Productos de investigación

Permanent URI for this collectionhttps://hdl.handle.net/20.500.12585/8849

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Ecotoxicological assessment of perchlorate using in vitro and in vivo assays
(Springer Verlag, 2018) Acevedo Barrios, Rosa; Sabater-Marco C.; Olivero-Verbel J.
Perchlorate is an inorganic ion widespread in the environment, generated as a natural and anthropogenic pollutant, with known endocrine disruption properties in the thyroid gland. Nonetheless, there are few reports of its ecotoxicological impact on wildlife. The aim of this study was to evaluate the adverse effects of KClO4 exposure on different cell lines, HEK, N2a, and 3T3, as well as in ecological models such as Vibrio fischeri, Pseudokirchneriella subcapitata, Daphnia magna, and Eisenia fetida. Perchlorate exhibited similar toxicity against tested cell lines, with LC50 values of 19, 15, and 19 mM for HEK, N2a, and 3T3, respectively; whereas in V. fischeri, the toxicity, examined as bioluminescence reduction, was considerably lower (EC50 = 715 mM). The survival of the freshwater algae P. subcapitata was significatively impaired by perchlorate (LC50 = 72 mM), and its effect on the lethality in the crustacean D. magna was prominent (LC50 = 5 mM). For the earthworm E. fetida, the LC50 was 56 mM in soil. In this organism, perchlorate induced avoidance behavior, weight loss, and decreased egg production and hatchling, as well as morphological and histopathological effects, such as malformations, dwarfism, and necrosis. In conclusion, perchlorate toxicity varies according to the species, although E. fetida is a sensitive model to generate information regarding the toxicological impact of KClO4 on biota. © 2018, Springer-Verlag GmbH Germany, part of Springer Nature.
In silico antibacterial activity modeling based on the TOMOCOMD-CARDD approach
(Sociedade Brasileira de Quimica, 2015) Castillo-Garit, J.A.; Marrero-Ponce, Y.; Barigye, S.J.; Medina-Marrero, R.; Bernal, M.G.; De La Vega, J.M.G.; Torrens, F.; Arán, V.J.; Pérez-Giménez, F.; García-Domenech, R.; Acevedo Barrios, Rosa
In the recent times, the race to cope with the increasing multidrug resistance of pathogenic bacteria has lost much of its momentum and health professionals are grasping for solutions to deal with the unprecedented resistance levels. As a result, there is an urgent need for a concerted effort towards the development of new antimicrobial drugs to stay ahead in the fight against the ever adapting bacteria. In the present report, antibacterial classification functions (models) based on the topological molecular computational design-computer aided "rational" drug design (TOMOCOMD-CARDD) atom-based non-stochastic and stochastic bilinear indices are presented. These models were built using the linear discriminant analysis (LDA) method over a balanced chemical compounds dataset of 2230 molecular structures, with a diverse range of structural and molecular mechanism modes. The results of this study indicated that the non-stochastic and stochastic bilinear indices provided excellent classification of the chemical compounds (with accuracies of 86.31% and 84.92%, respectively, in the training set). These models were further externally validated yielding correct classification percentages of 86.55% and 87.91% for the non-stochastic and stochastic bilinear models, respectively. Additionally, the obtained models were compared with those reported in the literature and demonstrated comparable results, although the latter were built over much smaller datasets and with much higher degrees of freedom. Finally, simulated ligand-based virtual screening of 116 compounds, recently identified as potential antibacterials, was performed yielding 86.21% and 83.62% of correct classification, respectively, and thus demonstrating the utility of the obtained TOMOCOMD-CARDD models in the search of novel compounds with desirable antibacterial activity. © 2015 Sociedade Brasileira de Química.
Perchlorate Contamination: Sources, Effects, and Technologies for Remediation
(2021-12-10) Acevedo Barrios, Rosa; Olivero-Verbel, Jesus
Perchlorate is a persistent pollutant, generated via natural and anthropo genic processes, that possesses a high potential for endocrine disruption in humans and biota. It inhibits iodine fixation, a major reason for eliminating this pollutant from ecosystems. Remediation of perchlorate can be achieved with various physi cochemical treatments, especially at low concentrations. However, microbiological approaches using microorganisms, such as those from the genera Dechloromonas, Serratia, Propionivibrio, Wolinella, and Azospirillum, are promising when perchlo rate pollution is extensive. Perchlorate-reducing bacteria, isolated from harsh Perchlorate is a persistent pollutant, generated via natural and anthropo genic processes, that possesses a high potential for endocrine disruption in humans and biota. It inhibits iodine fixation, a major reason for eliminating this pollutant from ecosystems. Remediation of perchlorate can be achieved with various physi cochemical treatments, especially at low concentrations. However, microbiological approaches using microorganisms, such as those from the genera Dechloromonas, Serratia, Propionivibrio, Wolinella, and Azospirillum, are promising when perchlo rate pollution is extensive. Perchlorate-reducing bacteria, isolated from harsh
Perchlorate-reducing bacteria from Antarctic marine sediments
(2022-08-08) Acevedo Barrios, Rosa; Rubiano‑Labrador, Carolina; Navarro‑Narvaez, Dhania; Escobar‑Galarza, Johana; González, Diana; Mira, Stephanie; Moreno, Dayana; Contreras, Aura; Miranda‑Castro, Wendy
