Understanding catalytic reactions over zeolites: A density functional theory study of selective catalytic reduction of NOX by NH3 over Cu-SAPO-34

Metal exchanged CHA-type (SAPO-34 and SSZ-13) zeolites are promising catalysts for selective catalytic reduction (SCR) of NOx by NH3. However, the understanding of the process at the molecular level is still limited, which hinders the identification of its mechanism and the design of more efficient zeolite catalysts. In this work, modelling the reaction over Cu-SAPO-34, a periodic density functional theory (DFT) study of NH3-SCR was performed using hybrid functional with the consideration of van der Waals (vdW) interactions. A mechanism with a low N–N coupling barrier is proposed to account for the activation of NO. The redox cycle of Cu2+ and Cu+, which is crucial for the SCR process, is identified with detailed analyses. Besides, the decomposition of NH2NO is shown to readily occur on the Brønsted acid site by a hydrogen push-pull mechanism, confirming the collective efforts of Brønsted acid and Lewis acid (Cu2+) sites. The special electronic and structural properties of Cu-SAPO-34 are demonstrated to play an essential role the reaction, which may have a general implication on the understanding of zeolite catalysis.

IL-34- and M-CSF-induced macrophages switch memory T cells into Th17 cells via membrane IL-1α: Immunomodulation

International audience

¿Y qué misterio tendrá el número siete ? hoy a las 12:34: 56 del 7/8/90, la secuencia perfecta : cábalas para el presidente Gaviria

Fondo Margaritainés Restrepo

Prevalencia y factores de riesgo de infección por estreptococo grupo b en mujeres embarazadas de 34 a 41 semanas del servicio de obstetricia Hospital Vicente Corral Moscoso 2006

La infección por estreptococo del grupo B (GBS) es la principal causa de infección bacteriana y mortalidad por sepsis en los recién nacidos. La transmisión hacia el producto se da durante el trabajo de parto, a más de la mortalidad neonatal las secuelas neurológicas son importantes consecuencias de la infección por GBS, por lo tanto la detección y tratamiento oportuno debe realizarse en forma rutinaria. El objetivo de la presente investigación, es detectar la prevalencia de infección por GBS en embarazadas entre 34 a 41 semanas, y los factores que podrían estar asociados a la infección. En el presente estudio la prevalencia encontrada de EGB fue del 15,9. Los factores de riesgo mas importantes encontrados fueron: la edad de 19 a 35 años, el estado civil casada, vivir en medio urbano, la ocupación quehaceres domésticos, el inicio de vida sexual temprana, tener mas de 1 compañero sexual, la multiparidad antecedente de infección urinaria en el embarazo. El hecho de mantener relaciones anales u orales no fue causa significativa de infección de EGB

Resolución 34 del 29 de febrero de 2008: ¿Tiene la Cámara de Comercio la competencia para pronunciarse respecto la calidad de accionista? ¿Cuál es el medio idóneo para verificar el quórum en una reunión de asamblea de accionistas?

Servicios registrales

Executive order no. 2016-34

This executive order by Governor Nikki R. Haley rescinds the evacuation provisions for Berkeley, Charleston, Colleton and Dorchester counties as set forth in Executive Orders 2016-31 and 2016-33, effective at 10 AM, October 9, 2016.

Opinions of the Supreme Court and Court of Appeals of South Carolina advance sheet no. 34

The Clerk of Court’s Office publishes the South Carolina Advance Sheets that contain the published opinions and orders of the Supreme Court and the Court of Appeals, along with notices, rule changes and other documents of general interest

The extracurriculum in an input-poor environment

This paper reports on the experiences of an extracurricular program in English language learning (ELL) that was implemented in an institute of technology in the hinterland of the People's Republic of China (PRC). Following the guidelines set out in an impact study of the reform of curriculum change in Hong Kong (Adamson & Morris, 2000), this study takes account of the context of the particular socio-cultural and political environment in which the research program takes place. Three distinct phases emerged in the career of the extracurricular program - the establishment of the program; successful implementation; and the decline. The study identifies three key factors that shaped these phases: teacher motivation; student motivation and its various influences; and available resources (including collegial and administrative support). The findings suggest that of the key factors impacting on the ELL extracurriculum, student motivation was the most influential.