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Infantile hemangioma is a benign vascular tumor, the most common in childhood, whose natural evolution is the disappearance of the lesion in the pediatric age and which has effective and safe treatments that limit its growth and favor its disappearance at younger ages. Infantile hemangioma continues to be a reason for attention to complications, due to erroneous diagnoses, lack of knowledge of the condition, late referral or fear of the effects of the medications used for its treatment. Furthermore, its presence is normalized without taking into account that it can cause uncertainty, anxiety, feelings of guilt and, as a consequence, a significant impact on the quality of life, mainly in the parents or caregivers of the child. The need for a clinical practice guideline in our country arises from the high presentation of late-remitted complications in infantile hemangioma even with the availability of adequate treatments, the continuous evolution of medicine and the appearance of new evidence. Throughout the guide you will find recommendations regarding the diagnosis, treatment and follow-up of patients with infantile hemangioma, taking into account the paraclinical tests that can be performed, topical or systemic management options, as well as adjuvant therapies. For the first time, objective tools for patient follow-up are included in a guide for the management of infantile hemangioma, as well as to help the first contact doctor in timely referral.
El hemangioma infantil es un tumor vascular benigno, el más frecuente de la infancia, cuya evolución natural favorece la desaparición de la lesión en la misma edad pediátrica y que cuenta con tratamientos eficaces y seguros que limitan su crecimiento y favorecen su desaparición a edades más tempranas. Continúa siendo motivo de atención de complicaciones, debido a diagnósticos erróneos, desconocimiento del padecimiento, referencia tardía o temor de los efectos de los fármacos utilizados para su tratamiento. Además, se normaliza su presencia sin tomar en cuenta que puede llegar a causar incertidumbre, ansiedad, sentimientos de culpa y, como consecuencia, importante afectación de la calidad de vida, principalmente en los padres o cuidadores del niño. La necesidad de una guía de práctica clínica en nuestro país surge ante la alta presentación de complicaciones del hemangioma infantil referidas de manera tardía aun con la disponibilidad de tratamientos adecuados, la evolución continua de la medicina y la aparición de nueva evidencia. A lo largo de la guía se encontrarán recomendaciones en relación con el diagnóstico, el tratamiento y el seguimiento de los pacientes con hemangioma infantil, tomando en cuenta los paraclínicos que pueden realizarse, las opciones de manejo tópico o sistémico, y las terapias adyuvantes. Por primera vez se incluyen en una guía para el manejo del hemangioma infantil herramientas objetivas para el seguimiento de los pacientes, así como para ayudar al médico de primer contacto en su referencia oportuna.
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Hemangioma , Humanos , Lactente , Seguimentos , Hemangioma/diagnóstico , Hemangioma/terapia , México , Qualidade de VidaRESUMO
Background: Several studies in mothers of infants with Down syndrome (DS) (MoIDS) have suggested that the 677C>T and 1298A>C variants of the 5,10-methylentetrahydrofolate reductase (MTHFR) gene can increase the risk of having a child with DS. Aim: This study aimed to evaluate the MTHFR 677C>T and 1298A>C variants as potential maternal risk factors for DS. Materials and Methods: Using TaqMan allelic discrimination assay, we genotyped 95 MoIDS and 164 control mothers from western Mexico. Data were analyzed using logistic regression analysis. Results: We found that MoIDS had a significantly higher risk for the MTHFR 677TT genotype (adjusted odds ratio [aOR] = 3.4, 95% confidence interval [95% CI]: 1.1-10.6), and the MTHFR 677T allele (aOR = 1.5, 95% CI: 1.0-2.3), particularly in MoIDS <35 years of age. Conclusions: Our findings indicate that the presence of the 677TT genotype and 677T allele of the MTHFR 677C>T variant are maternal risk factors for DS in Mexican MoIDS.
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Alelos , Síndrome de Down , Predisposição Genética para Doença , Genótipo , Metilenotetra-Hidrofolato Redutase (NADPH2) , Mães , Polimorfismo de Nucleotídeo Único , Humanos , Síndrome de Down/genética , Metilenotetra-Hidrofolato Redutase (NADPH2)/genética , México/epidemiologia , Feminino , Adulto , Lactente , Polimorfismo de Nucleotídeo Único/genética , Fatores de Risco , Predisposição Genética para Doença/genética , Estudos de Casos e Controles , Frequência do Gene/genética , Masculino , Gravidez , Razão de Chances , Recém-NascidoRESUMO
Introduction: To our knowledge, there are few examples of intrafamilial variability involving two different TP63-linked morphopathies within a same family. Here, we describe a Mexican family in which the son had ectrodactyly, ectodermal dysplasia, and cleft lip/palate syndrome 3 (EEC3), and his father acro-dermato-ungual-lacrimal-tooth (ADULT) syndrome, both heterozygous for the p.Arg266Gln pathogenic variant in TP63. Additionally, we reviewed the clinical information reported for this TP63 genotype. Case Presentation: The son of this family presented ectodermal defects (thin and sparse hair, mild nail dysplasia), tetramelic ectrodactyly, syndactyly, and nasolacrimal duct obstruction (NLDO), indicative of an EEC3 diagnosis. His father, however, exhibited severe NLDO, facial freckling, dental abnormalities, mild nail dysplasia, and a history of micturition problems, compatible with ADULT syndrome. Both were heterozygous for the NM_003722.5(TP63):c.797G>A (p.Arg266Gln) pathogenic variant in TP63. Discussion: This report expands the spectrum of intrafamilial variability confirming that this can include the expression of distinct types of TP63-related disorders among different members of the same family, whose implications should be also considered in genetic counseling. From our review, we observed that p.Arg266Gln variant seems to correlate particularly with the presence of NLDO, sparse hair/eyebrows, ridged/dystrophic nails, anodontia/hypodontia, and micturition difficulties, as well as for a minor frequency of cleft lip/cleft palate.
