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Thyme, Oregano, and Cinnamon Essential Oils: Investigating Their Molecular Mechanism of Action for the Treatment of Bacteria-Induced Cystitis
No full textPathogen infections, exacerbated by emerging drug resistance, remain among the most challenging health issues, for which multitargeting approaches may offer effective solutions. In this context, medicinal plants, including essential oils, provide complex mixtures of diverse molecules that can exert therapeutic effects, either alone or synergistically with established antibiotics. Although several databases comprehensively collect information on the antibacterial properties of medicinal plants, including chemical composition, bioactivity data, and ethnobotanical uses, there is a notable lack of tools to hypothesize mechanisms of action. To address this gap, we developed a computational pipeline that integrates chemoinformatics and bioinformatics, specifically designed for scenarios in which only the chemical composition of a complex mixture of natural phytocompounds is available. Beginning with an ultralarge, structure-based screening across thousands of proteins and their potential binding sites of six bacterial species, we used the predicted targets as input for bioinformatics tools commonly employed in the omics fields, such as pathway enrichment analysis and network analysis. Using this pipeline, we modeled how the essential oils of thyme, oregano, and cinnamon exert antibacterial activity against six bacterial pathogens. Applied here in the context of urinary tract infection, but extendable to other therapeutic scenarios, this pipeline provides a novel protocol for mode of action investigation and experimental prioritization, to be applied in drug discovery involving natural substances
Reconciling links between diversity and population stability across global plant communities
No full text: Maintaining ecological stability is essential for sustaining ecosystem functions and the benefits they provide to society. Ecological theory predicts that plant diversity destabilizes local populations, yet empirical studies report variable effects. We hypothesize that this discrepancy arises at least in part from differences captured by different diversity (average vs cumulative richness, i.e. the mean annual richness vs the cumulative richness across years) and stability metrics (abundance-unweighted vs weighted mean population stability). To test this, we analyzed data from > 8000 permanent vegetation plots across biomes on five continents. We found a negative (i.e. destabilizing) diversity-stability relationship when using abundance-weighted rather than unweighted measures of population stability, which are more influenced by dominant species. Similarly, cumulative richness - capturing total species occurrence over time and long-term turnover - reveals a stronger destabilizing effect compared to average annual richness. Our findings reveal that, when specific metrics of diversity and stability are considered, more species and potentially the associated increase in interspecific competition tend to destabilize populations across natural ecosystems world-wide - particularly those of dominant species
A globally consistent scaling relationship reveals stabilizing effects of dominant species in plant communities
No full textDespite extensive research, stabilizing mechanisms in ecosystems remain uncertain. Taylor's power law (TPL) is a pervasive ecological pattern that describes how variance scales with mean abundance (σ2 = aμb). While TPL has been widely studied within populations, its role across species within communities and its implications for stability remain largely unexplored. A TPL scaling factor (b) < 2 implies an unexplored stabilizing effect of dominant species (hereafter the ‘dominance effect'), where community stability arises from dominant species being relatively more stable than subordinates. This study aims to explore the influence of TPL exponent b on the dominance effect on stability and identify the biotic and abiotic community factors shaping it. Using data from over 9000 permanent vegetation plots globally, we investigated within-community TPL, linked it to the dominance effect, and examined drivers of b values. Results reveal a strong contribution of b, together with species evenness, to dominance effects on stability. A ubiquitous TPL (mode R2 = 0.92) with a consistent b < 2 highlights widespread dominance effects. Lower b values were linked to resource-conservative strategies and climatic seasonality, reinforcing the role of environmental filtering in stability. These findings highlight the widespread dominance effect on community temporal stability, particularly driven by woody, large-seeded species in cold, seasonal climates. Moreover, results identify the TPL exponent b as a powerful indicator of dominant species' stabilizing effects, complementing the well-known role of species diversity
Towards an easy production of novel pyoverdines by an antarctic Pseudomonas strain: a spectroscopic and HPLC-MS/MS characterization study
