Exploring Cheminformatic Toolsets for Predicting the Dermal Toxicity of Furanocoumarins

Linear furanocoumarins are skin sensitizers and anticancer agents whose appeal in skincare therapeutics is widely exploited. Owing to the need to predict the biological activities of medicines, this work aimed the investigate the predicted dermal toxicity of linear furanocoumarins through chemoinformatic approaches. Therefore, eight major linear furanocoumarins of interest in medicine were selected, and their pharmacophores / toxicophores were modelled and inputted in several databases and cheminformatic toolsets previously described in the literature. Moreover, Principal Components Analysis was performed to allow multivariable comparisons. Results showcased that the first two PCs accounted for 95.48% of all variance in the model, and molecular weight and polar surface showcased a positive correlation to Log P and Log Kp, which may be involved in skin penetration. Moreover, the pharmacophore modelling evidenced superimposition between linear furanocoumarins, ethidium bromide and acridine orange, thereby suggesting that these compounds share similar biological effects, supported by their acknowledged DNA intercalating activities. Therefore, this work showcased the application of various cheminformatic tools to screen the dermal toxicity of chemicals

Escuta na relação médico-paciente: uma arte perdida

INTRODUÇÃO: A relação médico-paciente teve várias reinterpretações no decorrer dos séculos sendo pautada na escuta atenta primordialmente, característica que vêm sendo negligenciada em muitos contextos atuais. Tal relação médico-paciente se mostra fundamental para compreensão do quadro patológico em análise e, também, para o entendimento desse paciente como ser humano o que atribuirá maior dignidade a esse momento tão íntimo, porém tão essencial na prática médica. Com isso, a literatura pode ser utilizada como uma ferramenta para incentivar o desenvolvimento humano dos profissionais e estudantes e subsequentemente a reflexão disso nessa importante relação. DESENVOLVIMENTO: Atualmente se percebe notável enfraquecimento da relação médico-paciente devido, principalmente, ao culto exacerbado do tecnicismo e depreciação do cultural, como os vários segmentos da literatura, quando, na verdade, cada um desses aspectos possuem seu espaço e devem se complementar. Tendo isso em vista, ocorre um maior distanciamento entre médico e paciente o que acaba por prejudicar a imagem do exame clínico moldado pelo que deveria ser um co-protagonismo entre esses dois indivíduos.  Devido a isso, o médico se torna cada vez mais insensível e, por conseguinte, o paciente se torna cada vez mais inalcançável o que dificulta a devida promoção de saúde e futuro bem-estar desta pessoa. Assim, a literatura pode inserir-se como uma ferramenta que estimulará mudança desse contexto, seja pelo contato do médico com temas recorrentes no seu dia a dia a partir da visão de seus pacientes; seja pelo próprio autoconhecimento adquirido capaz de fazê-lo compreender a vulnerabilidade dos seres humanos, inclusive a sua própria. Ademais, outra importante função que a literatura pode propiciar é a de facilitar a própria coleta dos dados – por meio da linguagem ou até mesmo por ações realizadas pelo profissional – a qual terá desdobramentos importantes no prognóstico daquele paciente.  CONCLUSÃO:  Médicos e estudantes dessa área devem propiciar o maior conforto possível para o paciente que se encontra no estado de vulnerabilidade que a moléstia propicia e isso pode ser alcançado mais fácil e eficientemente com a utilização da literatura associada ao tecnicismo de maneira que se tornem complementares e abarquem os vários segmentos inerentes ao ser humano

First record of Phaenoglyphis villosa (Hartig, 1841) in Brazil (Hymenoptera: Cynipoidea: Figitidae: Charipinae)

Phaenoglyphis villosa (Hartig, 1841) (Hymenoptera: Figitidae: Charipinae) is a secondary endoparasitoid of Aphidiinae (Hymenoptera: Braconidae), a subfamily which are important primary parasitoids of aphids (Hemiptera: Aphididae). It is here registered for the first time in Brazil, collected from primary parasitoids in field-exposed aphids. Phaenoglyphis villosa was recorded during wheat crop season (winter and spring), emerging from Rhopalosiphum padi (Linnaeus, 1758) mummies (n = 35♀). It was also recorded from Sitobion avenae (Fabricius, 1775) mummies, in wheat crop season (late winter) (n = 13♀) and black oat crop season (late autumn) (n = 1♀). We suggest three possible primary braconid parasitoids as hosts to this hyperparasitoid: Aphidius platensis Brèthes, 1913, Aphidius rhopalosiphi de Stefani-Perez, 1902, and Aphidius uzbekistanicus Luzhetzki, 1960

Modulation of blood redox status by the progression of induced apical periodontitis in rats