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This study presents an in vitro analysis of the bactericidal and cytotoxic properties of hybrid films containing nickel oxide (NiO) and nickel ferrite (NiFe2O4) nanoparticles embedded in polypropylene (PP). The solvent casting method was used to synthesize films of PP, PP@NiO, and PP@NiFe2O4, which were characterized by different spectroscopic and microscopic techniques. The X-ray diffraction (XRD) patterns confirmed that the small crystallite sizes of NiO and NiFe2O4 NPs were maintained even after they were incorporated into the PP matrix. From the Raman scattering spectroscopy data, it was evident that there was a significant interaction between the NPs and the PP matrix. Additionally, the Scanning Electron Microscopy (SEM) analysis revealed a homogeneous dispersion of NiO and NiFe2O4 NPs throughout the PP matrix. The incorporation of the NPs was observed to alter the surface roughness of the films; this behavior was studied by atomic force microscopy (AFM). The antibacterial properties of all films were evaluated against Pseudomonas aeruginosa (ATCC®: 43636™) and Staphylococcus aureus (ATCC®: 23235™), two opportunistic and nosocomial pathogens. The PP@NiO and PP@ NiFe2O4 films showed over 90% bacterial growth inhibition for both strains. Additionally, the effects of the films on human skin cells, such as epidermal keratinocytes and dermal fibroblasts, were evaluated for cytotoxicity. The PP, PP@NiO, and PP@NiFe2O4 films were nontoxic to human keratinocytes. Furthermore, compared to the PP film, improved biocompatibility of the PP@NiFe2O4 film with human fibroblasts was observed. The methodology utilized in this study allows for the production of hybrid films that can inhibit the growth of Gram-positive bacteria, such as S. aureus, and Gram-negative bacteria, such as P. aeruginosa. These films have potential as coating materials to prevent bacterial proliferation on surfaces.
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Nanopartículas , Polipropilenos , Humanos , Polipropilenos/química , Staphylococcus aureus , Antibacterianos/farmacologia , Antibacterianos/química , Nanopartículas/químicaRESUMO
(1) Dental caries, periodontitis, or peri-implantitis are commensal infections related to oral biofilm former bacteria. Likewise, magnesium oxide nanoparticles (MgO-NPs) were studied to introduce them to the antibacterial properties of a few microorganisms. Considering this, the purpose of the present investigation was to determine the antibacterial properties of MgO-NPs on representative oral strains. (2) Methods: MgO-NPs with a cubic crystal structure were obtained by magnesium hydroxide mechanical activation. After synthesis, the MgO-NPs product was annealed at 800 °C (2 h). The MgO-NPs obtained were tested against ten oral ATCC strains at ten serial concentrations (1:1 20.0-0.039 mg/mL per triplicate) using the micro-broth dilution method to determine the minimal inhibitory concentration (MIC) or minimal bactericidal concentration (MIB). Measures of OD595 were compared against each positive control with a Student's t-test. Viability was corroborated by colony-forming units. (3) Results: The polycrystalline structure had an average size of 21 nm as determined by X-ray diffraction and transmission electron microscopy (high resolution). Antimicrobial sensitivity was observed in Capnocytophaga gingivalis (MIB/MIC 10-5 mg/mL), Eikenella corrodens (MIB 10 mg/mL), and Streptococcus sanguinis (MIB 20 mg/mL) at high concentrations of the MgO-NPs and at lower concentrations of the MgO-NPs in Actinomyces israelii (MIB 0.039 mg/mL), Fusobacterium nucleatum subsp. nucleatum (MIB/MIC 5-2.5 mg/mL), Porphyromonas gingivalis (MIB 20 mg/mL/MIC 2.5 mg/mL), Prevotella intermedia (MIB 0.625 mg/mL), Staphylococcus aureus (MIC 2.5 mg/mL), Streptococcus mutans (MIB 20 mg/mL/MIC 0.321 mg/mL), and Streptococcus sobrinus (MIB/MIC 5-2.5 mg/mL). (4) Conclusions: The MgO-NPs' reported antibacterial properties in all oral biofilm strains were evaluated for potential use in dental applications.
