4,332 research outputs found
Moving beyond DNA: towards functional analysis of the vaginal microbiome by non-sequencing-based methods
Over the last two decades, sequencing-based methods have revolutionised our understanding of niche-specific microbial complexity. In the lower female reproductive tract, these approaches have enabled identification of bacterial compositional structures associated with health and disease. Application of metagenomics and metatranscriptomics strategies have provided insight into the putative function of these communities but it is increasingly clear that direct measures of microbial and host cell function are required to understand the contribution of microbe–host interactions to pathophysiology. Here we explore and discuss current methods and approaches, many of which rely upon mass-spectrometry, being used to capture functional insight into the vaginal mucosal interface. In addition to improving mechanistic understanding, these methods offer innovative solutions for the development of diagnostic and therapeutic strategies designed to improve women’s health
Using discrete Ricci curvatures to infer COVID-19 epidemic network fragility and systemic risk
The damage of the novel Coronavirus disease (COVID-19) is reaching unprecedented scales. There are numerous classical epidemiology models trying to quantify epidemiology metrics. Usually, to forecast epidemics, classical approaches need parameter estimations, such as the contagion rate or the basic reproduction number. Here, we propose a data-driven, parameter-free, geometric approach to access the emergence of a pandemic state by studying the Forman-Ricci and Ollivier- Ricci network curvatures. Discrete Ollivier-Ricci curvature has been used successfully to forecast risk in nancial networks and we suggest that those results can provide analogous results for COVID-19 epidemic time-series. We rst compute both curvatures in a toy-model of epidemic time-series with delays, which allows us to create epidemic networks. We also compared our results to classical network metrics. By doing so, we are able to verify that the Ollivier-Ricci and Forman-Ricci curvatures can be a parameter-free estimate for identifying a pandemic state in the simulated epidemic. On this basis, we then compute both Forman-Ricci and Ollivier-Ricci curvatures for real epidemic networks built from COVID-19 epidemic time-series available at the World Health Organization (WHO). This approach allow us to detect early warning signs of the emergence of the pandemic. The advantage of our method lies in providing an early geometrical data marker for the pandemic state, regardless of parameter estimation and stochastic modelling. This work opens the possibility of using discrete geometry to study epidemic networks.
Keywords: COVID-19, SARS2, Forman-Ricci Curvature, Ollivier-Ricci curvature, Epidemiology, Topologi- cal Data Analysi
3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano[3,2-b]pyrrol-5-one: crystal structure and Hirshfeld surface analysis
The title isoaltholactone derivative, C13H13NO3, has an NH group in place of the ether-O atom in the five-membered ring of the natural product. The five-membered ring is twisted about the N—C bond linking it to the six-membered ring, which has a half-chair conformation with the O atom connected to the ether-O atom lying above the plane defined by the remaining atoms. The dihedral angle between the mean planes of the rings comprising the fused-ring system is 75.10 (8)°. In the crystal, hydroxy-O—H...N(amine) hydrogen bonding sustains linear supramolecular chains along the a axis. Chains are linked into a three-dimensional architecture via amine-N—H...π(phenyl) and phenyl-C—H...O(hydroxy) interactions. The influence of the amine-N—H...π(phenyl) contact on the molecular packing is revealed by an analysis of the Hirshfeld surface
Drivers of taxonomic bias in conservation research : a global analysis of terrestrial mammals
Scientific knowledge of species and the ecosystems they inhabit is the cornerstone of modern conservation. However, research effort is not spread evenly among taxa (taxonomic bias), which may constrain capacity to identify conservation risk and to implement effective responses. Addressing such biases requires an understanding of factors that promote or constrain the use of a particular species in research projects. To this end, we quantified conservation science knowledge of the world's extant non-marine mammal species (n = 4108) based on the number of published documents in journals indexed on Clarivate Analytics' Web of Science (TM). We use an innovative hurdle model approach to assess the relative importance of several ecological, biogeographical and cultural factors for explaining variation in research production between species. The most important variable explaining the presence/absence of conservation research was scientific capacity of countries within the range of the species, followed by body mass and years since the taxonomic description. Research volume (more than one document) was strongly associated with number of years since the data describing on that species, followed by scientific capacity within the range of species, high body mass and