Exploring Molecular and Electronic Property Predictions of Reduced Graphene Oxide Nanoflakes via Density Functional Theory.

In this research, we perform a theoretical interpretation of molecular and electronic properties of reduced graphene oxide (rGO) nanoflakes through the density functional theory. Here, two pristine graphene nanoflake systems were passivated by hydrogen atoms at their edges, armchair (C58H20) and zigzag (C54H20); besides, we implemented 12 rGO systems with a range of low oxide coverage (1, 3, and 4%). Computational calculations were carried out employing the functional hybrid B3LYP and the basis 6-31G(d, p) and 6-311G(d, p) levels of theory. We brought the proposed molecular structures to a stable minimum. We determined the global reactivity descriptors through chemical potential, hardness, softness, and index of electrophilicity. Besides, the maps of electrostatic potential were generated. We found that the hydroxyl and epoxy functional groups dope the graphene molecule in p-type and n-type forms, respectively. In addition, we could attribute the increases of the oxide coverage and the chemical potential to the softness of the molecule. These results suggest that structures with this type of doping can help in developing advanced electronics of sensors and devices.

Estudio del efecto inhibitorio de extractos de Salvia scutellarioides sobre la actividad de la enzima convertidora de angiotensina / Study of the inhibitory effect of Salvia scutellarioides extracts on the activity of the angiotensin-converting enzyme / Estudo do efeito inibitório de extratos de Salvia scutellarioides sobre a atividade da enzima conversora de angiotensina

Objetivo. Identificar los grupos de metabolitos secundarios de la Salvia scutellarioides presentes en la fracción que presenta un mayor efecto inhibitorio sobre la actividad de la enzima convertidora de angiotensina (ACE). Materiales y métodos. Se empleó material vegetal seco con el que inicialmente se prepararon extractos etanólicos, luego estos se concentraron y se separaron por cromatografía en columna en diferentes polaridades (éter de petróleo, diclorometano, éter etílico y etanol). Posteriormente se aisló tejido pulmonar de ratas Wistar, el cual fue disgregado y sometido a centrifugación para separar el material soluble. Se separaron las proteínas encontradas en el sobrenadante empleando una columna de Sephacryl; se realizó un pool con las fracciones que presentaron actividad frente al sustrato de la ACE Hippuril-L-histidyl-L-leucine. Con este extracto enzimático fue posible medir el efecto de los extractos vegetales obtenidos de la Salvia scutellarioides sobre la actividad de la ACE. Resultados. La fracción de acetato de etilo (T2) fue la que mostró un mayor efecto inhibitorio sobre la actividad de la ACE. Los metabolitos encontrados en la fracción de T2 fueron: taninos, glicosidos cardiotónicos, cumarinas y quinonas. Conclusión. Se determinó el efecto antihipertensivo para la especie en estudio, por medio de la inhibición de la actividad de la ACE; de igual manera se identificaron varios grupos de metabolitos secundarios presentes en el extracto de T2 que podrían ser los responsables de tal efecto.

Objective. To identify groups of secondary metabolites of Salvia scutellarioides present in the fraction with the greatest inhibitory effect on the activity of the angiotensin-converting enzyme (ACE). Materials and methods. Dry plant material was used to prepare ethanolic extracts that were then concentrated and separated by column chromatography using solvents of different polarity (petroleum ether, dichloromethane, diethyl ether and ethanol). Subsequently, lung tissue isolated from Wistar rats was broken and centrifuged in order to separate the soluble material. Proteins found in the supernatant were separated using a Sephacryl column; a pool was made with the fractions that showed activity with hippuryl-L-histidyl-L-leucine (HHL), the substrate of the ACE. This enzyme extract was used to measure the effect of plant extracts obtained from S. scutellarioides on the ACE activity. Results: The fraction of ethyl acetate (T2) showed a greater inhibitory effect on the ACE activity. Metabolites found in T2 fraction were: tannins, cardiac glycosides, coumarins, and quinones. Conclusion. An antihypertensive effect was found for the plant species Salvia scutellarioides by studying the inhibitory effect on the ACE activity. Several groups of secondary metabolites present in the T2 fraction were identified, which could be responsible for this effect.

Objetivo. Identificar os grupos de metabólitos secundários de Salvia scutellarioides presentes na fração que tem um maior efeito inibitório sobre a atividade da enzima conversora de angiotensina (ECA). Materiais e métodos. Foi utilizado material vegetal seco com o qual inicialmente prepararam-se os extratos etanólicos, depois, estes se concentraram e foram separados por cromatografia em coluna em diferentes polaridades (éter de petróleo, diclorometano, éter etílico e etanol). Posteriormente, foi isolado tecido pulmonar de ratos Wistar, o qual foi desagregado e centrifugado para separar o material solúvel. Foram separadas as proteínas presentes no sobrenadante utilizando uma coluna de Sephacryl; realizou-se um pool com as frações que apresentaram atividade contra o substrato da ACE Hippuril-L-histidil-L-leucine. Com este extrato enzimático foi possível medir o efeito de extratos vegetais obtidos da Salvia scutellarioides sobre a atividade da ACE. Resultados. A fração de acetato de etilo (T2) foi a que apresentou maior efeito inibitório na atividade da ACE. Os metabolitos encontrados na fração do T2 foram: taninos, glicosídeos cardiotónicos, cumarinas e quinonas. Conclusão. Foi determinado o efeito anti-hipertensivo para a espécie em estudo, através da inibição da atividade da ACE, também foram identificados vários grupos de metabólitos secundários presentes no extrato de T2 que poderiam ser responsáveis por este efeito.

Transnationalism as a motif in family stories.

Family stories have long been recognized as a vehicle for assessing components of a family's emotional and social life, including the degree to which an immigrant family has been willing to assimilate. Transnationalism, defined as living in one or more cultures and maintaining connections to both, is now increasingly common. A qualitative study of family stories in the family of those who appear completely "American" suggests that an affiliation with one's home country is nevertheless detectable in the stories via motifs such as (1) positively connotated home remedies, (2) continuing denigration of home country "enemies," (3) extensive knowledge of the home country history and politics, (4) praise of endogamy and negative assessment of exogamy, (5) superiority of home country to America, and (6) beauty of home country. Furthermore, an awareness of which model--assimilationist or transnational--governs a family's experience may help clarify a clinician's understanding of a family's strengths, vulnerabilities, and mode of framing their cultural experiences.