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Resumen: Introducción: estudio de cohorte para evaluar la asociación entre el tiempo de inicio de nutrición con los días de ventilación mecánica invasiva (VMI) en pacientes con choque séptico. La ventilación mecánica (VM) es un soporte que mantiene al paciente mientras la lesión estructural o funcional por la que se indicó se corrige. La sepsis es una causa de disfunción diafragmática que contribuye a insuficiencia respiratoria; sin embargo, se dispone de pocos datos sobre la interacción entre sepsis y VM prolongada. Actualmente, aunque la nutrición se ha establecido como un pilar de apoyo y tratamiento en pacientes críticamente enfermos, el impacto de esta intervención es poco clara. Objetivo: verificar la existencia de la asociación entre el tiempo de inicio de la nutrición y la duración de la VMI en pacientes con choque séptico. Material y métodos: se realizó un estudio de cohorte prolectivo en pacientes con choque séptico y VMI, se documentó el tiempo de inicio de la nutrición, esta decisión fue independiente del estudio. Se dio seguimiento diario con respecto a los días que requirieron VMI y el inicio de nutrición enteral o parenteral. La nutrición temprana es cuando se inicia en las primeras 48 horas del ingreso a terapia intensiva. Se empleó Stata para el análisis estadístico, en el cual se utilizaron pruebas χ2 y regresión logística. Resultados: se incluyeron 131 pacientes con choque séptico y VMI, a 110 pacientes se les inició nutrición temprana y a 21 nutrición tardía. La edad promedio fue de 69 años, 23% (31) del total de los pacientes tenía diabetes mellitus (DM), que se presentó con mayor frecuencia en el grupo de nutrición tardía. En cuanto a la gravedad, no se encontró diferencia entre ambos grupos. La duración promedio con ventilación fue de dos días, con mayor tiempo en el grupo de inicio tardío de la nutrición (dos días vs cinco días, p = 0.012). No obstante, al ajustar por regresión logística, no se encontró diferencia estadísticamente significativa (OR 0.13, IC 95% 0.14-1.17, p = 0.69). Conclusiones: aunque la nutrición se considera un pilar de apoyo necesario en todo paciente crítico, de acuerdo con nuestros resultados, el momento de inicio no afecta directamente los días de VMI.
Abstract: Introduction: cohort study to evaluate the association between the start time of nutrition with the days of invasive mechanical ventilation (IMV) in patients with septic shock. Mechanical ventilation (MV) is a support that maintains the patient while the structural or functional injury for which it was indicated is corrected. Sepsis is a cause of diaphragmatic dysfunction, contributing to respiratory failure; however, few data are available on the interaction between sepsis and prolonged MV. Currently, although nutrition has been established as a mainstay of support and treatment in critically ill patients, the impact of this intervention is unclear. Objective: to verify the existence of the association between the start time of nutrition and the duration of IMV in patients with septic shock. Material and methods: a prolective cohort study was carried out in patients with septic shock and IMV was documented at the start of nutrition, this decision being independent of the study. Daily follow-up was given regarding the days that required IMV and the start of enteral or parenteral nutrition. Early nutrition is when it is started within the first 48 hours of admission to intensive care. Stata was used for statistical analysis in which χ2 tests and logistic regression were used. Results: 131 patients with septic shock and IMV were included, 110 patients started early nutrition and 21 delayed nutrition. The average age was 69 years, 23% (31) of the total patients had diabetes mellitus (DM), presenting more frequently in the late nutrition group. Regarding severity, no difference was found between the two groups. The average duration with ventilation was two days, with a longer time in the late start of nutrition group (2 days vs 5 days, p = 0.012). However, when adjusting for logistic regression, no statistically significant difference was found (OR 0.13, CI 95% 0.14-1.17, p = 0.69). Conclusions: although nutrition is considered a necessary support pillar in all critical patients, according to our results, the start time does not directly affect the days of invasive mechanical ventilation.
Resumo: Introdução: estudo de coorte para avaliar a associação entre o tempo de início da nutrição com os dias de ventilação mecânica invasiva (VMI) em pacientes com choque séptico. A ventilação mecânica (VM) é um suporte que mantém o paciente enquanto se corrige a lesão estrutural ou funcional para a qual foi indicada. A sepse é a causa da disfunção diafragmática, contribuindo para a insuficiência respiratória; no entanto, poucos dados estão disponíveis sobre a interação entre sepse e VM prolongada. Atualmente, embora a nutrição tenha se estabelecido como pilar de suporte e tratamento em pacientes críticos, o impacto dessa intervenção não está claro. Objetivo: verificar a existência de associação entre o tempo de início da nutrição e a duração da VMI em pacientes com choque séptico. Material e métodos: foi realizado um estudo de coorte proletivo em pacientes com choque séptico e VMI, o tempo para iniciar a nutrição foi documentado, sendo esta decisão independente do estudo. Foi feito acompanhamento diário dos dias que necessitaram de VMI e início de nutrição enteral ou parenteral. A nutrição precoce é quando é iniciada nas primeiras 48 horas de internação na terapia intensiva. Utilizou-se o Stata para a análise estatística em que foram utilizados os testes χ2 e regressão logística. Resultados: foram incluídos 131 pacientes com choque séptico e VMI, 110 pacientes iniciaram nutrição precoce e 21 nutrição tardia. A média de idade foi de 69 anos, 23% (31) do total de pacientes apresentavam diabetes mellitus (DM), apresentando-se com maior frequência no grupo de nutrição retardada. Em relação à gravidade, não foi encontrada diferença entre os dois grupos. A duração média da ventilação foi de 2 dias, com maior tempo no grupo de nutrição de início tardio (2 dias vs 5 dias, p = 0.012). No entanto, ao ajustar por regressão logística, não foi encontrada diferença estatisticamente significativa OR 0.13, IC (0.14-1.17) p = 0.69. Conclusões: embora a nutrição seja considerada um pilar de suporte necessário em todos os pacientes críticos, de acordo com nossos resultados, o horário de início não afeta diretamente os dias de ventilação mecânica invasiva.
