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1.
J Appl Microbiol ; 134(7)2023 Jul 04.
Artigo em Inglês | MEDLINE | ID: mdl-37391364

RESUMO

AIMS: To investigate the occurrence of carbapenem-resistant Klebsiella pneumoniae (CRKP) and their clonal relationships from hospital and municipal wastewater treatment plants (WWTPs). METHODS AND RESULTS: Eighteen Kl. pneumoniae strains recovered from three WWTPs were identified by matrix-assisted laser desorption-ionization-time of flight (MALDI-TOF). The antimicrobial susceptibility were evaluated by disk-diffusion and the carbapenemases production by Carbapenembac®. The carbapenemases genes were investigated by real-time PCR and the clonal relationship through multilocus sequence typing (MLST). Thirty nine % (7/18) of isolates were classified as multidrug-resistant (MDR), 61.1% (11/18) extensively drug-resistant (XDR), and 83.3% (15/18) showed carbapenemase activity. Three carbapenemase-encoding genes were found, blaKPC (55%), blaNDM (27.8%) and blaOXA-370 (11.1%) as well five sequencing types ST11, ST37, ST147, ST244, and ST281. ST11 and ST244, sharing four alleles were grouped into clonal complex 11 (CC11). CONCLUSIONS: Our results show the importance of monitoring antimicrobial resistance in WWTPs effluents to minimize the risk of spreading bacterial load and ARGs in aquatic ecosystems, using advanced treatment technologies to reduce these emerging pollutants at WWTPs.


Assuntos
Anti-Infecciosos , Klebsiella pneumoniae , Klebsiella pneumoniae/genética , Águas Residuárias , Tipagem de Sequências Multilocus , Brasil , Ecossistema , beta-Lactamases/genética , Proteínas de Bactérias/genética , Antibacterianos/farmacologia , Testes de Sensibilidade Microbiana
2.
J Appl Microbiol ; 134(9)2023 Sep 05.
Artigo em Inglês | MEDLINE | ID: mdl-37715335

RESUMO

AIMS: This study investigated the phylogenetic relatedness of multidrug-resistant Elizabethkingia anophelis recovered from an industrial wastewater treatment plant (WWTPi). METHODS AND RESULTS: The wastewater samples were plated in brain heart infusion agar (4 mg/L ceftazidime, 8 mg/L meropenem, and 2 mg/L polimixin). Four isolates recovered from four stages of WWTPi (influent, aeration, decantation, and treated effluent) were identified and evaluated of susceptibility profiles in the VITEK 2 system. These strains identified as E. meningoseptica were confirmed to be E. anophelis by whole genomic sequencing (Miseq-Illumina) and showed antimicrobial resistance genes of ß-lactams, aminoglycosides, and tetracycline's classes. The ribosomal multilocus sequence typing showed that they belong to the rST 65620 together with clinical strains. The phylogenomic tree revealed the similarity of our strains to those belonging to sublineage 11 and the single nucleotide polymorphism analysis confirmed that they belong to a single clade. CONCLUSIONS: To the best of our knowledge, this is the first study reporting the persistence of multidrug-resistant E. anophelis sublineage 11 along the wastewater treatment.


Assuntos
Infecções por Flavobacteriaceae , Flavobacteriaceae , Humanos , Filogenia , Genoma Bacteriano , Antibacterianos/farmacologia
3.
Curr Microbiol ; 80(9): 313, 2023 Aug 05.
Artigo em Inglês | MEDLINE | ID: mdl-37542533

RESUMO

Enterococcus faecalis has emerged as an important opportunistic pathogen due to its increasing resistance to antimicrobials, mainly to vancomycin, which leads substantial cases of therapeutic failures. Wastewater treatment plants (WWTP), in turn, are considered hotpots in the spread of antimicrobial resistance according to One Health perspective. In this study, we present the first report of a vancomycin-resistant E. faecalis strain recovered from treated effluent in Brazil. For this purpose, the whole-genome sequencing (WGS) was carried out aiming to elucidate its molecular mechanisms of antimicrobial resistance and its phylogenetic relationships amongst strains from other sources and countries. According to Multilocus Sequence Typing (MLST) analysis this strain belongs to ST21. The WGS pointed the presence of vanA operon, multiple antibiotic resistance and virulence genes, and a significant pathogenic potential for humans. The phylogenomic analysis of E. faecalis 6805 was performed with ST21 representatives from the PubMLST database, including the E. faecalis IE81 strain from clinical sample in Brazil, which had its genome sequenced in this study. Our results demonstrated a strain showing resistance to vancomycin in treated effluent. To the best of our knowledge, this is an unprecedented report of vanA-carrying E. faecalis ST21. Furthermore, it is the first description of a vanA-harboring strain of this species from environmental sample in Brazil. Our data highlight the role of WWTP in the spread of AMR, since these environments are favorable for the selection of multidrug-resistant pathogens and the treated effluents, carrying antibiotic resistance genes, are directed to receiving water bodies.


