A novel diselenide attenuates the carrageenan-induced inflammation by reducing neutrophil infiltration and the resulting tissue damage in mice.

Selenium-containing compounds have emerged as promising treatment for redox-based and inflammatory diseases. This study aimed to investigate the in vitro and in vivo anti-inflammatory activity of a novel diselenide named as dibenzyl[diselanediyIbis(propane-3-1diyl)] dicarbamate (DD). DD reacted with HOCl (k = 9.2 x 107 M-1s-1), like glutathione (k = 1.2 x 108 M-1s-1), yielding seleninic and selenonic acid derivatives, and it also decreased HOCl formation by activated human neutrophils (IC50=4.6 µM) and purified myeloperoxidase (MPO) (IC50=3.8 µM). However, tyrosine, MPO-I and MPO-II substrates, did not restore HOCl formation in presence of DD. DD inhibited the oxidative burst in dHL-60 cells with no toxicity up to 25 µM for 48h. Next, an intraperitoneal administration of 25, 50, and 75 mg/kg DD decreased total leukocyte, neutrophil chemotaxis, and inflammation markers (MPO activity, lipid peroxidation, albumin exudation, nitrite, TNF-α, IL-1ß, CXCL1/KC, and CXCL2/MIP-2) on a murine model of carrageenan-induced peritonitis. Likewise, 50 mg/kg DD (i.p.) decreased carrageenan-induced paw edema over 5h. Histological and immunohistochemistry analyses of the paw tissue showed decreased neutrophil count, edema area, and MPO, carbonylated, and nitrated protein staining. Furthermore, DD treatment decreased the fMLP-induced chemotaxis of human neutrophils (IC50=3.7 µM) in vitro with no toxicity. Lastly, DD presented no toxicity in a single-dose model using mice (50 mg/kg, i.p.) over 15 days and in Artemia salina bioassay (50 to 2000 µM), corroborating findings from in silico toxicological study. Altogether, these results demonstrate that DD attenuates carrageenan-induced inflammation mainly by reducing neutrophil migration and the resulting damage from MPO-mediated oxidative burst.

The MetaGens algorithm for metagenomic database lossy compression and subject alignment.

The advancement of genetic sequencing techniques led to the production of a large volume of data. The extraction of genetic material from a sample is one of the early steps of the metagenomic study. With the evolution of the processes, the analysis of the sequenced data allowed the discovery of etiological agents and, by corollary, the diagnosis of infections. One of the biggest challenges of the technique is the huge volume of data generated with each new technology developed. To introduce an algorithm that may reduce the data volume, allowing faster DNA matching with the reference databases. Using techniques like lossy compression and substitution matrix, it is possible to match nucleotide sequences without losing the subject. This lossy compression explores the nature of DNA mutations, insertions and deletions and the possibility that different sequences are the same subject. The algorithm can reduce the overall size of the database to 15% of the original size. Depending on parameters, it may reduce up to 5% of the original size. Although is the same as the other platforms, the match algorithm is more sensible because it ignores the transitions and transversions, resulting in a faster way to obtain the diagnostic results. The first experiment results in an increase in speed 10 times faster than Blast while maintaining high sensitivity. This performance gain can be extended by combining other techniques already used in other studies, such as hash tables. Database URL https://github.com/ghc4/metagens.

Development of a photoinduced fragmentation ion trap for infrared multiple photon dissociation spectroscopy.

RATIONALE: Methods for isomer discrimination by mass spectroscopy are of increasing interest. Here we describe the development of a three-dimensional ion trap for infrared multiple photon dissociation (IRMPD) spectroscopy that enables the acquisition of the infrared spectrum of selected ions in the gas phase. This system is suitable for the study of a myriad of chemical systems, including isomer mixtures. METHODS: A modified three-dimensional ion trap was coupled to a CO2 laser and an optical parametric oscillator/optical parametric amplifier (OPO/OPA) system operating in the range 2300 to 4000 cm-1 . Density functional theory vibrational frequency calculations were carried out to support spectral assignments. RESULTS: Detailed descriptions of the interface between the laser and the mass spectrometer, the hardware to control the laser systems, the automated system for IRMPD spectrum acquisition and data management are presented. The optimization of the crystal position of the OPO/OPA system to maximize the spectroscopic response under low-power laser radiation is also discussed. CONCLUSIONS: OPO/OPA and CO2 laser-assisted dissociation of gas-phase ions was successfully achieved. The system was validated by acquiring the IRMPD spectra of model species and comparing with literature data. Two isomeric alkaloids of high economic importance were characterized to demonstrate the potential of this technique, which is now available as an open IRMPD spectroscopy facility in Brazil.