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Introducción. El despliegue de nuevas tecnologías de la información y la comunicación lleva a plantear la ciberpsicología como la integración de los medios digitales a la vida y las relaciones humanas, así como la inmersión tecnológica en la práctica profesional; esto implica retos en la comprensión de los cambios que ha producido la tecnología en el desarrollo individual y social. El objetivo del presente artículo fue plantear una reflexión sobre los aspectos éticos en la ciberpsicología y las implicaciones prácticas, a la luz de una perspectiva del cuidado que integra el principio del bienestar en un entorno virtual. Temas de reflexión. En primer lugar, se analizan las principales normativas en el marco de los principios éticos y bioéticos, con énfasis en el contexto colombiano. En segundo lugar, se reflexiona sobre la perspectiva del cuidado y algunas consideraciones en los medios digitales. Finalmente, se revisan algunas implicaciones prácticas de la ciberpsicología. Conclusiones. La perspectiva del cuidado y su aplicación en la ciberpsicología es uno de los anclajes éticos orientados a la promoción de relaciones basadas en el bienestar. Las discusiones éticas desde la perspectiva del cuidado en medios digitales integra la competencia técnico-profesional a la competencia ética. Esto implica un constante análisis de la apropiación de las tecnologías como espacio de encuentro y también como parte del compromiso con el cuidado propio y de los usuarios
Introduction. The spread of new information and communication technologies results in cyberpsychology being proposed as the integration of new digital media into human relationships and life, also, as technological immersion in professional practices. This implies challenges in understanding the changes that technology has produced in individual and social development. The objective of this article was to propose a reflection on the ethical aspects of cyberpsychology and its practical implications, according to a care approach which integrates the wellbeing principle in a virtual environment. Topics of reflection. Firstly, the main regulations for cyberpsychology are analyzed in the framework of the ethical and bioethical principles, with emphasis on the Colombian context. Secondly, we reflect on the care approach and some considerations for digital media. Finally, some practical implications of cyberpsychology are reviewed. Conclusions. The care approach and its application to cyberpsychology is one of the ethical anchors aimed at the promotion of wellbeing-based relationships. Ethical discussions from the care approach to digital media integrate technical-professional competency with ethical competency. This implies a constant analysis of the appropriation of technologies as a meeting space and as part of the commitment to self and user care.
Introdução. A implantação de novas tecnologias de informação e comunicação leva a postular a ciberpsicologia como a integração das mídias digitais na vida e nas relações humanas, bem como a imersão tecnológica na prática profissional. Isso implica desafios na compreensão das mudanças que a tecnología tem produzido no desenvolvimento individual e social. O objetivo deste artigo foi propor uma reflexão sobre os aspectos éticos na ciberpsicologia e as implicações práticas, à luz de uma perspectiva assistencial que integre o princípio do bem-estar no ambiente virtual. Tópicos de reflexão. Em primeiro lugar, analisamse as principais regulamentações no marco dos princípios éticos e bioéticos, com ênfase no contexto colombiano. Em segundo lugar, reflete-se sobre a perspectiva do cuidado e algumas considerações nos meios digitais. Finalmente, são revisadas algumas implicações práticas da ciberpsicologia. Conclusões. A perspectiva do cuidado e sua aplicação na ciberpsicologia é uma das âncoras éticas voltadas à promoção de relações baseadas no bem-estar. As discussões éticas na perspectiva do cuidado em mídia digital integram competência técnico-profissional com a competência ética. Isso implica uma análise constante da apropriação das tecnologias como espaço de encontro, assim como parte do compromisso com o autocuidado e dos usuários
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Ética Profissional , Bioética , Análise Ética , Estratégias de eSaúde , Telessaúde MentalRESUMO
The identification of similar three-dimensional (3D) amino acid patterns among different proteins might be helpful to explain the polypharmacological profile of many currently used drugs. Also, it would be a reasonable first step for the design of novel multitarget compounds. Most of the current computational tools employed for this aim are limited to the comparisons among known binding sites, and do not consider several additional important 3D patterns such as allosteric sites or other conserved motifs. In the present work, we introduce Geomfinder2.0, which is a new and improved version of our previously described algorithm for the deep exploration and discovery of similar and druggable 3D patterns. As compared with the original version, substantial improvements that have been incorporated to our software allow: (i) to compare quaternary structures, (ii) to deal with a list of pairs of structures, (iii) to know how druggable is the zone where similar 3D patterns are detected and (iv) to significantly reduce the execution time. Thus, the new algorithm achieves up to 353x speedup as compared to the previous sequential version, allowing the exploration of a significant number of quaternary structures in a reasonable time. In order to illustrate the potential of the updated Geomfinder version, we show a case of use in which similar 3D patterns were detected in the cardiac ions channels NaV1.5 and TASK-1. These channels are quite different in terms of structure, sequence and function and both have been regarded as important targets for drugs aimed at treating atrial fibrillation. Finally, we describe the in vitro effects of tafluprost (a drug currently used to treat glaucoma, which was identified as a novel putative ligand of NaV1.5 and TASK-1) upon both ion channels' activity and discuss its possible repositioning as a novel antiarrhythmic drug.