Assuntos
Enterococcus faecium , Infecções por Bactérias Gram-Positivas , Humanos , Enterococcus faecalis/genética , Vancomicina , Tipagem de Sequências Multilocus , Brasil , Filogenia , Testes de Sensibilidade Microbiana , Antibacterianos/farmacologia , Resistência a Vancomicina/genética
4.
J Water Health ; 21(5): 653-662, 2023 May.
Artigo em Inglês | MEDLINE | ID: mdl-37254912

RESUMO

Wastewater-based epidemiology can be a complementary approach for monitoring SARS-CoV-2 prevalence, diversity, and geographic distribution. It is a complementary approach regarding its prevalence and diversity, and geographic distribution. The study aimed to evaluate the genetic diversity of SARS-CoV-2 in two wastewater treatment plants (WWTPs) in Rio de Janeiro, Brazil. Samples were collected over a period of January to December 2021 and were concentrated with PEG8000 and the presence of SARS-CoV-2 was detected using E and N1 genes. Partial sequencing of the SARS-CoV-2 genomes resulted in the identification of variants of concern and variants of interest throughout the collection period. It was possible to identify the Mu, Delta, Gamma and Omicron variants in WWTP1; on the contrary, no variants were observed in WWTP2. To the best of our knowledge, we detected the variant Mu (B.1.621) containing characteristic mutations (S:E484K, S:N501Y) from WWTP, for the first time, in Brazil. Another Mu variant detected from clinical surveillance was announced one month after our finding. The detection of SARS-CoV-2 in wastewater can serve as a tool to monitor the prevalence and epidemiology in each community, helping to understand the spread of the virus among the population.


Assuntos
COVID-19 , Águas Residuárias , Humanos , Brasil/epidemiologia , Metagenômica , SARS-CoV-2/genética , COVID-19/epidemiologia
5.
Mycoses ; 65(12): 1179-1187, 2022 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-35971917

RESUMO

BACKGROUND: The Americas are home to biologically and clinically diverse endemic fungi, including Blastomyces, Coccidioides, Emergomyces, Histoplasma, Paracoccidioides and Sporothrix. In endemic areas with high risk of infection, these fungal pathogens represent an important public health problem. OBJECTIVES: This report aims to summarise the main findings of the regional analysis carried out on the status of the endemic mycoses of the Americas, done at the first International Meeting on Endemic Mycoses of the Americas (IMEMA). METHODS: A regional analysis for the Americas was done, the 27 territories were grouped into nine regions. A SWOT analysis was done. RESULTS: All territories reported availability of microscopy. Seventy percent of territories reported antibody testing, 67% of territories reported availability of Histoplasma antigen testing. None of the territories reported the use of (1-3)-ß-d-glucan. Fifty two percent of territories reported the availability of PCR testing in reference centres (mostly for histoplasmosis). Most of the territories reported access to medications such as trimethoprim-sulfamethoxazole, itraconazole, voriconazole and amphotericin B (AMB) deoxycholate. Many countries had limited access to liposomal formulation of AMB and newer azoles, such as posaconazole and isavuconazole. Surveillance of these fungal diseases was minimal. CONCLUSIONS: A consensus emerged among meeting participants, this group concluded that endemic mycoses are neglected diseases, and due to their severity and lack of resources, the improvement of diagnosis, treatment and surveillance is needed.


