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1.
Chem Commun (Camb) ; 60(56): 7212-7215, 2024 Jul 09.
Artigo em Inglês | MEDLINE | ID: mdl-38910552

RESUMO

A label-free one-step lithographically masked deposition technique was implemented for the fabrication of gold nanoparticle (Au NP) micropatterns. These micropatterns serve as active substrates for surface-enhanced infrared absorption spectroscopy (SEIRAS) and exhibit a substantial increase in the IR signal upon adsorption of multiple proteins compared to untreated surfaces. Micro-FTIR chemical imaging was conducted to evaluate the efficacy of Au NP micropatterns as singular enhancers for SEIRAS across diverse IR-active substrates demonstrating a promising application for the detection of proteins at low concentrations within biological fluids.


Assuntos
Ouro , Nanopartículas Metálicas , Propriedades de Superfície , Ouro/química , Nanopartículas Metálicas/química , Proteínas/análise , Proteínas/química , Adsorção , Espectroscopia de Infravermelho com Transformada de Fourier
2.
J Mol Model ; 30(10): 350, 2024 Sep 26.
Artigo em Inglês | MEDLINE | ID: mdl-39325274

RESUMO

CONTEXT: Alzheimer's disease (AD) is the leading cause of dementia around the world, totaling about 55 million cases, with an estimated growth to 74.7 million cases in 2030, which makes its treatment widely desired. Several studies and strategies are being developed considering the main theories regarding its origin since it is not yet fully understood. Among these strategies, the 5-HT6 receptor antagonism emerges as an auspicious and viable symptomatic treatment approach for AD. The 5-HT6 receptor belongs to the G protein-coupled receptor (GPCR) family and is closely implicated in memory loss processes. As a serotonin receptor, it plays an important role in cognitive function. Consequently, targeting this receptor presents a compelling therapeutic opportunity. By employing antagonists to block its activity, the 5-HT6 receptor's functions can be effectively modulated, leading to potential improvements in cognition and memory. METHODS: Addressing this challenge, our research explored a promising avenue in drug discovery for AD, employing Artificial Neural Networks-Quantitative Structure-Activity Relationship (ANN-QSAR) models. These models have demonstrated great potential in predicting the biological activity of compounds based on their molecular structures. By harnessing the capabilities of machine learning and computational chemistry, we aimed to create a systematic approach for analyzing and forecasting the activity of potential drug candidates, thus streamlining the drug discovery process. We assembled a diverse set of compounds targeting this receptor and utilized density functional theory (DFT) calculations to extract essential molecular descriptors, effectively representing the structural features of the compounds. Subsequently, these molecular descriptors served as input for training the ANN-QSAR models alongside corresponding biological activity data, enabling us to predict the potential efficacy of novel compounds as 5-hydroxytryptamine receptor 6 (5-HT6) antagonists. Through extensive analysis and validation of ANN-QSAR models, we identified eight new promising compounds with therapeutic potential against AD.


Assuntos
Doença de Alzheimer , Desenho de Fármacos , Relação Quantitativa Estrutura-Atividade , Receptores de Serotonina , Antagonistas da Serotonina , Doença de Alzheimer/tratamento farmacológico , Doença de Alzheimer/metabolismo , Receptores de Serotonina/metabolismo , Receptores de Serotonina/química , Humanos , Antagonistas da Serotonina/química , Antagonistas da Serotonina/farmacologia , Antagonistas da Serotonina/uso terapêutico , Redes Neurais de Computação , Modelos Moleculares
3.
New Microbiol ; 35(2): 183-90, 2012 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-22707131

RESUMO

The aim of the present study was to isolate S. aureus strains resistant to antibiotics, characterize the genotype profiles of resistance staphylococci, and evaluate the efficacy of antiseptic agents and disinfectants used in two public hospitals of Vitoria da Conquista, Bahia, Brazil. Clinical samples were obtained from ICU environments and equipment surfaces in two public hospitals in Vitoria da Conquista. Broth cultures were plated onto mannitol salt agar, and antimicrobial susceptibility testing was performed by the broth microdilution method according to CLSI. MRSA strains were submitted to PCR for detecting the mecA gene. PCR products were purified and sequenced for SCCmec type identification. Moreover, the strains were tested for efficacy of different disinfectant solutions. S. aureus were isolated from 31 and 67 sites in each hospital, respectively. Among the isolates from hospital 1, 07 (22.6%) were resistant to oxacillin while 28 (41.8%) were resistant in hospital 2. Thirty-one were positive for the mecA gene. All isolates showed SCCmec type III genotype characteristics of the Brazilian epidemic clone. In disinfectant tests, sodium hypochlorite (0.5, 1.0 and 2.0%), 2% chlorhexidine gluconate, quaternary ammonium, peracetic acid and formaldehyde were effective against the isolates tested. The strains showed higher resistance to vinegar (4% acetic acid), alcohol and glutaraldehyde. The findings of this study should assist in reducing the occurrence of nosocomial infections and therefore the morbidity, mortality and socio-economic burden caused by prolonged hospitalization.