Perchlorate is a contaminant that can persist in groundwater and soil, and is frequently detected in diferent ecosystems at concentrations relevant to human health. This study isolated and characterised halotolerant bacteria that can potentially perform perchlorate reduction. Bacterial microorganisms were isolated from marine sediments on Deception, Horseshoe and Half Moon Islands of Antarctica. The results of the 16S ribosomal RNA (rRNA) gene sequence analysis indicated that the isolates were phylogenetically related to Psychrobacter cryohalolentis, Psychrobacter urativorans, Idiomarina loihiensis, Psychrobacter nivimaris, Sporosarcina aquimarina and Pseudomonas lactis. The isolates grew at a sodium chloride concentration of up to 30% and a perchlorate concentration of up to 10,000 mg/L, which showed their ability to survive in saline conditions and high perchlorate concentrations. Between 21.6 and 40% of perchlorate was degraded by the isolated bacteria. P. cryohalolentis and P. urativorans degraded 30.3% and 32.6% of perchlorate, respectively. I. loihiensis degraded 40% of perchlorate, and P. nivimaris, S. aquimarina and P. lactis degraded 22%, 21.8% and 21.6% of perchlorate, respectively. I. loihiensis had the highest reduction in perchlorate, whereas P. lactis had the lowest reduction. This study is signifcant as it is the frst fnding of P. cryohalolentis and. P. lactis on the Antarctic continent. In conclusion, these bacteria isolated from marine sediments on Antarctica ofer promising resources for the bioremediation of perchlorate contamination due to their ability to degrade perchlorate, showing their potential use as a biological system to reduce perchlorate in highsalinity ecosystems.
Perchlorate-Reducing Bacteria from Hypersaline Soils of the Colombian Caribbean
(Hindawi Limited, 2019) Acevedo Barrios, Rosa; Bertel-Sevilla, A.; Alonso-Molina, J.; Olivero-Verbel, J.
Perchlorate (ClO 4 - ) has several industrial applications and is frequently detected in environmental matrices at relevant concentrations to human health. Currently, perchlorate-degrading bacteria are promising strategies for bioremediation in polluted sites. The aim of this study was to isolate and characterize halophilic bacteria with the potential for perchlorate reduction. Ten bacterial strains were isolated from soils of Galerazamba-Bolivar, Manaure-Guajira, and Salamanca Island-Magdalena, Colombia. Isolates grew at concentrations up to 30% sodium chloride. The isolates tolerated pH variations ranging from 6.5 to 12.0 and perchlorate concentrations up to 10000 mg/L. Perchlorate was degraded by these bacteria on percentages between 25 and 10. 16S rRNA gene sequence analysis indicated that the strains were phylogenetically related to Vibrio, Bacillus, Salinovibrio, Staphylococcus, and Nesiotobacter genera. In conclusion, halophilic-isolated bacteria from hypersaline soils of the Colombian Caribbean are promising resources for the bioremediation of perchlorate contamination. © 2019 Rosa Acevedo-Barrios et al.
QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents
(Taylor and Francis Ltd., 2015) Medina Marrero R.; Marrero-Ponce Y.; Barigye S.J.; Echeverría Díaz Y.; Acevedo Barrios, Rosa; Casañola-Martín G.M.; García Bernal M.; Torrens, F.; Pérez-Giménez F.
The QuBiLs-MAS approach is used for the in silico modelling of the antifungal activity of organic molecules. To this effect, non-stochastic (NS) and simple-stochastic (SS) atom-based quadratic indices are used to codify chemical information for a comprehensive dataset of 2478 compounds having a great structural variability, with 1087 of them being antifungal agents, covering the broadest antifungal mechanisms of action known so far. The NS and SS index-based antifungal activity classification models obtained using linear discriminant analysis (LDA) yield correct classification percentages of 90.73% and 92.47%, respectively, for the training set. Additionally, these models are able to correctly classify 92.16% and 87.56% of 706 compounds in an external test set. A comparison of the statistical parameters of the QuBiLs-MAS LDA-based models with those for models reported in the literature reveals comparable to superior performance, although the latter were built over much smaller and less diverse datasets, representing fewer mechanisms of action. It may therefore be inferred that the QuBiLs-MAS method constitutes a valuable tool useful in the design and/or selection of new and broad spectrum agents against life-threatening fungal infections. © 2015 Taylor & Francis.
Studies of Endocrine Disruptors: Nonylphenol and Isomers in Biological Models
(2023-04-14) De la Parra Guerra, Ana; Acevedo Barrios, Rosa
Abstract Certain emerging pollutants are among the most widely used chemicals globally, causing widespread concern in relation to their use in products devoted to cleaniness and asepsis. Nonylphenol ethoxylate (NPEOn) is one such contaminant, along with its degradation product, nonylphenol, an active ingredient presents in nonionic surfactants used as herbicides, cosmetics, paints, plastics, disinfectants, and detergents. These chemicals and their metabolites are commonly found in environmental matrices. Nonylphenol and NPEOn, used, are particularly concerning, given their role as endocrine disruptors chemical and possible neurotoxic effects recorded in several biological models, primarily aquatic organisms. Limiting and detecting these compounds remain of paramount importance. The objective of the present review was to evaluate the toxic effects of nonylphenol and NPEOn in different biological models. Environ Toxicol Chem 2023;00:1–12. © 2023 SETAC

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