Assuntos
Histoplasmose , Micoses , Humanos , Antifúngicos/uso terapêutico , Micoses/diagnóstico , Micoses/tratamento farmacológico , Micoses/epidemiologia , Itraconazol/uso terapêutico , Histoplasma , Histoplasmose/diagnóstico , Histoplasmose/tratamento farmacológico , Histoplasmose/epidemiologia , América/epidemiologia
6.
PLoS Pathog ; 15(11): e1008014, 2019 11.
Artigo em Inglês | MEDLINE | ID: mdl-31703116

RESUMO

Clostridium perfringens epsilon toxin (ETX) is responsible for causing the economically devastating disease, enterotoxaemia, in livestock. It is well accepted that ETX causes blood brain barrier (BBB) permeability, however the mechanisms involved in this process are not well understood. Using in vivo and in vitro methods, we determined that ETX causes BBB permeability in mice by increasing caveolae-dependent transcytosis in brain endothelial cells. When mice are intravenously injected with ETX, robust ETX binding is observed in the microvasculature of the central nervous system (CNS) with limited to no binding observed in the vasculature of peripheral organs, indicating that ETX specifically targets CNS endothelial cells. ETX binding to CNS microvasculature is dependent on MAL expression, as ETX binding to CNS microvasculature of MAL-deficient mice was not detected. ETX treatment also induces extravasation of molecular tracers including 376Da fluorescein salt, 60kDA serum albumin, 70kDa dextran, and 155kDA IgG. Importantly, ETX-induced BBB permeability requires expression of both MAL and caveolin-1, as mice deficient in MAL or caveolin-1 did not exhibit ETX-induced BBB permeability. Examination of primary murine brain endothelial cells revealed an increase in caveolae in ETX-treated cells, resulting in dynamin and lipid raft-dependent vacuolation without cell death. ETX-treatment also results in a rapid loss of EEA1 positive early endosomes and accumulation of large, RAB7-positive late endosomes and multivesicular bodies. Based on these results, we hypothesize that ETX binds to MAL on the apical surface of brain endothelial cells, causing recruitment of caveolin-1, triggering caveolae formation and internalization. Internalized caveolae fuse with early endosomes which traffic to late endosomes and multivesicular bodies. We believe that these multivesicular bodies fuse basally, releasing their contents into the brain parenchyma.


Assuntos
Toxinas Bacterianas/farmacologia , Barreira Hematoencefálica/fisiopatologia , Encéfalo/fisiopatologia , Caveolina 1/fisiologia , Permeabilidade da Membrana Celular/fisiologia , Proteínas Proteolipídicas Associadas a Linfócitos e Mielina/fisiologia , Transcitose/efeitos dos fármacos , Animais , Barreira Hematoencefálica/efeitos dos fármacos , Encéfalo/efeitos dos fármacos , Cavéolas/efeitos dos fármacos , Cavéolas/metabolismo , Permeabilidade da Membrana Celular/efeitos dos fármacos , Camundongos , Camundongos Endogâmicos C57BL , Camundongos Knockout
7.
Phys Chem Chem Phys ; 23(46): 26366-26375, 2021 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-34792054

RESUMO

The roles of structural factors and of electrostatic interactions with the environment on the outcome of thiol-disulfide exchange reactions were investigated in a mutated immunoglobulin domain (I27*) under mechanical stress. An extensive ensemble of molecular dynamics trajectories was generated by means of QM/MM simulations for a total sampling of 5.7 µs. A significant number of thiol-disulfide exchanges were observed, and the Cys32 thiolate preferred to attack Cys55 over Cys24, in agreement with previous experimental and computational studies. The structural features as well as electronic structures of the thiol-disulfide system along the reaction were analyzed, as were the electrostatic interactions with the environment. The previous findings of better accessibility of Cys55 were confirmed. Additionally, the reaction was found to be directed by the electrostatic interactions of the involved sulfur atoms with the molecular environment. The relationships of atomic charges, which stem from the electrostatic interactions, lead to the kinetic preference of the attack on Cys55. Further, QM/MM metadynamics simulations of thiol-disulfide exchange in a small model system with varied artificial external electric potentials revealed changes in reaction kinetics of the same magnitude as in I27*. Therefore, the electrostatic interactions are confirmed to play a role in the regioselectivity of the thiol-disulfide exchange reactions in the protein.