Assuntos
Infecção Hospitalar/prevenção & controle , Contaminação de Equipamentos , Unidades de Terapia Intensiva , Staphylococcus aureus Resistente à Meticilina/efeitos dos fármacos , Staphylococcus aureus Resistente à Meticilina/isolamento & purificação , Antibacterianos/farmacologia , Brasil , Infecção Hospitalar/microbiologia , Farmacorresistência Bacteriana , Microbiologia Ambiental , Humanos , Staphylococcus aureus Resistente à Meticilina/classificação , Staphylococcus aureus Resistente à Meticilina/genética , Testes de Sensibilidade Microbiana
4.
Braz J Psychiatry ; 36(3): 206-12, 2014 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-24770656

RESUMO

OBJECTIVE: To evaluate the validity and utility of the Hamilton Rating Scale for Depression (HAM-D), Beck Depression Inventory (BDI), and Hospital Anxiety and Depression Scale (HADS) as screening tools for depression after severe traumatic brain injury (TBI). METHODS: Forty-six consecutive survivors of severe TBI were evaluated at a median of 15 months after injury. Receiver operating characteristic (ROC) analysis was performed using HAM-D, BDI, and HADS as predictors, and the Structured Clinical Interview for DSM-IV Axis I Disorders (SCID-I) as gold standard. RESULTS: The area under the curve (AUC) for HAM-D was 0.89, and the optimal cutoff point was 7 (sensitivity 92.9%, specificity 78.1%); for the BDI, the AUC was 0.946 and the optimal cutoff point was 14 (sensitivity 92.3%, specificity 96.7%); for the HADS, the AUC was 0.947 and the optimal cutoff point was 9 (sensitivity 100%, specificity 80.7%); and for the HADS depression subscale, the AUC was 0.937 and the optimal cutoff point was 6 (sensitivity 92.9%, specificity 83.9%). There were no statistically significant differences among the AUCs. CONCLUSION: Our findings support a high validity and utility for the HAM-D, BDI, and HADS as screening tools for depression in patients with severe TBI, without major changes in standard cutoff points.


Assuntos
Lesões Encefálicas/psicologia , Transtorno Depressivo/diagnóstico , Transtorno Depressivo/etiologia , Escalas de Graduação Psiquiátrica/normas , Adulto , Fatores Etários , Área Sob a Curva , Intervalos de Confiança , Feminino , Humanos , Masculino , Programas de Rastreamento/métodos , Estudos Prospectivos , Psicometria , Valores de Referência , Reprodutibilidade dos Testes , Sensibilidade e Especificidade , Fatores Sexuais , Inquéritos e Questionários/normas , Adulto Jovem
5.
Braz J Infect Dis ; 18(2): 129-36, 2014.
Artigo em Inglês | MEDLINE | ID: mdl-24216155

