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Min forskning handler om ledelse og hvordan leder kan legge til rette for lærernes læring og forståelse for, og utvikling og deltakelse i det profesjonelle læringsfellesskapet og skolen som organisasjo

In Silico screening for functional candidates amongst hypothetical proteins

<p>Abstract</p> <p>Background</p> <p>The definition of a hypothetical protein is a protein that is predicted to be expressed from an open reading frame, but for which there is no experimental evidence of translation. Hypothetical proteins constitute a substantial fraction of proteomes of human as well as of other eukaryotes. With the general belief that the majority of hypothetical proteins are the product of pseudogenes, it is essential to have a tool with the ability of pinpointing the minority of hypothetical proteins with a high probability of being expressed.</p> <p>Results</p> <p>Here, we present an <it>in silico </it>selection strategy where eukaryotic hypothetical proteins are sorted according to two criteria that can be reliably identified <it>in silico</it>: the presence of subcellular targeting signals and presence of characterized protein domains. To validate the selection strategy we applied it on a database of human hypothetical proteins dating to 2006 and compared the proteins predicted to be expressed by our selecting strategy, with their status in 2008. For the comparison we focused on mitochondrial proteins, since considerable amounts of research have focused on this field in between 2006 and 2008. Therefore, many proteins, defined as hypothetical in 2006, have later been characterized as mitochondrial.</p> <p>Conclusion</p> <p>Among the total amount of human proteins hypothetical in 2006, 21% have later been experimentally characterized and 6% of those have been shown to have a role in a mitochondrial context. In contrast, among the selected hypothetical proteins from the 2006 dataset, predicted by our strategy to have a mitochondrial role, 53-62% have later been experimentally characterized, and 85% of these have actually been assigned a role in mitochondria by 2008.</p> <p>Therefore our <it>in silico </it>selection strategy can be used to select the most promising candidates for subsequent <it>in vitro </it>and <it>in vivo </it>analyses.</p

Hydration of Atmospheric Molecular Clusters III : Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters

Sampling the shallow free energy surface of hydrated atmospheric molecular clusters is a significant challenge. Using computational methods, we present an efficient approach to obtain minimum free energy structures for large hydrated clusters of atmospheric relevance. We study clusters consisting of two to four sulfuric acid (sa) molecules and hydrate them with up to five water (w) molecules. The structures of the "dry" clusters are obtained using the ABCluster program to yield a large pool of low-lying conformer minima with respect to free energy. The conformers (up to ten) lowest in free energy are then hydrated using our recently developed systematic hydrate sampling technique. Using this approach, we identify a total of 1145 unique (sa)(2-4)(w)(1-5) cluster structures. The cluster geometries and thermochemical parameters are calculated at the omega B97X-D/6-31++G(d,p) level of theory, at 298.15 K and 1 atm. The single-point energy of the most stable clusters is calculated using a high-level DLPNO-CCSD(T-0)/aug-cc-pVTZ method. Using the thermochemical data, we calculate the equilibrium hydrate distribution of the clusters under atmospheric conditions and find that the larger (sa)(3) and (sa)(4) clusters are significantly more hydrated than the smaller (sa)(2) cluster or the sulfuric acid (sa)(1) molecule. These findings indicate that more than five water molecules might be required to fully saturate the sulfuric acid clusters with water under atmospheric conditions. The presented methodology gives modelers a tool to take the effect of water explicitly into account in atmospheric particle formation models based on quantum chemistry.Peer reviewe

Mental health and health related quality of life in mitochondrial POLG disease

We aimed to assess the impact of POLG disease on mental health and quality of life in 15 patients using the Symptom Checklist-90-R (SCL-90-R)and Short-Form 36 HealthSurvey (RAND-36). Wefound increased scores in all nine subscales of SCL-90-R, particularly phobic anxiety, depression and somatization. Further, patients reported considerably lower scores in all RAND-36 domains. This study revealed a global decline in mental health and poor quality of life in patients with POLG disease and highlights the need for increased awareness andsystematic assessment in order to improve their quality of life and mental health