Assuntos
Dissulfetos/química , Simulação de Dinâmica Molecular , Proteínas/química , Compostos de Sulfidrila/química , Isomerismo , Cinética , Teoria Quântica , Eletricidade Estática
8.
J Craniofac Surg ; 32(6): 1999-2004, 2021 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-33534327

RESUMO

BACKGROUND: The purpose of this study was to compare 2 techniques used for primary muscular repair and perform a systematic review of the literature to evaluate the effects of radical intravelar veloplasty (IVV) on nonsyndromic unilateral cleft lip and palate. METHODS: This is an ambispective study between 2 groups of patients with unilateral cleft lip and palate who were operated using a radical and conservative form of IVV in Lima Peru. Data collection was accomplished by evaluation of speech development and middle ear function of the patients. A systematic review of the literature for studies published until June 2020 to evaluate the effect using the radical IVV in patients with cleft lip and palate. RESULTS: Our comparative study did not find statistically significant differences in speech development between the studied techniques for unilateral cleft palate repair. Increased number of ear tube placements have been observed in the group treated with radical form of IVV. After systematic literature searching, 10 identified studies were qualified for the final analysis, which included 1367 patients. The overall study quality according to Oxford CEBM and GRADE scale was low. CONCLUSIONS: The results arising from this study provides statistical evidence that one technique let us obtain better speech outcomes. A technique with conservative IVV has statistical significant fewer rate of middle ear disorders after primary cleft palate repair. Based on available scientific evidence, definitive conclusions about the effectiveness of radical IVV on velopharyngeal and middle ear function cannot be drawn.


Assuntos
Fenda Labial , Fissura Palatina , Insuficiência Velofaríngea , Fenda Labial/cirurgia , Fissura Palatina/cirurgia , Humanos , Palato Mole , Resultado do Tratamento
9.
J Public Health Manag Pract ; 27(Suppl 3): S159-S163, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-33785689

RESUMO

The Flu-FIT program aims to increase colorectal cancer screening rates by offering a home fecal immunochemical test (FIT) at the time of annual influenza immunization. This program was piloted at a VA campus in New Jersey during the 2018-2019 influenza season, with a 9% increase in colorectal cancer screening rates. In the 2019-2020 season, the program was implemented in 6 primary care teams; 6 additional teams maintaining standard of care served as a comparison group. A total of 816 patients aged 50 to 75 years were eligible for participation; 509 patients were available for analysis, 242 in the Flu-FIT group and 267 in the comparison group. The Flu-FIT group patients were 2.4 times more likely to accept FIT kits (95% confidence interval: 1.6-3.6, P = .001). The colorectal cancer screening rates increased 77.0% to 81.9% in the Flu-FIT group and 77.0% to 79.8% in the comparison group (P > .05).


Assuntos
Neoplasias Colorretais , Melhoria de Qualidade , Neoplasias Colorretais/diagnóstico , Detecção Precoce de Câncer , Humanos , Programas de Rastreamento , Sangue Oculto , Equipe de Assistência ao Paciente
10.
Infect Immun ; 83(11): 4404-15, 2015 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-26351279

RESUMO

Induction of adaptive immunity leads to the establishment of immunological memory; however, how innate immunity regulates memory T cell function remains obscure. Here we show a previously undefined mechanism in which innate and adaptive immunity are linked by TIR domain-containing adapter-inducing beta interferon (TRIF) during establishment and reactivation of memory T cells against Gram-negative enteropathogens. Absence of TRIF in macrophages (Mϕs) but not dendritic cells led to a predominant generation of CD4(+) central memory T cells that express IL-17 during enteric bacterial infection in mice. TRIF-dependent type I interferon (IFN) signaling in T cells was essential to Th1 lineage differentiation and reactivation of memory T cells. TRIF activated memory T cells to facilitate local neutrophil influx and enhance bacterial elimination. These results highlight the importance of TRIF as a mediator of the innate and adaptive immune interactions in achieving the protective properties of memory immunity against Gram-negative bacteria and suggest TRIF as a potential therapeutic target.


Assuntos
Proteínas Adaptadoras de Transporte Vesicular/imunologia , Memória Imunológica , Yersiniose/imunologia , Yersinia enterocolitica/imunologia , Proteínas Adaptadoras de Transporte Vesicular/genética , Animais , Células Dendríticas/imunologia , Humanos , Interferon gama/imunologia , Interleucina-17/genética , Interleucina-17/imunologia , Macrófagos/imunologia , Masculino , Camundongos , Camundongos Endogâmicos C57BL , Linfócitos T/imunologia , Yersiniose/genética , Yersiniose/microbiologia , Yersinia enterocolitica/genética
11.
J Nat Prod ; 77(11): 2404-9, 2014 Nov 26.
Artigo em Inglês | MEDLINE | ID: mdl-25402632

RESUMO

The new 2-acetyl-8-methoxynaphthol (1) and five new "dimeric" napthopyranones, karwinaphthopyranones A1 and A2 (2 and 3) and karwinaphthopyranones B1-B3 (4-6), possessing a methoxy group at C-5', were isolated together with four other known compounds from the dried fruits of Karwinskia parvifolia. The structures of compounds 2-6 were determined by spectroscopic data interpretation. Cell culture assays showed that some of these compounds possess antiproliferative activities in representative human cancer cell lines, with half-maximal growth inhibitory concentrations in the micromolar range.


