, RMR, maximum metabolic rate after feeding (FMRMAX), and heat increment (FMRMAX- RMR) at 28 °C compared to 18 °C. In addition, the significant body mass influence showed allometric exponents of 0.62 at 28 °C and 0.92 at 18 °C for RMR. Our results indicate an important effect of environmental temperature on energy requirements and utilization in C. carbonaria hatchlings, which is seasonally influenced even in this early phase of life.

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[RESUMEN]. Objetivos. Explorar la alineación del contenido de los artículos publicados por la Revista Panamericana de Salud Pública durante sus 100 años de existencia, con los temas sanitarios claves de la Organización Panamericana de la Salud (OPS). Métodos. Se llevó a cabo un análisis bibliométrico con visualización de sus resultados. Se recuperó la información sobre los artículos publicados en la Revista a partir del Repositorio Institucional para Intercambio de Información (IRIS) de la OPS para los primeros 75 años y de Scopus para los últimos 25 años hasta febrero del 2022; para establecer los temas claves de la OPS se usaron referencias a documentos de los Cuerpos Directivos y declaraciones de los directores. Resultados. Se obtuvieron inicialmente 12 573 publicaciones y se consideraron para el análisis 9 289 para el período 1922 a 1996 y 3 208 para el período 1997 a 2022. Para el análisis bibliométrico de la información de Scopus se tuvieron en cuenta indicadores como los autores y su procedencia, el idioma de las publicaciones, y el número y la procedencia de las citas. Para las visualizaciones, se dividieron las publicaciones en cinco períodos a fin de que estos coincidieran con los períodos establecidos para el análisis de los temas prioritarios de la OPS. Se realizaron mapas de coocurrencia de palabras claves para observar la evolución de los temas de las publicaciones y relacionarlos con los enfoques de la salud pública en cada período. Conclusión. Las temáticas publicadas en la Revista Panamericana de Salud Pública y sus boletines precursores reflejan la historia de la salud pública regional y su evolución a lo largo del tiempo, así como los temas sanitarios claves de la Organización Panamericana de la Salud.

[ABSTRACT]. Objectives. Explore how the content of the articles published by the Pan American Journal of Public Health during its 100 years of existence has aligned with the key health issues of the Pan American Health Organization (PAHO). Methods. A bibliometric analysis was carried out, with visualization of its results. Information on articles published in the Journal was retrieved from PAHO's Institutional Repository for Information Sharing (IRIS) for the first 75 years and Scopus for the last 25 years, until February 2022; References to Governing Bodies documents and statements by the directors were used to establish PAHO's key themes. Results. Initially, 12 573 publications were obtained and 9 289 were considered for analysis for the period 1922 to 1996, and 3 208 for the period 1997 to 2022. For the bibliometric analysis of the Scopus information, indicators such as the authors and their origin, language of publication, and number and origin of citations were considered. For the visualizations, publications were divided into five periods so that they coincided with the periods established for the analysis of PAHO's priority themes. Keyword co-occurrence maps were made to observe the evolution of published topics and relate them to public health approaches in each period. Conclusion. The topics published in the Pan American Journal of Public Health and its precursor bulletins reflect the history of regional public health and its evolution over time, as well as the key health issues of the Pan American Health Organization.

[RESUMO]. Objetivos. Explorar o alinhamento do conteúdo dos artigos publicados na Revista Pan-Americana de Saúde Pública em seus 100 anos de existência com os principais temas de saúde da Organização Pan-Americana da Saúde (OPAS). Métodos. Fez-se uma análise bibliométrica com visualização de seus resultados. Informações sobre os artigos publicados na revista foram recuperadas do Repositório Institucional para o Intercâmbio de Informações (IRIS, na sigla em inglês) da OPAS para os primeiros 75 anos, e da base de dados Scopus para os últimos 25 anos, até fevereiro de 2022. Para estabelecer os principais temas da OPAS, foram usadas referências a documentos dos órgãos diretores e declarações dos diretores. Resultados. Inicialmente, foram obtidas 12 573 publicações – 9 289 foram consideradas na análise para o período de 1922 a 1996, e 3 208 para o período de 1997 a 2022. Para a análise bibliométrica das informações da Scopus, foram levados em consideração indicadores como os autores e sua procedência, o idioma das publicações e o número e a procedência das citações. Para as visualizações, as publicações foram divididas em cinco períodos para que coincidissem com os períodos estabelecidos para a análise dos temas prioritários da OPAS. Mapeou-se a co-ocorrência de palavras-chave para observar a evolução dos temas das publicações e para relacioná-los com os enfoques de saúde pública em cada período. Conclusão. Os temas publicados na Revista Pan-Americana de Saúde Pública e nos boletins que a ante- cederam refletem o histórico da saúde pública regional e sua evolução ao longo do tempo, bem como os principais temas de saúde da Organização Pan-Americana da Saúde.