Project and Preliminary Evaluation of SimHosp, a Tool for Decision Making in Nursing.

Computerized simulators are important tools that support teaching in many areas. The use of these instruments is often described as significant for students and teachers. In this paper, a software piece was developed to aid decision-making in nursing, allowing the simulation of real situations, addressed in the classroom. The simulator architecture corresponds to a multi-agent system supported by a state machine model. To build the knowledge base, a list of contents was selected, including the Nursing Intervention Classification (NIC). An experiment was carried out with the participation of eleven students of the third year of the course. A questionnaire was applied and, as a result, there were more than 90% of acceptance as a relevant educational tool. The simulation, through this tool, contributed to apply theoretical knowledge to the students, besides helping in the development of the nursing decision-making ability.

Workload: a comparison between the online and observational methods.

OBJECTIVE: To measure nursing Workload (WL) of nurses who work in the Inpatient Unit, as recommended by the Nursing Interventions Classification (NIC), comparing observational and online methods to propose supervision strategies for academic professionals. METHOD: Quantitative, descriptive, observational study performed in a Clinical/Surgical Hospital Unit. 30 direct and indirect activities. Data collected in observational and online records. Statistical analysis: SPSS 18.0 software, percentage frequencies and associated times between groups by Fisher's Exact test, 95% confidence interval, significance level 5%. RESULTS: Comparing the activities performed with the NIC time: from the direct 16, five observational and five online, were out of range, with no significant difference between frequencies (P=0.427). Of the 14 indirect, only in the observational, two were out of the range, without significant difference (P=0.486). CONCLUSION: Both methods measure WL; the online method developed accompanies activities performed in real time.

Workload: a comparison between the online and observational methods / Carga horaria de trabajo: comparación de los métodos observacionales y online / Carga horária de trabalho: comparação dos métodos observacional e on-line

ABSTRACT Objective: To measure nursing Workload (WL) of nurses who work in the Inpatient Unit, as recommended by the Nursing Interventions Classification (NIC), comparing observational and online methods to propose supervision strategies for academic professionals. Method: Quantitative, descriptive, observational study performed in a Clinical/Surgical Hospital Unit. 30 direct and indirect activities. Data collected in observational and online records. Statistical analysis: SPSS 18.0 software, percentage frequencies and associated times between groups by Fisher's Exact test, 95% confidence interval, significance level 5%. Results: Comparing the activities performed with the NIC time: from the direct 16, five observational and five online, were out of range, with no significant difference between frequencies (P=0.427). Of the 14 indirect, only in the observational, two were out of the range, without significant difference (P=0.486). Conclusion: Both methods measure WL; the online method developed accompanies activities performed in real time.

RESUMEN Objetivo: Medir la carga de trabajo (CT) de los enfermeros que actúan en Unidad de Internación, según preconiza la Nursing Interventions Classification (NIC), comparando los métodos observacional y online, para proponer estrategias de supervisión de los profesionales y académicos. Método: Estudio observacional descriptivo cuantitativo realizado en una Unidad de Internación Clínica/Quirúrgica. 30 actividades directas e indirectas. Datos recogidos en registros observacionales y en línea. Análisis estadístico: Software SPSS 18.0, frecuencias porcentuales y tiempos asociados entre grupos por la prueba Exacto de Fisher, intervalo de confianza 95%, nivel de significancia 5%. Resultados: Comparando las actividades realizadas con el tiempo preconizado por la NIC: de las 16 directas, cinco en el observacional y cinco en el on-line, estaban fuera del intervalo, sin diferencia significativa entre frecuencias (P=0,427). De las 14 indirectas, sólo en el observacional, dos estaban fuera del intervalo, sin diferencia significativa (P=0,486). Conclusión: Ambos métodos sirven para medir CT; el método online desarrollado acompaña actividades ejecutadas en tiempo real.