Assuntos
Antineoplásicos Fitogênicos/isolamento & purificação , Antineoplásicos Fitogênicos/farmacologia , Karwinskia/química , Naftóis/isolamento & purificação , Naftóis/farmacologia , Pironas/isolamento & purificação , Pironas/farmacologia , Antineoplásicos Fitogênicos/química , Ensaios de Seleção de Medicamentos Antitumorais , Frutas/química , Células HCT116 , Células Hep G2 , Humanos , Estrutura Molecular , Naftóis/química , Pironas/química
12.
Methods Mol Biol ; 2759: 193-198, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38285151

RESUMO

The Guadalupe cypress (Cupressus guadalupensis S. Watson) is an endangered species included in the list of the NOM-059-SEMARNAT-2010. The presence of wild goats in the habitat has been the greatest threat to the propagation and survival of this species. Therefore, there is a need to generate propagation protocols that facilitate the regeneration of the species. Plant tissue culture offers various possibilities that can facilitate the regeneration of species under some risk. Temporary immersion systems have proven to be an option with various advantages in plant tissue culture, such as increasing the number of seedlings generated and reducing production times, compared to semisolid media. The objective of this chapter is to describe a protocol to propagate Guadalupe cypress tissues in a RITA® temporary immersion system.


Assuntos
Cupressus , Animais , Imersão , Cabras , Reprodução , Plântula
13.
PeerJ ; 11: e16205, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37842070

RESUMO

Background: Land use change is a key catalyst of global biodiversity loss and ecosystem degradation. Deforestation and conversion of natural habitats to agricultural or urban areas can profoundly disrupt plant-flower visitor interactions by altering their abundances and distribution. Yet, specific studies analyzing the effects of land use change on the structure of networks of the interactions between particular groups of flower visitors and their plants are still scarce. Here, we aimed to analyze how converting native habitats affects the species composition of butterfly communities and their plants, and whether this, in turn, leads to changes in the structure of interaction networks in the modified habitats. Methods: We performed bi-monthly censuses for a year to record plant-butterfly interactions and assess species diversity across three habitat types, reflecting a land-use change gradient. From original native juniper forest to urban and agricultural zones in central Mexico, one site per land use type was surveyed. Interactions were summarized in matrices on which we calculated network descriptors: connectance, nestedness and modularity. Results: We found highest butterfly diversity in native forest, with the most unique species (i.e., species not shared with the other two sites). Agricultural and urban sites had similar diversity, yet the urban site featured more unique species. The plant species richness was highest in the urban site, and the native forest site had the lowest plant species richness, with most of the plants being unique to this site. Butterfly and plant compositions contrasted most between native forest and modified sites. Network analysis showed differences between sites in the mean number of links and interactions. The urban network surpassed agriculture and native forest networks in links, while the native forest network had more interactions than the agriculture and urban networks. Native plants had more interactions than alien species. All networks exhibited low connectance and significant nestedness and modularity, with the urban network featuring the most modules (i.e., 10 modules). Conclusions: Converting native habitats to urban or agricultural areas reshapes species composition, diversity and interaction network structure for butterfly communities and plants. The urban network showed more links and modules, suggesting intricate urban ecosystems due to diverse species, enhanced resources, and ecological niches encouraging interactions and coexistence. These findings emphasize the impacts of land use change on plant-butterfly interactions and the structure of their interaction networks.