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Is it possible to learn and create a first Hidden Markov Model (HMM) without programming skills or understanding the algorithms in detail? In this concise tutorial, we present the HMM through the 2 general questions it was initially developed to answer and describe its elements. The HMM elements include variables, hidden and observed parameters, the vector of initial probabilities, and the transition and emission probability matrices. Then, we suggest a set of ordered steps, for modeling the variables and illustrate them with a simple exercise of modeling and predicting transmembrane segments in a protein sequence. Finally, we show how to interpret the results of the algorithms for this particular problem. To guide the process of information input and explicit solution of the basic HMM algorithms that answer the HMM questions posed, we developed an educational webserver called HMMTeacher. Additional solved HMM modeling exercises can be found in the user's manual and answers to frequently asked questions. HMMTeacher is available at https://hmmteacher.mobilomics.org, mirrored at https://hmmteacher1.mobilomics.org. A repository with the code of the tool and the webpage is available at https://gitlab.com/kmilo.f/hmmteacher.
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Cadeias de Markov , Algoritmos , Probabilidade , SoftwareRESUMO
Hemoperitoneum secondary to non-traumatic liver rupture is a rare cause of an acute abdomen. We present the case of a patient with a hepatic rupture secondary to metastasis of a gastrointestinal stromal tumor (GIST) who required an emergent laparotomy due to hemodynamic instability. Intraoperatively, a lesion of more than 20cm dependent on the posterior gastric wall and a hemoperitoneum secondary to rupture of liver metastases and decapsulation of the Glisson capsule was evidenced. A frequent complication of GIST tumors is its rupture causing gastrointestinal bleeding or hemoperitoneum, as occurred in our case.
El hemoperitoneo secundario a estallido hepático no traumático es una causa poco frecuente de abdomen agudo. Se presenta el caso de una paciente con estallido hepático secundario a metástasis de un tumor del estroma gastrointestinal (GIST) que requirió una laparotomía emergente por inestabilidad hemodinámica. Se evidenció intraoperatoriamente una lesión de más de 20 cm dependiente de la pared posterior gástrica y un hemoperitoneo secundario a estallido de metástasis hepáticas y descapsulación de la cápsula de Glisson. Una complicación frecuente de los GIST es la rotura que ocasiona hemorragia digestiva o hemoperitoneo, como ocurrió en nuestro caso.
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Abdome Agudo , Tumores do Estroma Gastrointestinal , Neoplasias Hepáticas , Abdome Agudo/etiologia , Tumores do Estroma Gastrointestinal/complicações , Hemoperitônio/etiologia , Humanos , Neoplasias Hepáticas/complicações , Ruptura EspontâneaRESUMO
BACKGROUND: Plants in nature can be sequentially attacked by different arthropod herbivores. Feeding by one arthropod species may induce plant-defense responses that might affect the performance of a later-arriving herbivorous species. Understanding these interactions can help in developing pest-management strategies. In tomato, the sweet-potato whitefly Bemisia tabaci and the two-spotted spider mite Tetranychus urticae are key pests that frequently cohabit on the same plant. We studied whether colonization by one species can either facilitate or impede later colonization of tomato plants by conspecific or heterospecific individuals. RESULTS: B. tabaci females showed a strong preference for and increased oviposition on plants previously colonized by conspecifics. In contrast, plants infested with T. urticae repelled B. tabaci females and reduced their oviposition rate by 86%. Although females of T. urticae showed no preference between conspecific-infested or uninfested plants, we observed a 50% reduction in the number of eggs laid on conspecific-infested plants. Both herbivorous arthropods up-regulated the expression of genes involving the jasmonic acid and abscisic acid pathways, increasing emissions of fatty-acid derivatives, but only B. tabaci increased the expression of genes related to the salicylic acid pathway and the total amount of phenylpropanoids released. Terpenoids were the most abundant compounds in the volatile blends; many terpenoids were emitted at different rates, which might have influenced the arthropods' host selection. CONCLUSION: Our results indicate that B. tabaci infestation facilitated subsequent infestations by conspecifics and mites, while T. urticae infestation promoted herbivore-induced resistance. Based on both the molecular and behavioral findings, a novel sustainable pest-management strategy is discussed.
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Artrópodes , Ácaros , Solanum lycopersicum , Tetranychidae , Animais , Feminino , Herbivoria , HumanosRESUMO
Plants synthesize a large number of natural products, many of which are bioactive and have practical values as well as commercial potential. To explore this vast structural diversity, we present PSC-db, a unique plant metabolite database aimed to categorize the diverse phytochemical space by providing 3D-structural information along with physicochemical and pharmaceutical properties of the most relevant natural products. PSC-db may be utilized, for example, in qualitative estimation of biological activities (Quantitative Structure-Activity Relationship, QSAR) or massive docking campaigns to identify new bioactive compounds, as well as potential binding sites in target proteins. PSC-db has been implemented using the open-source PostgreSQL database platform where all compounds with their complementary and calculated information (classification, redundant names, unique IDs, physicochemical properties, etc.) were hierarchically organized. The source organism for each compound, as well as its biological activities against protein targets, cell lines and different organism were also included. PSC-db is freely available for public use and is hosted at the Universidad de Talca.