RESUMO Objetivo: Mensurar a Carga de Trabalho (CT) dos enfermeiros que atuam em Unidade de Internação, conforme preconiza a Nursing Interventions Classification (NIC), comparando os métodos observacional e on-line, para propor estratégias de supervisão dos profissionais eacadêmicos. Método: Estudo observacional descritivo quantitativo realizado em uma Unidade de Internação Clínica/Cirúrgica. 30 atividades diretas e indiretas. Dados levantados em registros observacional e on-line. Análise estatística: Software SPSS 18.0, frequências percentuais e tempos associadas entre grupos pelo teste Exato de Fisher, intervalo de confiança 95%, nível de significância 5%. Resultados: Comparando as atividades executadas com o tempo preconizado pela NIC: das 16 diretas, cinco no observacional e cinco no on-line, estavam fora do intervalo, sem diferença significativa entre frequências (P=0,427). Das 14 indiretas, apenas no observacional, duas estavam fora do intervalo, sem diferença significativa (P=0,486). Conclusão: Ambos os métodos servem para medir CT; o método on-line desenvolvido acompanha atividades executadas em tempo real.

Evaluation of Common Theoretical Methods for Predicting Infrared Multiphotonic Dissociation Vibrational Spectra of Intramolecular Hydrogen-Bonded Ions.

Infrared photodissociation analyses are supported by theoretical calculations that allow a trustworthy interpretation of experimental spectra of gaseous ions. B3LYP calculations are the most prominent method used to model IR spectra, as detailed in our bibliographic survey. However, this and other commonly used methods are known to provide inaccurate energy values and geometries, especially when it comes to long-range interactions, such as intramolecular H-bonds, which show increased anharmonicity. Therefore, we evaluated some of the most commonly used density functional theory methods (B3LYP, CAM-B3LYP, and M06-2X) and basis sets (6-31+G(d,p), 6-311++G(d,p), 6-311++G(3df,2pd), aug-cc-pVDZ, and aug-cc-pVTZ), including anharmonicity and dispersion corrections. The results were compared to MP2 calculations and to experimental high-frequency (2000-4000 cm-1) IR multiphotonic dissociation (IRMPD) spectra of two protonated model molecules containing intramolecular hydrogen bonds: biotin and tryptophan. M06-2X/6-31+G(d,p) was shown to be the most cost-effective level of theory, whereas CAM-B3LYP was the most efficient method to describe the van der Waals interactions. The use of the dispersion correction D3, proposed by Grimme, improved the description of O-H vibrations involved in H-bonding but worsened the description of N-H stretches. Anharmonic calculations were shown to be extremely expensive when compared to other approaches. The efficiencies of well-established scaling factors (SFs) in opposition to sample-dependent SFs were also discussed and the use of fitted SFs were shown to be the most cost-effective approach to predict IRMPD spectra. M06-2X/6-31+G(d,p) and CAM-B3LYP/aug-cc-pVDZ were also tested against the fingerprint region. Our results suggest that these methods can also be used for analysis in this lower frequency range and should be regarded as the methods of choice for cost-effective IRMPD simulations rather than the ubiquitous B3LYP method, especially when further molecular properties are needed.

Design of a Hospital Simulation Software for Nursing Education.

This work aims to describe the inception and design for a hospital simulator based on data and cases provided by teachers and other randomized data. The main goal is to develop a computer software tool that simulates a hospital as a tool for nursing student. The system is based on a multi-agent model and multi threaded parallel processing. Other parts includes the interfaces for teacher and student, reports and fixed constraints like Laws and other rules. This is a work in progress project and will be released as open source software after the final validation.