Assuntos
Borboletas , Ecossistema , Animais , México , Biodiversidade , Florestas , Plantas
14.
Arch Cardiol Mex ; 92(4): 502-512, 2022 10 21.
Artigo em Espanhol | MEDLINE | ID: mdl-35358882

RESUMO

Abstract: Cardiovascular disease and depression are considered public health problems, depression is a risk factor for patients with heart failure (HF) for its clinical implications. The objective of this study was to describe two modalities of psychotherapeutic interventions in the approach to depression in patients with HF. Search methods: We searched the specialized databases MEDLINE, PubMed, PsycINFO, Web of Science, CINAHL and Cochrane Library from 2010 to 2020. Selection criteria. Articles were selected by title and abstract., published in the last 10 years, written in Spanish or English and repeated registrations were deleted. Obtaining the data: Three authors collected information from the studies being documented. Main results: We included 4 clinical studies with 911 patients, were conducted in 4 countries in the last 10 years and implemented different methods of digital interventions and home visits, the effects of these treatments have been statistically significant to reduce self-reported depression scores in patients with HF who received psychotherapeutic intervention in any of these modalities compared to those patients who only received a treatment. Conclusions: Due to the limited number of studies and different methods of intervention, a standard treatment of HF depression in these care formats is not identified, so more research in this field of study is recommended.


Resumen: Las enfermedades cardiovasculares y la depresión se consideran problemas de salud pública, la depresión es un factor de riesgo para pacientes con insuficiencia cardiaca (IC) por sus implicaciones clínicas. El objetivo de este estudio fue describir dos modalidades de intervenciones psicoterapéuticas en el abordaje de la depresión en pacientes con IC. Métodos de búsqueda: Se realizaron búsquedas en las bases especializadas MEDLINE, PubMed, PsycINFO, Web of Science, CINAHL y Cochrane Library de 2010 a 2020. Criterios de selección: Se seleccionaron los artículos por título y resumen, publicados en los últimos 10 años, escritos en castellano o inglés y se eliminaron los registros repetidos. Obtención de los datos: Tres autores recopilaron la información de los estudios que se documentan. Resultados principales: Se incluyeron 4 estudios clínicos con 911 pacientes, se realizaron en 4 países en los últimos 10 años y se implementaron diferentes métodos de intervenciones digitales y visitas domiciliarias, los efectos de estos tratamientos han sido estadísticamente significativos para reducir los puntajes de depresión autoinformada en pacientes con IC que recibieron la intervención psicoterapéutica en alguna de estas modalidades a comparación de aquellos pacientes que solo recibieron un tratamiento estándar. Conclusiones: Debido al número limitado de estudios y de los diferentes métodos de intervención no se identifica un tratamiento estándar de la depresión en IC en estos formatos de atención, por lo que se recomienda más investigación en este campo de estudio.


Assuntos
Depressão , Insuficiência Cardíaca , Humanos , Depressão/terapia , Insuficiência Cardíaca/complicações , Insuficiência Cardíaca/terapia , Intervenção Psicossocial
15.
J Chem Theory Comput ; 18(2): 1213-1226, 2022 Feb 08.
Artigo em Inglês | MEDLINE | ID: mdl-34978438

RESUMO

Semiempirical methods like density functional tight-binding (DFTB) allow extensive phase space sampling, making it possible to generate free energy surfaces of complex reactions in condensed-phase environments. Such a high efficiency often comes at the cost of reduced accuracy, which may be improved by developing a specific reaction parametrization (SRP) for the particular molecular system. Thiol-disulfide exchange is a nucleophilic substitution reaction that occurs in a large class of proteins. Its proper description requires a high-level ab initio method, while DFT-GAA and hybrid functionals were shown to be inadequate, and so is DFTB due to its DFT-GGA descent. We develop an SRP for thiol-disulfide exchange based on an artificial neural network (ANN) implementation in the DFTB+ software and compare its performance to that of a standard SRP approach applied to DFTB. As an application, we use both new DFTB-SRP as components of a QM/MM scheme to investigate thiol-disulfide exchange in two molecular complexes: a solvated model system and a blood protein. Demonstrating the strengths of the methodology, highly accurate free energy surfaces are generated at a low cost, as the augmentation of DFTB with an ANN only adds a small computational overhead.