RESUMO

Currently, hospital infection is a serious public health problem, and several factors may influence the occurrence of these infections, including the presence of insects, which are carriers of multidrug-resistant bacterial species. The aim of this study was to isolate staphylococci carried by insects in two public hospitals of Vitoria da Conquista, Bahia and to identify the resistance profile, pathogenicity and efficacy of disinfection of the premises. A total of 91 insects were collected in 21 strategic points of these hospitals, and 32 isolated strains of Staphylococcus aureus were isolated. Based on antibiogram and Minimum Inhibitory Concentration results, 95% of these strains were susceptible to oxacillin. These strains were also evaluated for the presence of resistance genes encoding resistance to oxacillin/methicillin by polymerase chain reaction, but the sample was negative for this gene. Pathogenicity tests were performed in vitro biofilm formation induced by glucose, where it was found that eight (27.58%) strains were classified as biofilm producers and 21 (72.4%) as stronger producers. In addition, we performed PCR for their virulence genes: Sea (enterotoxin A), SEB (B), Sec (C), PVL (Panton-Valentine Leukocidin), ClfA (clumping factor A) and Spa (protein A). Of these, Sea, Spa PVL were positive in 7 (21.8%), 2 (6.3%) and 1 (3.1%) samples, respectively. The analysis of cytokine induction in the inflammatory response of J774 macrophages by isolates from the two hospitals did not show statistical difference at the levels of IL-6, TNF-α, IL-1 and IL-10 production. In addition, we verified the antimicrobial activity of disinfecting agents on these strains, quaternary ammonium, 0.5% sodium hypochlorite, 1% sodium hypochlorite, 2% sodium hypochlorite, 2% glutaraldehyde, Lysoform(®), 70% alcohol solution of chlorhexidine digluconate, 2% peracetic acid, and 100% vinegar. Resistance was seen in only for the following two disinfectants: 70% alcohol in 31 (96.8%) samples tested and vinegar in 30 (93.8%) samples. The study demonstrated the presence of resistant and pathogenic organisms conveyed by insects, thus suggesting improvement in efforts to control these vectors.


Assuntos
Antibacterianos/farmacologia , Desinfecção/métodos , Insetos/microbiologia , Staphylococcus aureus , Animais , Biofilmes/crescimento & desenvolvimento , Brasil , DNA Bacteriano/genética , Genótipo , Hospitais Públicos , Insetos/classificação , Resistência a Meticilina/genética , Testes de Sensibilidade Microbiana , Reação em Cadeia da Polimerase , Staphylococcus aureus/efeitos dos fármacos , Staphylococcus aureus/isolamento & purificação , Staphylococcus aureus/patogenicidade , Staphylococcus aureus/fisiologia , Fatores de Virulência/genética
6.
Braz. J. Psychiatry (São Paulo, 1999, Impr.) ; 36(3): 206-212, Jul-Sep/2014. tab, graf
Artigo em Inglês | LILACS | ID: lil-718440

RESUMO

Objective: To evaluate the validity and utility of the Hamilton Rating Scale for Depression (HAM-D), Beck Depression Inventory (BDI), and Hospital Anxiety and Depression Scale (HADS) as screening tools for depression after severe traumatic brain injury (TBI). Methods: Forty-six consecutive survivors of severe TBI were evaluated at a median of 15 months after injury. Receiver operating characteristic (ROC) analysis was performed using HAM-D, BDI, and HADS as predictors, and the Structured Clinical Interview for DSM-IV Axis I Disorders (SCID-I) as gold standard. Results: The area under the curve (AUC) for HAM-D was 0.89, and the optimal cutoff point was 7 (sensitivity 92.9%, specificity 78.1%); for the BDI, the AUC was 0.946 and the optimal cutoff point was 14 (sensitivity 92.3%, specificity 96.7%); for the HADS, the AUC was 0.947 and the optimal cutoff point was 9 (sensitivity 100%, specificity 80.7%); and for the HADS depression subscale, the AUC was 0.937 and the optimal cutoff point was 6 (sensitivity 92.9%, specificity 83.9%). There were no statistically significant differences among the AUCs. Conclusion: Our findings support a high validity and utility for the HAM-D, BDI, and HADS as screening tools for depression in patients with severe TBI, without major changes in standard cutoff points. .


Assuntos
Adulto , Feminino , Humanos , Masculino , Adulto Jovem , Lesões Encefálicas/psicologia , Transtorno Depressivo/diagnóstico , Transtorno Depressivo/etiologia , Escalas de Graduação Psiquiátrica/normas , Fatores Etários , Área Sob a Curva , Intervalos de Confiança , Programas de Rastreamento/métodos , Estudos Prospectivos , Psicometria , Inquéritos e Questionários/normas , Valores de Referência , Reprodutibilidade dos Testes , Sensibilidade e Especificidade , Fatores Sexuais
7.
Braz. j. infect. dis ; 18(2): 129-136, Mar-Apr/2014. tab, graf
Artigo em Inglês | LILACS | ID: lil-709418

