Fungemia in COVID-19 ICU patients, a single medical center experience.

A known proportion of patients who are admitted for the novel coronavirus disease 2019 (COVID-19) requires intensive care unit (ICU) level of care. Prolonged ICU stay is a risk factor for the development of nosocomial candidemia. The current study aimed to investigate the incidence and risk factors associated with the development of nosocomial candidemia among patients admitted to the ICU for COVID-19. Patients who developed nosocomial candidemia were identified, and their clinical course was reported. A 1:3 case control matching was used to identify non-candidemia patients who served as controls. 89 patients were admitted to the ICU for COVID-19 during the study period. The incidence of nosocomial candidemia was 8.9% (n = 8). Case-control matching identified 24 patients with similar disease severity at the time of ICU admission. Median time to first isolation of yeast was 26 days. Candidemia patients reported longer median ICU stay than controls. (40 vs. 10 days, p = .004). In hospital death rates were comparable in both groups (38% vs. 54%, p = .548). Prolonged mechanical ventilation support was associated with the development of nosocomial candidemia.

Concordância na seleção de cor dentária visual e digital: comparativo entre sistema Classical A1-D4, Linearguide 3D-Master e um espectrofotômetro / Accordance in visual and digital shade determination: comparative between classical A1-D4 system, Linearguide 3D-Master, and a spectrophotometer

Novas escalas de cor e aparelhos eletrônicos foram desenvolvidos no intuito de melhorar e aperfeiçoar a seleção de cor. Este estudo avaliou a concordância observada durante a seleção de cor pelo método visual, utilizando as escalas de cor VITA classical A1-D4 e Linearguide 3D-Master, com a concordância apresentada pelo método digital por meio de um espectrofotômetro (VITA Easyshade Advance). O método aplicado foi o pareamento de uma amostra de cor com outra amostra do mesmo sistema de cor. Cinco amostras de cor da escala VITA classical A1-D4 e cinco amostras de cor da escala 3D-Master foram utilizadas como cores alvos para serem coincididas. Três amostras destas cores selecionadas foram posicionadas no lugar do elemento 12, 11 e 21 em dez manequins odontológicos. O critério de exclusão dos avaliadores foi a deficiência na visão cromática, avaliada através do teste de Ishihara. Os avaliadores realizaram a seleção de cor do elemento 11 em dez manequins pelo método visual. Na sequência, os mesmos avaliadores repetiram a seleção de cor por meio de um espectrofotômetro. A concordância observada utilizando a escala VITA classical foi de 66,31%, com a escala Linearguide foi de 46,84%. O espectrofotômetro obteve uma concordância observada de 90,44%. Concluiu-se que a seleção de cor por meio da espectrofotometria apresenta uma concordância maior que a seleção de cor pelo método visual (AU)

New shade guides and electronic devices were developed in order to improve shade selection. The present study has evaluated the accordance observed during shade selection carried out through visual method (using shade guides VITA classical A1-D4 e Linearguide 3D-Master) and that observed in instrumental shade selection using a spectrophotometer (VITA Easyshade Advance). Five shade tabs from the VITA classical A1-D4 system and five shade tabs from 3D-Master system were considered the golden standard. Three identical shade tabs of the selected colors were inserted into the place of teeth 12, 11 and 21 of ten articulated models and fixed in ten phantom heads. Color vision deficiency was the only exclusion criteria and evaluated using the Ishihara color vision test. The evaluators performed shade selection of element 11 in ten phantom heads through the visual method. Than the instrumental shade identification of the same teeth was performed using a spectrophotometer. Results showed that 66.31% of perfect matches for VITA classical A1-D4 and 46.84% for the Linearguide 3DMaster. The spectrophotometer obtained 90.44% of exact identifications. It was concluded that instrumental shade determination is more accurate in comparison to visual shade determination, independent of the color system used (AU)

Pharmacophore elucidation and molecular docking studies on 5-phenyl-1-(3-pyridyl)-1h-1,2,4-triazole-3-carboxylic acid derivatives as COX-2 inhibitors.

A set of 5-phenyl-1-(3-pyridyl)-1H-1,2,4-triazole-3-carboxylic acid derivatives (16â32) showing anti-inflammatory activity was analyzed using a three-dimensional qualitative structure-selectivity relationship (3D QSSR) method. The CatalystHipHop approach was used to generate a pharmacophore model for cyclooxygenase-2 (COX-2) inhibitors based on a training set of 15 active inhibitors (1â15). The degree of fitting of the test set compounds (16â32) to the generated hypothetical model revealed a qualitative measure of the more or less selective COX-2 inhibition of these compounds. The results indicate that most derivatives (16, 18, 20â25, and 30â32) are able to effectively satisfy the proposed pharmacophore geometry using energy accessible conformers (E(conf) < 20 kcal/mol). In addition, the triazole derivatives (16â32) were docked into COX-1 and COX-2 X-ray structures, using the program GOLD. Based on the docking results it is suggested that several of these novel triazole derivatives are active COX inhibitors with a significant preference for COX-2. In principle, this work presents an interesting, comprehensive approach to theoretically predict the mode of action of compounds that showed anti-inflammatory activity in an in vivo model.

Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors.

One hundred and seventy-four pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione derivatives reported as inhibitors of the kinase Wee1 were used for a molecular docking and three-dimensional quantitative structure-activity relationship (3D-QSAR) study. Due to the availability of the three-dimensional structure of the Wee1 kinase a receptor-based alignment strategy was applied. Six available Wee1-inhibitor crystal structures were analyzed using the docking program GOLD resulting in a good reproduction of the experimentally derived position and interaction of the cocrystallized inhibitors. Since only a low correlation between docking scores and inhibitory activities was obtained for the series of 174 inhibitors a receptor-based 3D-QSAR study was performed, dividing the data set into 144 training set molecules and an external test set of 30 compounds. Besides the ligand alignment derived from the docking study we tested several other alignment procedures as basis for the 3D-QSAR analysis. The most predictive model was obtained using the alignment from the GOLD docking study. The CoMFA model was found to be robust (q(LOO)(2)=0.764 and r(2)=0.870). The predictive ability of the model was further examined by carrying out leave-20%-out and leave-50%-out cross-validation (q(2)=0.747 for leave-20%-out and 0.737 for leave-50%-out) and predicting the activities of 30 inhibitors used as external test set (r(pred)(2)=0.790). The graphical analysis of the CoMFA contour plot together with the key residues of the binding pocket provided important insight into the relevant interactions of the inhibitors. The results not only provide information about the essential features of potent Wee1 inhibitors but also show the advantage of using receptor-based alignment for 3D-QSAR analysis.