16.
Sci Rep ; 12(1): 19050, 2022 11 09.
Artigo em Inglês | MEDLINE | ID: mdl-36351942

RESUMO

Antibiotic resistance genes (ARGs) are widespread in the environment due to the overuse of antibiotics and other pollutants, posing a threat to human and animal health. In this study, we evaluated antimicrobial residues, bacterial diversity and ARGs in two important watersheds, Guandu and São João, that supply drinking water to Rio de Janeiro city, Brazil. In addition, tap water samples were collected from three different cities in Rio de Janeiro State, including the metropolitan area of Rio de Janeiro city. Clarithromycin, sulfamethoxazole and azithromycin were found in untreated water and drinking water in all samples. A greater abundance of Proteobacteria was observed in Guandu and São João watersheds, with most of the sequences belonging to the Gammaproteobacteria class. A plasmidome-focused metagenomics approach revealed 4881 (Guandu), 3705 (São João) and 3385 (drinking water) ARGs mainly associated with efflux systems. The genes encoding metallo-ß-lactamase enzymes (blaAIM, blaGIM, blaIMP, and blaVIM) were detected in the two watersheds and in drinking water samples. Moreover, we demonstrated the presence of the colistin resistance genes mcr-3 and mcr-4 (both watersheds) and mcr-9 (drinking water and Guandu) for the first time in Brazil. Our data emphasize the importance of introducing measures to reduce the disposal of antibiotics and other pollutants capable of promoting the occurrence and spread of the microbial resistome on aquatic environments and predicting possible negative impacts on human health.


Assuntos
Água Potável , Poluentes Ambientais , Microbiota , Animais , Humanos , Água Potável/microbiologia , Brasil , Antibacterianos/farmacologia , Genes Bacterianos
17.
Sci Total Environ ; 775: 144716, 2021 Jun 25.
Artigo em Inglês | MEDLINE | ID: mdl-33631559

RESUMO

The global aquaculture industry has grown exponentially in recent years using to control of infections and diseases, a variety of veterinary drugs (VMP) are used, including antibiotics, antifungals and antiparasitics, which have different routes of emission, environmental persistence and side effects to aquatic organisms, becoming one of the main concerns in its use of veterinary drugs (VMP) and its potential toxicological impact on the environment, in this context, Chile is considered one of the main salmon producers. Ecological risk assessment of active principles used infreshwater fish farms worldwide and in Chile were investigated. We recollect a physical - chemical properties of active principles used by fish farms and we could estimate the relative hazard a priori. Later active principles grouped as antibiotics (n = 6), antiparasitics (n = 5), anesthetics (n = 3), and disinfectants (n = 7) were assessed using a mass balance model based on fugacity was developed for each active principle under treatments via immersion and food administration in fish, while a volumetric model for disinfectants and sodium chloride was used for estimating the predicted environmental concentration (PEC), under a real smolt farming scenario in fish farms. Ecotoxicological data were collected from open literature to predict the no-effect concentration (PNEC). The ecological risk assessment was characterized using a risk quotient (RQ = PEC/PNEC) based in two assessment tiers. Results revealed that 12 active ingredients showed a high risk (RQ ≥ 1), thus indicating that adverse effects could occur and further investigation with measured concentrations in the field are required to reduce exposure in surface waters.


Assuntos
Poluentes Químicos da Água , Animais , Aquicultura , Chile , Pesqueiros , Água Doce , Medição de Risco , Poluentes Químicos da Água/análise , Poluentes Químicos da Água/toxicidade
18.
BMJ Open ; 11(7): e053036, 2021 07 07.
Artigo em Inglês | MEDLINE | ID: mdl-34234001

RESUMO

OBJECTIVE: To investigate maternal immunoglobulins' (IgM, IgG) response to SARS-CoV-2 infection during pregnancy and IgG transplacental transfer, to characterise neonatal antibody response to SARS-CoV-2 infection, and to longitudinally follow actively and passively acquired antibodies in infants. DESIGN: A prospective observational study. SETTING: Public healthcare system in Santa Clara County (California, USA). PARTICIPANTS: Women with symptomatic or asymptomatic SARS-CoV-2 infection during pregnancy and their infants were enrolled between 15 April 2020 and 31 March 2021. OUTCOMES: SARS-CoV-2 serology analyses in the cord and maternal blood at delivery and longitudinally in infant blood between birth and 28 weeks of life. RESULTS: Of 145 mothers who tested positive for SARS-CoV-2 during pregnancy, 86 had symptomatic infections: 78 with mild-moderate symptoms, and 8 with severe-critical symptoms. The seropositivity rates of the mothers at delivery was 65% (95% CI 0.56% to 0.73%) and the cord blood was 58% (95% CI 0.49% to 0.66%). IgG levels significantly correlated between the maternal and cord blood (Rs=0.93, p<0.0001). IgG transplacental transfer ratio was significantly higher when the first maternal positive PCR was 60-180 days before delivery compared with <60 days (1.2 vs 0.6, p<0.0001). Infant IgG seroreversion rates over follow-up periods of 1-4, 5-12, and 13-28 weeks were 8% (4 of 48), 12% (3 of 25), and 38% (5 of 13), respectively. The IgG seropositivity in the infants was positively related to IgG levels in the cord blood and persisted up to 6 months of age. Two newborns showed seroconversion at 2 weeks of age with high levels of IgM and IgG, including one premature infant with confirmed intrapartum infection. CONCLUSIONS: Maternal SARS-CoV-2 IgG is efficiently transferred across the placenta when infections occur more than 2 months before delivery. Maternally derived passive immunity may persist in infants up to 6 months of life. Neonates are capable of mounting a strong antibody response to perinatal SARS-CoV-2 infection.