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RESUMEN Objetivos. Explorar la alineación del contenido de los artículos publicados por la Revista Panamericana de Salud Pública durante sus 100 años de existencia, con los temas sanitarios claves de la Organización Panamericana de la Salud (OPS). Métodos. Se llevó a cabo un análisis bibliométrico con visualización de sus resultados. Se recuperó la información sobre los artículos publicados en la Revista a partir del Repositorio Institucional para Intercambio de Información (IRIS) de la OPS para los primeros 75 años y de Scopus para los últimos 25 años hasta febrero del 2022; para establecer los temas claves de la OPS se usaron referencias a documentos de los Cuerpos Directivos y declaraciones de los directores. Resultados. Se obtuvieron inicialmente 12 573 publicaciones y se consideraron para el análisis 9 289 para el período 1922 a 1996 y 3 208 para el período 1997 a 2022. Para el análisis bibliométrico de la información de Scopus se tuvieron en cuenta indicadores como los autores y su procedencia, el idioma de las publicaciones, y el número y la procedencia de las citas. Para las visualizaciones, se dividieron las publicaciones en cinco períodos a fin de que estos coincidieran con los períodos establecidos para el análisis de los temas prioritarios de la OPS. Se realizaron mapas de coocurrencia de palabras claves para observar la evolución de los temas de las publicaciones y relacionarlos con los enfoques de la salud pública en cada período. Conclusión. Las temáticas publicadas en la Revista Panamericana de Salud Pública y sus boletines precursores reflejan la historia de la salud pública regional y su evolución a lo largo del tiempo, así como los temas sanitarios claves de la Organización Panamericana de la Salud.

ABSTRACT Objectives. Explore how the content of the articles published by the Pan American Journal of Public Health during its 100 years of existence has aligned with the key health issues of the Pan American Health Organization (PAHO). Methods. A bibliometric analysis was carried out, with visualization of its results. Information on articles published in the Journal was retrieved from PAHO's Institutional Repository for Information Sharing (IRIS) for the first 75 years and Scopus for the last 25 years, until February 2022; References to Governing Bodies documents and statements by the directors were used to establish PAHO's key themes. Results. Initially, 12 573 publications were obtained and 9 289 were considered for analysis for the period 1922 to 1996, and 3 208 for the period 1997 to 2022. For the bibliometric analysis of the Scopus information, indicators such as the authors and their origin, language of publication, and number and origin of citations were considered. For the visualizations, publications were divided into five periods so that they coincided with the periods established for the analysis of PAHO's priority themes. Keyword co-occurrence maps were made to observe the evolution of published topics and relate them to public health approaches in each period. Conclusion. The topics published in the Pan American Journal of Public Health and its precursor bulletins reflect the history of regional public health and its evolution over time, as well as the key health issues of the Pan American Health Organization.

RESUMO Objetivos. Explorar o alinhamento do conteúdo dos artigos publicados na Revista Pan-Americana de Saúde Pública em seus 100 anos de existência com os principais temas de saúde da Organização Pan-Americana da Saúde (OPAS). Métodos. Fez-se uma análise bibliométrica com visualização de seus resultados. Informações sobre os artigos publicados na revista foram recuperadas do Repositório Institucional para o Intercâmbio de Informações (IRIS, na sigla em inglês) da OPAS para os primeiros 75 anos, e da base de dados Scopus para os últimos 25 anos, até fevereiro de 2022. Para estabelecer os principais temas da OPAS, foram usadas referências a documentos dos órgãos diretores e declarações dos diretores. Resultados. Inicialmente, foram obtidas 12 573 publicações - 9 289 foram consideradas na análise para o período de 1922 a 1996, e 3 208 para o período de 1997 a 2022. Para a análise bibliométrica das informações da Scopus, foram levados em consideração indicadores como os autores e sua procedência, o idioma das publicações e o número e a procedência das citações. Para as visualizações, as publicações foram divididas em cinco períodos para que coincidissem com os períodos estabelecidos para a análise dos temas prioritários da OPAS. Mapeou-se a co-ocorrência de palavras-chave para observar a evolução dos temas das publicações e para relacioná-los com os enfoques de saúde pública em cada período. Conclusão. Os temas publicados na Revista Pan-Americana de Saúde Pública e nos boletins que a antecederam refletem o histórico da saúde pública regional e sua evolução ao longo do tempo, bem como os principais temas de saúde da Organização Pan-Americana da Saúde.

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In solution, the solvent determines the molecular conformation and the chemical reaction viability and selectivity. When solvent-solute and solvent-solvent interactions present similar strengths, explicit salvation is the best way to describe a system. The problem to solve is how big the explicit shell should be. In this paper, we want to answer one of the fundamental questions in the implementation of explicit solvation, exactly how many solvent molecules should be added and where they should be placed. Here we determine the first solvent sphere around a molecule and describe how it controls the conformation and selectivity of a selected reaction. NMR experiments were carried out to identify the number of solvent molecules around the solute that constitutes the first solvent sphere, and the interaction between this solvent sphere and the solute was detected using DFT and QTAIM calculations. A new approach to the solvation energy is presented. Finally, we established the role of solvent molecules in the conformation of the solute and in the transition states that produce the two possible products of the reaction.

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Liquid chromatography high-resolution mass spectrometry fingerprinting together with pattern recognition techniques was used to determine the metabolites involved in the susceptibility of apple cultivars to rosy apple aphid (RAA). Preprocessing of ultra-high-performance liquid chromatography coupled to electrospray ionization and quadrupole time-of-flight mass spectrometry raw data of resistant and susceptible apple cultivars was carried out with XCMS and CAMERA packages. Univariate statistical tools and multivariate data analysis highlighted significant different profiles of the apple metabolomes according to their tolerance to RAA. Optimized and cross-validated Partial least squares discriminant analysis and orthogonal projections to latent structures discriminant analysis models confirmed trans-4-caffeoylquinic acid and 4-p-coumaroylquinic acid as biomarkers for the identification of resistant and susceptible apple cultivars to RAA and disclosed that only hydroxycinnamic acids are involved in the disease susceptibility of cultivars. In this sense, the final steps of the biosynthesis of caffeoylquinic acid (CQA) and p-coumaroylquinic acid (p-CoQA) become decisive because the isomerization of 5-CQA to 4-CQA is favored in resistant cultivars, whereas the isomerization of 5-p-CoQA to 4-p-CoQA is favored in susceptible cultivars.

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