invasiveness. The threat status was weakly associated to explain the presence/absence and research volume in conservation research. These results can be interpreted as a consequence of the dynamic interplay between the perceived need for conservation research about a species and its appropriateness as a target of research. As anticipated, the scientific capacity of the countries where a species is found is a strong driver of conservation research bias, reflecting the high variation in conservation research funding and human resources between countries. Our study suggests that this bias could be most effectively reduced by a combination of investing in pioneering research, targeted funding and supporting research in countries with low scientific capacity and high biodiversity.Peer reviewe
Benefits of membrane electrodes in the electrochemistry of metalloproteins: mediated catalysis of Paracoccus pantotrophus cytochrome c peroxidase by horse cytochrome c: a case study
J Biol Inorg Chem. 2008 Jun;13(5):779-87. doi: 10.1007/s00775-008-0365-8A comparative study of direct and mediated electrochemistry of metalloproteins in bulk and membrane-entrapped solutions is presented. This work reports the first electrochemical study of the electron transfer between a bacterial cytochrome c peroxidase and horse heart cytochrome c. The mediated catalysis of the peroxidase was analysed both using the membrane electrode configuration and with all proteins in solution. An apparent Michaelis constant of 66 +/- 4 and 42 +/- 5 microM was determined at pH 7.0 and 0 M NaCl for membrane and bulk solutions, respectively. The data revealed that maximum activity occurs at 50 mM NaCl, pH 7.0, with intermolecular rate constants of (4.4 +/- 0.5) x 10(6) and (1.0 +/- 0.5) x 10(6) M(-1) s(-1) for membrane-entrapped and bulk solutions, respectively. The influence of parameters such as pH or ionic strength on the mediated catalytic activity was analysed using this approach, drawing attention to the fact that careful analysis of the results is needed to ensure that no artefacts are introduced by the use of the membrane configuration and/or promoters, and therefore the dependence truly reflects the influence of these parameters on the (mediated) catalysis. From the pH dependence, a pK of 7.5 was estimated for the mediated enzymatic catalysis
Analysis of the activation mechanism of Pseudomonas stutzeri cytochrome c peroxidase through an electron transfer chain
J Biol Inorg Chem (2011) 16:881–888
DOI 10.1007/s00775-011-0785-
Crystal Structure of Crataeva tapia Bark Protein (CrataBL) and Its Effect in Human Prostate Cancer Cell Lines
A protein isolated from the bark of Crataeva tapia (CrataBL) is both a Kunitz-type plant protease inhibitor and a lectin. We have determined the amino acid sequence and three-dimensional structure of CrataBL, as well as characterized its selected biochemical and biological properties. We found two different isoforms of CrataBL isolated from the original source, differing in positions 31 (Pro/Leu); 92 (Ser/Leu); 93 (Ile/Thr); 95 (Arg/Gly) and 97 (Leu/Ser). CrataBL showed relatively weak inhibitory activity against trypsin (K-iapp = 43 mu M) and was more potent against Factor Xa (K-iapp = 8.6 mu M), but was not active against a number of other proteases. We have confirmed that CrataBL contains two glycosylation sites and forms a dimer at high concentration. The high-resolution crystal structures of two different crystal forms of isoform II verified the beta-trefoil fold of CrataBL and have shown the presence of dimers consisting of two almost identical molecules making extensive contacts (similar to 645 angstrom(2)). The structure differs from those of the most closely related proteins by the lack of the N-terminal beta-hairpin. In experiments aimed at investigating the biological properties of CrataBL, we have shown that addition of 40 mM of the protein for 48 h caused maximum growth inhibition in MTT assay (47% of DU145 cells and 43% of PC3 cells). The apoptosis of DU145 and PC3 cell lines was confirmed by flow cytometry using Annexin V/FITC and propidium iodide staining. Treatment with CrataBL resulted in the release of mitochondrial cytochrome c and in the activation of caspase-3 in DU145 and PC3 cells
Consórcio de cana-de-açúcar com milho: recomendações de manejo para a região do Cerrado.
Na presente publicação, recomenda-se a integração de cana-de-açúcar com milho visando à otimização da logística de plantio tanto da cana-de-açúcar quanto da cultura do milho. Isso pode aumentar o potencial produtivo da cana- de-açúcar plantada no início do período chuvoso, ao mesmo tempo que intensifica a produção de milho em áreas já ocupadas por cana solteira. Considerando que a cana-de-açúcar ocorre em ciclos que variam em média de cinco a seis cortes, a janela de oportunidade para esta integração ocorre, principalmente, na renovação/plantio, que é escalonado em função dos recursos disponíveis, principalmente parque de máquinas e mão-de-obra. Cabe destacar que esse período coincide com a ociosidade industrial que poderia ser reduzida com o uso de culturas bioenergéticas, como o milho.bitstream/item/218582/1/CT-45-web.pd
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