This study aimed to investigate if apical periodontitis in different periods changes systemic levels of the antioxidant and pro-oxidant parameters in Wistar rats. Twenty-four rats were randomly allocated into healthy animals, apical periodontitis at 14 days (AP14) and apical periodontitis at 28 days (AP28). The first mandibular molars were accessed in the AP groups, and the pulp chamber was exposed to the oral environment, inducing the apical lesion. After 14 and 28 days, the animals were anesthetized, euthanized, and hemimandibles were collected for micro-computed tomography (micro-CT) analysis to measure lesion volume, bone volume (BV), percent of bone to total tissue volume (BV/TV), trabecular thickness (Tb.Th), trabecular number (Tb.N), and trabecular space (Tb.Sp). A histological examination of the remaining bone was also performed. Finally, blood samples were collected for oxidative biochemistry analysis, investigating glutathione (GSH), Trolox equivalent antioxidant capacity (TEAC), and lipid peroxidation (TBARS). The lesion volume was greater at 28 than at 14 days, as shown by micro-CT. AP14 and AP28 had decreased BV and Tb.Th, but only AP28 showed a reduction in BV/TV. Tb.N and Tb. Sp were increased in apical periodontitis at 28 days. In the histopathological analysis, AP14 had focal regions of moderate mononuclear inflammatory infiltrate, and AP28 had an intense inflammatory infiltrate with bacterial colonies. In the biochemical evaluation, GSH, TEAC, and TBARS were increased after 14 days. However, GSH returned to control levels, TEAC was similar to AP14, and TBARS increased significantly after 28 days. Therefore, the oxidative biochemistry response was modulated according to the progression of periapical damage. After 14 days, the organism could still react to the injury. However, at 28 days, the antioxidant response decreased, associated with an increase in TBARS

Impacto das internações por osteomielite: Uma avaliação da prevalência e gravidade

Osteomyelitis is an inflammatory and infectious condition that affects the bone, resulting in significant damage and, in severe cases, even life-threatening complications. This bone infection can be caused by a variety of infectious agents and can arise in different ways, from sudden acute infections to persistent chronic infections. The study of the incidence of osteomyelitis is extremely important due to its clinical and epidemiological implications. Understanding the incidence of osteomyelitis in different populations and geographic regions can contribute to the development of targeted public health policies and more assertive prevention programs. Therefore, the objective of this work was to outline an epidemiological overview of hospitalizations caused by osteomyelitis in Brazil, from 2019 to 2023. This is an ecological time series study, which used data from the Hospital Information System (SIH) of the DATASUS. This comprehensive source offers a detailed overview of hospital admissions caused by osteomyelitis in Brazil. We describe a subtle 4% reduction in hospital admissions for osteomyelitis in Brazil, with the Southeast accounting for the majority of admissions. Furthermore, it was possible to identify that men, mixed race, aged between 40 and 49 years old were the most affected and that the majority of hospitalizations were urgent. A subtle reduction in hospitalizations for osteomyelitis is an encouraging indicator in a public health context, suggesting progress in the prevention, diagnosis, and treatment of this debilitating condition. To maintain and expand this positive trend, it is critical to continue investing in health education, clinical research, and health infrastructure, ensuring that all individuals have equitable access to prevention and treatment services.A osteomielite é uma condição inflamatória e infecciosa que afeta o osso, resultando em danos significativos e, em casos graves, até mesmo em complicações potencialmente fatais. Essa infecção óssea pode ser causada por uma variedade de agentes infecciosos e pode surgir de diferentes formas, desde infecções agudas repentinas até infecções crônicas persistentes. O estudo da incidência da osteomielite é de extrema importância devido às suas implicações clínicas e epidemiológicas. Compreender a incidência da osteomielite em diferentes populações e regiões geográficas pode contribuir para o desenvolvimento de políticas de saúde pública direcionadas e programas de prevenção mais assertivos. Dessa forma, o objetivo desse trabalho foi traçar um panorama epidemiológico das internações causadas por osteomielite no Brasil, no período de 2019 a 2023. Trata-se de um estudo ecológico de séries temporais, que usou dados do Sistema de Informações Hospitalares (SIH) do DATASUS. Essa fonte abrangente oferece uma visão detalhada das internações hospitalares causadas por osteomielite no Brasil. Descrevemos uma redução sutil de 4% nas internações hospitalares por osteomielite no Brasil, com o Sudeste sendo responsável pela maioria das internações. Além disso, foi possível identificar que homens, pardos, com idade entre 40 a 49 anos foram os mais acometidos e que a maioria das internações foi em caráter de urgência. Uma sutil redução nas internações por osteomielite é um indicador encorajador no contexto de saúde pública, sugerindo progresso na prevenção, diagnóstico e tratamento dessa condição debilitante. Para manter e expandir essa tendência positiva, é fundamental continuar investindo em educação em saúde, pesquisa clínica e infraestrutura de saúde, garantindo que todos os indivíduos tenham acesso equitativo a serviços de prevenção e tratamento

Catálogo Taxonômico da Fauna do Brasil: setting the baseline knowledge on the animal diversity in Brazil