RESUMO

Currently, hospital infection is a serious public health problem, and several factors may influence the occurrence of these infections, including the presence of insects, which are carriers of multidrug-resistant bacterial species. The aim of this study was to isolate staphylococci carried by insects in two public hospitals of Vitoria da Conquista, Bahia and to identify the resistance profile, pathogenicity and efficacy of disinfection of the premises. A total of 91 insects were collected in 21 strategic points of these hospitals, and 32 isolated strains ofStaphylococcus aureus were isolated. Based on antibiogram and Minimum Inhibitory Concentration results, 95% of these strains were susceptible to oxacillin. These strains were also evaluated for the presence of resistance genes encoding resistance to oxacillin/methicillin by polymerase chain reaction, but the sample was negative for this gene. Pathogenicity tests were performed in vitro biofilm formation induced by glucose, where it was found that eight (27.58%) strains were classified as biofilm producers and 21 (72.4%) as stronger producers. In addition, we performed PCR for their virulence genes: Sea (enterotoxin A), SEB (B), Sec (C), PVL (Panton-Valentine Leukocidin), ClfA (clumping factor A) and Spa (protein A). Of these, Sea, Spa PVL were positive in 7 (21.8%), 2 (6.3%) and 1 (3.1%) samples, respectively. The analysis of cytokine induction in the inflammatory response of J774 macrophages by isolates from the two hospitals did not show statistical difference at the levels of IL-6, TNF-α, IL-1 and IL-10 production. In addition, we verified the antimicrobial activity of disinfecting agents on these strains, quaternary ammonium, 0.5% sodium hypochlorite, 1% sodium hypochlorite, 2% sodium hypochlorite, 2% glutaraldehyde, Lysoform®, 70% alcohol solution of chlorhexidine digluconate, 2% peracetic acid, and 100% vinegar. Resistance was seen in only for the following two disinfectants: 70% alcohol in 31 (96.8%) samples tested and vinegar in 30 (93.8%) samples. The study demonstrated the presence of resistant and pathogenic organisms conveyed by insects, thus suggesting improvement in efforts to control these vectors.


Assuntos
Animais , Antibacterianos/farmacologia , Desinfecção/métodos , Insetos/microbiologia , Staphylococcus aureus , Brasil , Biofilmes/crescimento & desenvolvimento , DNA Bacteriano/genética , Genótipo , Hospitais Públicos , Insetos/classificação , Testes de Sensibilidade Microbiana , Resistência a Meticilina/genética , Reação em Cadeia da Polimerase , Staphylococcus aureus/efeitos dos fármacos , Staphylococcus aureus/isolamento & purificação , Staphylococcus aureus/patogenicidade , Staphylococcus aureus/fisiologia , Fatores de Virulência/genética
8.
Arq. neuropsiquiatr ; 54(1): 50-6, mar. 1996. ilus
Artigo em Português | LILACS | ID: lil-164054

RESUMO

Com o intuito de estudar a atividade eletrencefalográfica em vigilia da demência senil de tipo Alzheimer (DA) e da doença de Parkinson (DP) foi iniciado estudo prospectivo e controlado. Foram comparados 6 paciente com DA e 11 pacientes com DP, com um grupo controle composto por 12 pacientes com depressao maior crônica leve a moderada (DSM-III-R, 1987). Nos três grupos, através de análise espectral, foi obtida a mediana da frequência da energia da atividade dominante posterior. O grupo controle apresentou atividade posterior com frequência de 8,79 ñ O,52 (mñdp). No grupo com DA este valor foi 6,65 ñ O,8O (mñdp) e no grupo com DP 7,69 + 1,39 (mñdp). A hipótese experimental de que pacientes com DA e DP diferem dos controles em relaçao à atividade de fundo (definida como anormal sendo <8) foi confirmada pelo teste do qui quadrado (p=O,Ol) e no teste t a média das frequências da energia posterior foi significativamente menor nos pacientes com DA (p=O,O1) e DP (p=O,O5) do que nos controles. Os resultados indicam que esta anormalidade possa ser correlacionada com o grau de comprometimento cortical e a gravidade da evoluçao da DA e da DP.


Assuntos
Humanos , Masculino , Feminino , Pessoa de Meia-Idade , Demência/diagnóstico , Doença de Alzheimer/diagnóstico , Doença de Parkinson/diagnóstico , Eletrocardiografia , Mapeamento Encefálico , Ensaios Clínicos Controlados como Assunto , Depressão/etiologia , Estudos Prospectivos , Ritmo Teta
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