19.
medRxiv ; 2021 May 03.
Artigo em Inglês | MEDLINE | ID: mdl-33972953

RESUMO

OBJECTIVE: To investigate maternal immunoglobulins' (IgM, IgG) response to SARS-CoV-2 infection during pregnancy and IgG transplacental transfer, to characterize neonatal antibody response to SARS-CoV-2 infection, and to longitudinally follow actively- and passively-acquired SARS-CoV-2 antibodies in infants. DESIGN: A prospective observational study. SETTING: A public healthcare system in Santa Clara County (CA, USA). PARTICIPANTS: Women with SARS-CoV-2 infection during pregnancy and their infants were enrolled between April 15, 2020 and March 31, 2021. OUTCOMES: SARS-CoV-2 serology analyses in the cord and maternal blood at delivery and longitudinally in infant blood between birth and 28 weeks of life. RESULTS: Of 145 mothers who tested positive for SARS-CoV-2 during pregnancy, 86 had symptomatic infections: 78 with mild-moderate symptoms, and eight with severe-critical symptoms. Of the 147 newborns, two infants showed seroconversion at two weeks of age with high levels of IgM and IgG, including one premature infant with confirmed intrapartum infection. The seropositivity rates of the mothers at delivery was 65% (95% CI 0.56-0.73) and the cord blood was 58% (95% CI 0.49-0.66). IgG levels significantly correlated between the maternal and cord blood (Rs= 0.93, p< 0.0001). IgG transplacental transfer ratio was significantly higher when the first maternal positive PCR was 60-180 days before delivery compared to <60 days (1.2 vs. 0.6, p=<0.0001). Infant IgG negative conversion rate over follow-up periods of 1-4, 5-12, and 13-28 weeks were 8% (4/48), 12% (3/25), and 38% (5/13), respectively. The IgG seropositivity in the infants was positively related to IgG levels in the cord blood and persisted up to six months of age. CONCLUSIONS: Maternal SARS-CoV-2 IgG is efficiently transferred across the placenta when infections occur more than two months before delivery. Maternally-derived passive immunity may protect infants up to six months of life. Neonates mount a strong antibody response to perinatal SARS-CoV-2 infection.

20.
ACS Appl Mater Interfaces ; 13(31): 37455-37465, 2021 Aug 11.
Artigo em Inglês | MEDLINE | ID: mdl-34339168

RESUMO

Multi-material and multilayered micro- and nanostructures are prominently featured in nature and engineering and are recognized by their remarkable properties. Unfortunately, the fabrication of micro- and nanostructured materials through conventional processes is challenging and costly. Herein, we introduce a high-throughput, continuous, and versatile strategy for the fabrication of polymer fibers with complex multilayered nanostructures. Chaotic electrospinning (ChE) is based on the coupling of continuous chaotic printing (CCP) and electrospinning, which produces fibers with an internal multi-material microstructure. When a CCP printhead is used as an electrospinning nozzle, the diameter of the fibers is further scaled down by 3 orders of magnitude while preserving their internal structure. ChE enables the use of various polymer inks for the creation of nanofibers with a customizable number of internal nanolayers. Our results showcase the versatility and tunability of ChE to fabricate multilayered structures at the nanoscale at high throughput. We apply ChE to the synthesis of unique carbon textile electrodes composed of nanofibers with striations carved into their surface at regular intervals. These striated carbon electrodes with high surface areas exhibit 3- to 4-fold increases in specific capacitance compared to regular carbon nanofibers; ChE holds great promise for the cost-effective fabrication of electrodes for supercapacitors and other applications.

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