Filetype
We have estimated the activation energy for aromatic oxidation by compound I in cytochrome P450 for a diverse set of 17 substrates using state-of-the-art density functional theory (B3LYP) with large basis sets. The activation energies vary from 60 to 87 kJ/mol. We then test if these results can be reproduced by computationally less demanding methods. The best methods (a B3LYP calculation of the ac
Organometal halide (OMH) perovskites have attracted lots of attention over the last several years due to their very promising performance as the materials for solar cells and light-emitting devices. Photophysical processes in these hybrid organic inorganic semiconductors are still heavily debated. To know precise absorption spectra is absolutely necessary for quantitative understanding of the fund
Protein dynamics on the micro- to millisecond time scale is increasingly found to be critical for biological function, as demonstrated by numerous NMR relaxation dispersion studies. Methyl groups are excellent probes of protein interactions and dynamics because of their favorable NMR relaxation properties, which lead to sharp signals in the H-1 and C-13 NMR spectra. Out of the six different methyl
Sustainability is becoming an important factor to consider while buying different products such as outdoor equipment and vehicle accessories. Also there is a growing awareness that business side should take an important role in promotion of sustainable consumer behaviour. This paper investigates sustainable consumer behaviour in general and in relation to outdoor equipment and vehicle accessories
This report is about the housing situation in Manila, capital of the Philippines. 25% of the inhabitants in this mega city live in informal settlements, often on places unsuitable for living. The target area of this paper is Baseco, a large slum area near the outlet of Pasig River and home to 47 000 people according to the 2002 census. Among its many problems including overpopulation and poverty i
In our contemporary age, the name praise song has got a special meaning, roughly defined as: a song consisting of a rather short text that is sung over and over again, set to music in some contemporary popular style, directed by a worship leader, and accompanied by a team with instruments that may be unusual in church, as el-guitars and drums. The phenomenon is described and critically evaluated.
Although estrogen receptor-alpha (ERalpha) is a marker used to identify breast cancer patients most likely to benefit from endocrine therapy, approximately 50% of ERalpha-positive breast carcinomas are resistant to tamoxifen. Preclinical studies have shown that phosphorylation of ERalpha at serine-118 (ERalphaS118-P) is required for tamoxifen-mediated inhibition of ERalpha-induced gene expression.
We show for the oppositely charged system poly(diallyldimethylammonium chloride)/sodium dodecyl sulfate that the cliff edge peak in its surface tension isotherm results from the comprehensive precipitation of bulk complexes into sediment, leaving a supernatant that is virtually transparent and a depleted adsorption layer at the air/water interface. The aggregation and settling processes take about
The chemokine CCL25 is selectively and constitutively expressed in the small intestinal epithelium and plays an important role in mediating lymphocyte recruitment to this site. In this study, we demonstrate that CCL25 expression in murine small intestinal epithelial cells is independent of signaling through the lymphotoxin 0 receptor and is not enhanced by inflammatory stimuli, pathways involved i
The variable regions of allergen-specific IgE, the isotype mediating allergic responses, are poorly defined to date. In this study we define the character of human antibody binding sites recognizing Phl p 2, a major allergen from timothy grass pollen. Independently raised specificities developed by phage display technology tended to have common sequence motifs (idiotypes), such as IGHV4-31 germlin