No full textBacterial secondary metabolites are fundamental molecules not only in several microbial processes, but also in various sectors of today's economy, especially in human health and agriculture. Siderophores are important secondary metabolites produced by various bacterial strains, including Pseudomonas species, under iron-deficient conditions. Pyoverdines are fluorescent types of siderophores with molecular mass between 889 and 1764 Da that have strong affinity to iron and other metals. In this study, Pseudomonas sp. ef1, isolated from a consortium associated with the Antarctic psychrophilic ciliate Euplotes focardii, was cultured under iron-deficiency conditions to induce pyoverdine production, in the presence of 1 % w/v glucose as a sole carbon source. The produced pyoverdines were purified and characterized by UV–Vis, fluorescence spectroscopy and HPLC-MS/MS analysis. The isolated and characterized compounds were represented by two different Group 1 Pyoverdines, both containing six amino acids peptide chain, with the following sequence: cOHOrn-Ala-Thr-Ala-OHAsp-Lys. The two pyoverdines differ only in the sidechain dicarboxylic acid, called RSC, that usually consists either of succinic/malic acid or their monoamide analogues, or glutamic/α-ketoglutaric acid. One of the two pyoverdines produced by Pseudomonas sp. ef1 is reported for the first time. The study of novel pyoverdines contribute to understand the role of secondary metabolites in modulating bacterial consortia. Furthermore, it opens new perspective in different possible applications
Sleep loss induces cholesterol-associated myelin dysfunction
No full textThe increasing prevalence of sleep deprivation poses a public health challenge in modern society. Manifestations of reduced alertness, such as slowed reaction times and increased errors, are well-documented behavioral indicators of sleep loss (SL). Yet, the biological consequences of sleep deprivation and their role in behavioral impairment remain elusive. Our study reveals significant effects of sleep deprivation on myelin integrity. As a result, we identify increased conduction delays in nerve signal propagation, hindered interhemispheric synchronization, and impaired cognitive and motor performance associated with SL. By profiling oligodendrocyte transcriptome and lipidome, we observe SL-induced endoplasmic reticulum stress and lipid metabolism dysregulation, particularly affecting cholesterol homeostasis. Boosting cholesterol transport to myelin sheaths prevents SL effects on nerve signal propagation and behavior. Our findings highlight a possible role of oligodendrocyte cholesterol dysregulation in behavioral deficits associated with SL and unveil a novel target for intervention
The Role of Digital Twins in Environmental, Social, and Governance: A Sustainability Perspective for Companies
No full textEnvironmental, Social, and Governance (ESG) is a priority for companies that are required to adopt innovative strategies for sustainability, compliance, and corporate responsibility. Investors use ESG criteria to evaluate the future financial performance of companies by assessing their level of responsibility and sustainability. National regulations also require companies to transparently report their ESG performance in their financial statements. Digital Twin technology is an emerging innovation that enables companies to create virtual counterparts of real-world entities, including physical assets, processes, and even entire organizations. By integrating real-time data, Digital Twins provide advanced functionalities such as monitoring, simulation, prediction, and optimization, enhancing operational efficiency and decision-making. In this paper, we examine the role of Digital Twins in supporting the implementation of ESG principles within organizations. Our findings are based on experiences with various Italian companies across different sectors undergoing digital transformation processes. We also discuss key issues that companies must address when integrating ESG principles with Digital Twin technology
A window into a middle Eocene mesotrophic mixed siliciclastic-carbonate system from the South American Pacific margin (Paracas Formation, Pisco Basin, Peru).
No full textThe Paracas Formation of the Pisco Basin (southern Peru) includes the lower Los Choros Member and the upper Yumaque Member and preserves key paleoenvironmental information on the shallow-marine tropical ecosystems of the eastern Pacific in middle Eocene times. This study focuses on five stratigraphic sections and a few minor outcrops of the Los Choros Member exposed in the Ica Desert. Sedimentological observations, X-ray diffraction data, and micropaleontology reveal a vertical transition from coarse-grained, mixed siliciclastic-carbonate bioclastic deposits resting unconformably on the pre-Cenozoic basement, to finer-grained fossiliferous mudstones of the overlying Yumaque Member. Large benthic foraminifera from the Los Choros Member and nannofossils from the base of the overlying Yumaque Member constrain the deposition of the former to around 43 Ma. Skeletal assemblages include both large and small benthic foraminifera along with mollusks, barnacles, red algae, echinoderms and bryozoans, pointing to a warm-temperate to tropical, shallow-marine setting characterized by moderate hydrodynamic energy and mesotrophic conditions. Despite being taxonomically distinct, the carbonate-producing systems of the paleo-Pacific display functional similarities with the coeval Tethys platforms. These systems evolved independently until the Oligocene, when lepidocyclinids expanded into the Tethys, thereby replacing rapidly the indigenous, nummulitid-dominated faunas. The factors behind the evolutionary success and dispersal of the lepidocyclinids are still largely unknown, but the sedimentological and paleoecological features of the Los Choros strata suggest that thermal adaptability played a major role