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Bases de Dados de Compostos Químicos , Compostos Fitoquímicos/química , Plantas/química , Simulação de Acoplamento Molecular , Compostos Fitoquímicos/metabolismo , Plantas/metabolismo , Relação Quantitativa Estrutura-AtividadeRESUMO
The initial colonization of the Americas remains a highly debated topic1, and the exact timing of the first arrivals is unknown. The earliest archaeological record of Mexico-which holds a key geographical position in the Americas-is poorly known and understudied. Historically, the region has remained on the periphery of research focused on the first American populations2. However, recent investigations provide reliable evidence of a human presence in the northwest region of Mexico3,4, the Chiapas Highlands5, Central Mexico6 and the Caribbean coast7-9 during the Late Pleistocene and Early Holocene epochs. Here we present results of recent excavations at Chiquihuite Cave-a high-altitude site in central-northern Mexico-that corroborate previous findings in the Americas10-17of cultural evidence that dates to the Last Glacial Maximum (26,500-19,000 years ago)18, and which push back dates for human dispersal to the region possibly as early as 33,000-31,000 years ago. The site yielded about 1,900 stone artefacts within a 3-m-deep stratified sequence, revealing a previously unknown lithic industry that underwent only minor changes over millennia. More than 50 radiocarbon and luminescence dates provide chronological control, and genetic, palaeoenvironmental and chemical data document the changing environments in which the occupants lived. Our results provide new evidence for the antiquity of humans in the Americas, illustrate the cultural diversity of the earliest dispersal groups (which predate those of the Clovis culture) and open new directions of research.
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Migração Humana/história , Camada de Gelo , Altitude , Arqueologia , Teorema de Bayes , Cavernas , Diversidade Cultural , DNA Antigo/análise , História Antiga , Humanos , MéxicoRESUMO
MOTIVATION: Root mean square deviation (RMSD) is one of the most useful and straightforward features for structural comparison between different conformations of the same molecule. Commonly, protein-ligand docking programs have included some utilities that allow the calculation of this value; however, they only work efficiently when exists a complete atom label equivalence between the evaluated conformations. RESULTS: We present LigRMSD, a free web-server for the automatic matching and RMSD calculations among identical or similar chemical compounds. This server allows the user to submit only a pair of identical or similar molecules or dataset of similar compounds to compare their three-dimensional conformations. AVAILABILITY AND IMPLEMENTATION: LigRMSD can be freely accessed at https://ligrmsd.appsbio.utalca.cl. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
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Proteínas , Software , Computadores , Ligantes , Conformação MolecularRESUMO
A Gamma irradiation and photochemical crosslinking/grafting of poly(2-hydroxyethyl methacrylate) (PHEMA) and poly(2-hydroxyethyl methacrylate-co-poly(ethylene glycol) methacrylate) (poly(HEMA-co-PEGMA)) hydrogels onto polyethyleneterephtalate fabric (PET) surfaces were evaluated, in order to obtain a hydrophilic homogeneous coating onto PET fabrics. The materials were characterized by FTIR-ATR, SEM, EDS, and thermal analysis. Furthermore, silver nanoparticles (AgNPs) were loaded by in situ reduction of AgNO3, and its antibacterial activity against Staphylococcus aureus and Escherichia coli was determined. Results showed a ticker coating of hydrogel using gamma radiation and stronger in deep modification of the fibers; however, by the photochemical method, a thin coating with good coverage of PET surface was obtained. The differences in hydrophilicity, thermal properties, and antibacterial activity of the coated fabrics by using both methods were rather small.
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Discovering conserved three-dimensional (3D) patterns among protein structures may provide valuable insights into protein classification, functional annotations or the rational design of multi-target drugs. Thus, several computational tools have been developed to discover and compare protein 3D-patterns. However, most of them only consider previously known 3D-patterns such as orthosteric binding sites or structural motifs. This fact makes necessary the development of new methods for the identification of all possible 3D-patterns that exist in protein structures (allosteric sites, enzyme-cofactor interaction motifs, among others). In this work, we present 3D-PP, a new free access web server for the discovery and recognition all similar 3D amino acid patterns among a set of proteins structures (independent of their sequence similarity). This new tool does not require any previous structural knowledge about ligands, and all data are organized in a high-performance graph database. The input can be a text file with the PDB access codes or a zip file of PDB coordinates regardless of the origin of the structural data: X-ray crystallographic experiments or in silico homology modeling. The results are presented as lists of sequence patterns that can be further analyzed within the web page. We tested the accuracy and suitability of 3D-PP using two sets of proteins coming from the Protein Data Bank: (a) Zinc finger containing and (b) Serotonin target proteins. We also evaluated its usefulness for the discovering of new 3D-patterns, using a set of protein structures coming from in silico homology modeling methodologies, all of which are overexpressed in different types of cancer. Results indicate that 3D-PP is a reliable, flexible and friendly-user tool to identify conserved structural motifs, which could be relevant to improve the knowledge about protein function or classification. The web server can be freely utilized at https://appsbio.utalca.cl/3d-pp/.
Assuntos
Sequência Conservada , Análise de Sequência de Proteína/métodos , Software , Sítio Alostérico , Sequência de Aminoácidos , Animais , Humanos , Conformação ProteicaRESUMO
Abstract 20. Conventional glass ionomer cements are used as dental provisional restorative materials, which present several advantages such as adhesion to the tooth mineral phase among others. On the other hand, the knowledge about biological property of glass ionomers shows various approaches and results. In this work, it was studied the in vitro biological response of human gingival fibroblasts in contact with commercial cements of glass ionomer: Mirafil® and Ionglass® and with their extracts, according to ISO 10993. The extracts of the cements, in which the cells were cultured, were adjusted at different concentrations ranging 0.1% to 100%. The cellular metabolic activity of gingival fibroblasts was measured using the Alamar Blue® reagent. The results showed a significant effect on the cellular metabolic activity correlated with the concentration of liberated ions (Al³+ and Ca²+) for both ionomers, as well as the pH variations of the culture media. This could mean that the cellular metabolic activity is substantially influenced by ions and pH of the cell culture.