The limited temporal completeness and taxonomic accuracy of species lists, made available in a traditional manner in scientific publications, has always represented a problem. These lists are invariably limited to a few taxonomic groups and do not represent up-to-date knowledge of all species and classifications. In this context, the Brazilian megadiverse fauna is no exception, and the Catálogo Taxonômico da Fauna do Brasil (CTFB) (http://fauna.jbrj.gov.br/), made public in 2015, represents a database on biodiversity anchored on a list of valid and expertly recognized scientific names of animals in Brazil. The CTFB is updated in near real time by a team of more than 800 specialists. By January 1, 2024, the CTFB compiled 133,691 nominal species, with 125,138 that were considered valid. Most of the valid species were arthropods (82.3%, with more than 102,000 species) and chordates (7.69%, with over 11,000 species). These taxa were followed by a cluster composed of Mollusca (3,567 species), Platyhelminthes (2,292 species), Annelida (1,833 species), and Nematoda (1,447 species). All remaining groups had less than 1,000 species reported in Brazil, with Cnidaria (831 species), Porifera (628 species), Rotifera (606 species), and Bryozoa (520 species) representing those with more than 500 species. Analysis of the CTFB database can facilitate and direct efforts towards the discovery of new species in Brazil, but it is also fundamental in providing the best available list of valid nominal species to users, including those in science, health, conservation efforts, and any initiative involving animals. The importance of the CTFB is evidenced by the elevated number of citations in the scientific literature in diverse areas of biology, law, anthropology, education, forensic science, and veterinary science, among others

Physics case for an LHCb Upgrade II - Opportunities in flavour physics, and beyond, in the HL-LHC era

The LHCb Upgrade II will fully exploit the flavour-physics opportunities of the HL-LHC, and study additional physics topics that take advantage of the forward acceptance of the LHCb spectrometer. The LHCb Upgrade I will begin operation in 2020. Consolidation will occur, and modest enhancements of the Upgrade I detector will be installed, in Long Shutdown 3 of the LHC (2025) and these are discussed here. The main Upgrade II detector will be installed in long shutdown 4 of the LHC (2030) and will build on the strengths of the current LHCb experiment and the Upgrade I. It will operate at a luminosity up to 2×1034 cm−2s−1, ten times that of the Upgrade I detector. New detector components will improve the intrinsic performance of the experiment in certain key areas. An Expression Of Interest proposing Upgrade II was submitted in February 2017. The physics case for the Upgrade II is presented here in more depth. CP-violating phases will be measured with precisions unattainable at any other envisaged facility. The experiment will probe b → sl+l−and b → dl+l− transitions in both muon and electron decays in modes not accessible at Upgrade I. Minimal flavour violation will be tested with a precision measurement of the ratio of B(B0 → μ+μ−)/B(Bs → μ+μ−). Probing charm CP violation at the 10−5 level may result in its long sought discovery. Major advances in hadron spectroscopy will be possible, which will be powerful probes of low energy QCD. Upgrade II potentially will have the highest sensitivity of all the LHC experiments on the Higgs to charm-quark couplings. Generically, the new physics mass scale probed, for fixed couplings, will almost double compared with the pre-HL-LHC era; this extended reach for flavour physics is similar to that which would be achieved by the HE-LHC proposal for the energy frontier

LHCb upgrade software and computing : technical design report

This document reports the Research and Development activities that are carried out in the software and computing domains in view of the upgrade of the LHCb experiment. The implementation of a full software trigger implies major changes in the core software framework, in the event data model, and in the reconstruction algorithms. The increase of the data volumes for both real and simulated datasets requires a corresponding scaling of the distributed computing infrastructure. An implementation plan in both domains is presented, together with a risk assessment analysis

Multidifferential study of identified charged hadron distributions in ZZ-tagged jets in proton-proton collisions at s=\sqrt{s}=13 TeV

Jet fragmentation functions are measured for the first time in proton-proton collisions for charged pions, kaons, and protons within jets recoiling against a $Z$ boson. The charged-hadron distributions are studied longitudinally and transversely to the jet direction for jets with transverse momentum 20 $< p_{\textrm{T}} < 100$ GeV and in the pseudorapidity range $2.5 < \eta < 4$. The data sample was collected with the LHCb experiment at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 1.64 fb$^{-1}$. Triple differential distributions as a function of the hadron longitudinal momentum fraction, hadron transverse momentum, and jet transverse momentum are also measured for the first time. This helps constrain transverse-momentum-dependent fragmentation functions. Differences in the shapes and magnitudes of the measured distributions for the different hadron species provide insights into the hadronization process for jets predominantly initiated by light quarks.Comment: All figures and tables, along with machine-readable versions and any supplementary material and additional information, are available at https://cern.ch/lhcbproject/Publications/p/LHCb-PAPER-2022-013.html (LHCb public pages