Role of quantum nuclei and local fields in the x-ray absorption spectra of water and ice

We calculate the x-ray absorption spectra of liquid water at ambient conditions and of hexagonal ice close to melting, using a static GW approach that includes approximately local field effects. Quantum dynamics of the nuclei is taken into account by averaging the absorption cross section over molecular configurations generated by path integral simulations. We find that inclusion of quantum disorder is essential to bring the calculated spectra in close agreement with experiment. In particular, the intensity of the pre-edge feature, a spectral signature of broken and distorted hydrogen bonds, is accurately reproduced, in water and ice, only when quantum nuclei are considered. The effect of the local fields is less important but non negligible, particularly in ice

Don't Repeat Yourself: Seamless Execution and Analysis of Extensive Network Experiments

This paper presents MACI, the first bespoke framework for the management, the scalable execution, and the interactive analysis of a large number of network experiments. Driven by the desire to avoid repetitive implementation of just a few scripts for the execution and analysis of experiments, MACI emerged as a generic framework for network experiments that significantly increases efficiency and ensures reproducibility. To this end, MACI incorporates and integrates established simulators and analysis tools to foster rapid but systematic network experiments. We found MACI indispensable in all phases of the research and development process of various communication systems, such as i) an extensive DASH video streaming study, ii) the systematic development and improvement of Multipath TCP schedulers, and iii) research on a distributed topology graph pattern matching algorithm. With this work, we make MACI publicly available to the research community to advance efficient and reproducible network experiments

Trading gains: new estimates of Swiss GDP,1851 to 2008

This paper revises Swiss GDP emphasizing the difference between single and double deflation, which depends on trading gains: i.e. gains from terms of trade and from the real exchange rate. These gains contributed significantly to Swiss economic growth between 1930 and 1990. Earlier series of Swiss GDP have neglected trading gains. In backward projections, this leads to overestimation of GDP (per capita) levels. The Maddison database (Bolt & Zanden 2014), for example, suggests that Swiss GDP per capita was 38 percent above that of the USA in 1875. My series shows that Swiss GDP per capita was still below the Western European averag

A Qualitative Study of the Relationship Between Personal Resources and Nursing Home Admissions

The purpose of this study was to investigate the relationship of personal resources, primarily financial for the elderly and chronically ill populations in nursing home admissions. There is extensive research done on nursing homes and the elderly but little is known about the factors that contribute to nursing home admissions. This study uses qualitative data to gather themes from the three elderly and chronically ill individuals over and under the age of 65. To simplify the study all ages under the age of 65 is a group and all ages over the age of 65 was considered another group. It also uses data gathered from one social worker specializing in geriatrics. The study will also gathered survey information from 37 Hennepin County social workers and 30 Benedictine Corporation social workers gathering their professional opinions regarding resources and nursing home admissions. Together, the information gathered from personal stories and professional data is used together and will assist in answering the research question of: The relationship between personal resources and nursing home admissions. The study shows definite factors such as finance, housing. and support of family and friends contributing to the elderly and chronically ill being admitted into nursing homes. The information given by participants also gives factors an elderly and chronically ill person stays out of a nursing facility. The data collected from the participates, is vital to professionals now investigating the crisis in health care, given the shortage of nurses and adequate options for the elderly arid chronically ill. It will give important insight to reasons and ways to assist the elderly in their older years. Implications for social work practice and policy are discussed

Proteomic analysis of the Endoplasmic Reticulum of developing castor bean seeds - Testing the feasibility of ER membrane topology elucidation using a sample of purified ER

An Endoplasmic Reticulum (ER) membrane topology elucidation experiment involving ER purified according to Simon et al. [2] was thought to identify yet unknown, tri‐ricinoleate biosynthetic enzymes via elucidation of membrane topology and identification of membrane associated proteins. This thesis aims at testing the feasibility of an ER membrane topology elucidation experiment using purified castor bean seed ER prepared according to Simon et al [2]. In a bioinformatics approach, proteins identified in a Multidimensional Protein Identification Technology (MudPIT) experiment of an ER preparation from castor bean seeds were compared to predicted ER localised proteins, thus validating the prediction algorithms, as well as verifying possible contaminations of the ER preparation. Antibodies against identified organelle marker proteins were used in quantitative Western Blot analysis to confirm the degree of purification and contamination. Relative comparison of developing endosperm castor bean ER (dER) preparation with a developing endosperm homogenate showed that, when using anti‐oleate Δ 12‐hydroxylase (an ER marker protein) antibodies, purification of 58x ER had occurred. When using an anti‐VDAC (a mitochondrial marker protein) antibody, a relative quantitation showed that VDAC was 10 x more concentrated in a dER prep than in homogenate. Unlike in previous experiments where mitochondria were purified and 327 mitochondrial proteins were discovered, only 13 could be identified in a MudPIT experiment on Ricinus communis ER, thus it can be concluded that mitochondria did not co‐purify with dER. The ER preparation was then imaged under a Scanning Electron Microscope. 3 different visualisation techniques were developed to ensure that pictures reflect the original ER preparation state. Vesicles were far more numerous than complex structures. Taking into account the thermodynamics of membranes, it can be said the ER preparation by Simon et al. [2] does not consist of whole ER, but rather ER vesicles