Resumen 24. Los cementos de ionómero de vidrio convencionales se utilizan como materiales de restauración provisional para uso dental, los cuales presentan varias ventajas como la adhesión a la fase mineral de los dientes. Por otro lado, las propiedades biológicas de los ionómeros de vidrio muestran diversos enfoques y resultados. En éste trabajo se estudió la respuesta biológica in vitro de fibroblastos gingivales humanos en contacto con cementos comerciales de ionómero de vidrio: Mirafil® e Ionglass® y con sus respectivos extractos según la norma ISO 10993. Los extractos de los cementos en los que se cultivaron las células estaban en diferentes concentraciones: de 0.1% a 100%. La actividad metabólica celular se midió usando el reactivo Alamar Blue®. Los resultados mostraron un efecto significativo sobre la actividad metabólica celular correlacionada con la concentración de iones liberados (Al³+ y Ca²+) para ambos ionómeros, así como las variaciones de pH de los medios de cultivo. Ello podria explicar la influencia por los iones y el pH del cultivo celular en la actividad metabólica celular.
Assuntos
Cemento Dentário , Restauração Dentária Temporária , Cimentos de Ionômeros de Vidro/análise , Sobrevivência Celular , ÍonsRESUMO
Resumen: Introducción: La obesidad es una enfermedad crónica que se relaciona de manera causal con múltiples patologías y aumento de morbilidad y mortalidad. A nivel respiratorio genera disminución de distensibilidad y volumen pulmonar, con colapso de vías aéreas; esto, junto con la limitación del diafragma, favorece el colapso pulmonar y formación de atelectasias, con disminución de oxigenación y aumento en el riesgo de infección. Métodos: Estudio retrospectivo, transversal, en pacientes con ventilación mecánica invasiva (VMI) por más de 48 horas. Se valoraron datos demográficos y de VM. Resultados: Se analizaron 50 pacientes, en dos grupos: no obesos con IMC < 30 kg/m2, y obesos con IMC ≥ 30 kg/m2, con 35 y 15 pacientes respectivamente. Se encontró diferencia en la relación PaO2/FiO2 siendo mayor en no obesos 193 ± 112 (54-415) que en obesos 116 ± 58 (41-260) p < 0.0001. Se utilizó mayor PEEP (Presión positiva al final de la espiración) en los obesos 11 ± 2.8 (5-16) cmH2O que en los no obesos 9 ± 2.4 (5-16) cmH2O p < 0.007. La mortalidad fue de 28.6% (n = 10) en no obesos y de 40% (n = 6) en obesos; no presentó diferencia estadísticamente significativa. No se encontraron diferencias en los tiempos de ventilación mecánica y de estancia en UCI e intrahospitalaria. Análisis: En este estudio no se encontró diferencia significativa en mortalidad entre pacientes obesos y no obesos, a diferencia de lo que se ha encontrado en otros estudios; aunque la diferencia fue de 12%, en el grupo de obesos, se encontró de manera inicial menor oxigenación y requirieron de mayor PEEP para ventilarse, recuperando la oxigenación a las 24 horas. Conclusiones: No se encontró diferencia en este estudio. Se requiere mayor número de pacientes para valorar efecto en mortalidad.
Abstract: Introduction: Obesity has become a chronic illness which casually relates with multiple pathologies as well as with an increase in morbidity and mortality rates. On the respiratory system, it diminishes lung compliance, and tidal volume with airway collapse. This issue along with movement limitation from the diaphragm favors lung collapse, and atelectasis appearance causing oxygenation reduction while rising the risk of infection. Methodology: Retrospective transversal assay performed on patients undergoing invasive mechanical ventilation for over 48 hours. Demographic and mechanical ventilation values are to be evaluated. Results: 50 patients were analyzed having a tow group distribution, non-obese with a Body mass index (BMI) under 30 kg/m2, and obese with a Body mass index (BMI) over 30 kg/m2, having 35 and 15 patients respectively. A difference between the relation of the values PaO2/FiO2 was found been higher in the non-obese group 193 ± 112 (54-415), while in the obese group it was 116 ± 58 (41-260) p < 0.0001. A bigger value for the Positive end-expiratory pressure (PEEP) was used in obese patients 11 ± 2.8 (5-16) cmH2O compared to the non-obese group with which the PEEP value was 9 ± 2.4 (5-16) cmH2O p < 0.007. The mortality was of 28.6% (n = 10) in the non-obese group while it was 40% (n = 6) in the obese group, no relevant statistical differences were observed. There were no differences in the ventilation time values, neither was a difference for the hospital care or the Intensive Care Unit admission times. Analysis: No significant difference was observed regarding mortality rates between obese and non-obese group, in contrast to other assays. While a 12% difference was found in the oxygenation values between the two groups, having the obese group a lower oxygenation value. Conclusion: No significant differences were found in this study. A greater number of patients would be needed to evaluate the effect on the mortality rate.
Resumo: Introdução: A obesidade é uma doença crônica que está casualmente relacionada a múltiplas patologias e aumento da morbidade e mortalidade. A nível respiratório, causa diminuição da complacência e do volume pulmonar com colapso das vias aéreas; isso, juntamente com a limitação do diafragma favorece o colapso dos pulmões e a formação de atelectasias com diminuição da oxigenação e aumento do risco de infecção. Métodos: Estudo retrospectivo, transversal com ventilação mecânica invasiva (VMI) por mais de 48 horas. Se valoraron datos demográficos y de VM. Resultados: Foram analisados 50 pacientes em 2 grupos: não obesos com IMC < 30 kg/m2, e obesos com IMC ≥ 30 kg/m2 com 35 e 15 pacientes respectivamente. Foi encontrada uma diferença na relação PaO2/FiO2, sendo maior em não obesos 193 ± 112 (54-415) do que em obesos 116 ± 58 (41-260) p < 0.0001. Utilizadou-se maior PEEP (pressão expiratória final positiva) nos obesos 11 ± 2.8 (5-16) cmH2O do que nos não obesos 9 ± 2,4 (5-16) cmH2O p < 0.007. A mortalidade foi de 28.6% (n = 10) em pacientes não-obesos e de 40% (n = 6) em obesos, não apresentando diferença estatisticamente significante. Não foram encontradas diferenças no tempo de ventilação mecânica, permanência em UTI e hospitalar. Análise: Neste estudo não foi encontrada diferença significativa na mortalidade entre pacientes obesos e não obesos, em contraste com outros estudos, embora a diferença tenha sido de 12%, no grupo de pacientes obesos inicialmente encontrou-se eles menor oxigenação e necessitaram de maior PEEP para ventilar, recuperando a oxigenação às 24 horas.
RESUMO
Resumen Los estudios sobre percepción de inseguridad, victimización y restricciones en la vida cotidiana en países con altos índices de criminalidad son escasos. Objetivo: examinar la percepción de inseguridad, victimización y variaciones de las rutinas en función de la edad. Método: se ha realizado una adaptación de la Encuesta Nacional sobre Victimización y Percepción de Inseguridad (ENVIPE). Participaron 8.170 sujetos de ambos sexos (49,9 % mujeres y 50,1 % hombres), de entre 12 y 75 años, residentes en el Estado de Morelos, seleccionados a partir de un muestreo probabilístico estratificado y proporcional. Respecto a la edad, se establecieron los siguientes intervalos en función de las distintas etapas del ciclo vital: [12-17 años] 24 %, [18-20 años] 8 %, [21-30 años] 14 %, [31 y 40 años] 14 %, [41 y 60 años] 20 % y [61 o más años] 20 %. Resultados: indicaron diferencias significativas en la percepción de inseguridad, victimización y restricciones en las actividades cotidianas en función de la edad. Los adolescentes informaron de mayor percepción de inseguridad y de menos restricciones en su vida cotidiana. También, los adolescentes y los mayores de 61 años presentaron una menor victimización. Conclusión: los adolescentes constituyen el grupo de mayor vulnerabilidad para la victimización, perciben mayor inseguridad y realizan menos cambios en sus rutinas para protegerse de la delincuencia. Finalmente, se discuten los resultados.
Abstract Studies on the perception of insecurity, victimization and restrictions in daily life in countries with high crime rates are scarce. Objective: examining the awareness of insecurity and victimization, and the routine variations taking place according to age. Method: an adaptation has been made of the National Survey on Victimization and Perception of Insecurity (ENVIPE). A total of 8,170 subjects of both sexes (49.9% women and 50.1% men), between 12 and 75 years old, residents in the State of Morelos, selected from a stratified and proportional probabilistic sampling. Regarding age, the following intervals were established depending on the different stages of the life cycle: [12-17 years] 24%, [18-20 years] 8%, [21-30 years] 14%, [31 and 40 years] 14%, [41 and 60 years] 20% and [61 or above] 20%. Results: Significant differences in the perception of insecurity, victimization and restrictions in daily activities based on age were shown. Adolescents reported greater insight with respect to insecurity and fewer restrictions in their daily lives. Also, adolescents and those over 61 years of age presented lower victimization. Conclusion: adolescents are the most vulnerable group for victimization; they perceive higher uncertainty and generally introduce fewer changes in their routines to protect themselves from crime. Finally, the results are discussed.
Resumo Os estudos sobre a percepção da insegurança, vitimização e as limitações na vida diária nos países com índices elevados de criminalidade são escassos. Objetivo: examinar a percepção da insegurança, vitimização e as variações das rotinas baseadas na idade. Método: uma adaptação da Escola Nacional sobre Vitimização e Percepção de Insegurança (ENVIPE) foi realizada. 8.170 sujeitos de ambos os sexos participaram (49.9% mulheres e 50.1% homens), entre e 75 anos, residentes no estado de Morelos, selecionados de uma amostra probabilística estratificada e proporcional. Com respeito à idade, os seguintes intervalos baseados nos diferentes estágios do ciclo vital forma estabelecidos: [12-17 anos] 24%, [18-20 anos] 8%, [21-30 anos] 14%, [31 e 40 anos] 14%, [41 e 60 anos] 20% e [61 ou mais anos] 20%. Resultados: indicaram diferenças significativas na percepção de insegurança, vitimização e as limitações nas atividades diárias baseadas na idade. Os adolescentes informaram uma maior percepção de insegurança e de menos limitações em sua vida diária. Também, os adolescentes e maiores de 61 anos apresentaram uma vitimização menor. Conclusão: os adolescentes constituem o grupo de maior vulnerabilidade para a vitimização, percebem maior insegurança e fazem menos mudanças em suas rotinas para proteger-se da delinquência. Finalmente, os resultados são discutidos.