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

Background: With the rapid development of new genetic measurement methods, several types of genetic alterations can be quantified in a high-throughput manner. While the initial focus has been on investigating each data set separately, there is an increasing interest in studying the correlation structure between two or more data sets. Multivariate methods based on Canonical Correlation Analysis (CC

Popular Abstract in Swedish Diarré är ett vanligt symptom i befolkningen och det finns många differentialdiagnoser bakom orsaken till detta. En är inflammatorisk tarmsjukdom, något som har ökat kraftigt de senaste decennierna. Idag beräknar man att ca 1% av befolkningen har någon form av inflammatorisk tarmsjukdom och den klassas därför som en folksjukdom i Sverige. De inflammatoriska tarmsjukdomCollagenous colitis (CC) affects middle-aged women and results in chronic watery non-bloody diarrhoea. The incidence of CC has increased but has never been determined in southern Sweden. During the period 2001-2010 the mean annual incidence was stable; 5.4/105 (median age 71 years). The female: male ratio was 2.8:1, lower than in previous reports. The association between smoking and classic IBD is

Introduction: Knowledge of longitudinal progression in mild Alzheimer’s disease (AD) is required for the evaluation of disease-modifying therapies. Our aim was to observe the effects of long-term cholinesterase inhibitor (ChEI) therapy in mild AD patients in a routine clinical setting. Methods: This was a prospective, open-label, non-randomised, multicentre study of ChEI treatment (donepezil, riva

Despite its OECD membership and transformation from aid recipient into a major donor of official development assistance (ODA), Japan has long been criticized for pursuing commercial interests through its infrastructure-focused ODA, which has heavily relied on its own corporate private sector for implementation. Throughout the last two decades, institutional reforms have altered the structure and p

When selecting the least biased exposure surrogate, for example, the concentration of a biomarker in a urine sample, information on variability must be taken into consideration. We used mixed-effects models to estimate the variability and determinants of urinary cadmium (U-Cd) excretion using spot urine samples collected at six fixed times during 2 days about 1 week apart, from 24 healthy non-smok

Background: Arsenic is mono- (MMA) and dimethylated (DMA) in humans and the methylation pattern demonstrates large inter-individual differences. The fraction of urinary MMA is a marker for susceptibility to arsenic-related diseases. Objectives: The impact of polymorphisms in five methyltransferase genes on arsenic metabolism was evaluated in two populations, one in South America, one in southeast

Recently, two common sequence variants on 9p21, tagged by rs10757278-G and rs10811661-T, were reported to be associated with coronary artery disease (CAD)(1-4) and type 2 diabetes (T2D)(5-7), respectively. We proceeded to further investigate the contributions of these variants to arterial diseases and T2D. Here we report that rs10757278-G is associated with, in addition to CAD, abdominal aortic an

Conclusion: PET-CT scans seem to be sufficient to rule out residual tumour at the primary site. Patients with positive or equivocal PET findings should be scheduled for endoscopy with biopsy or a second PET-CT scan. Objectives: Assessment of remission at the primary site, in patients treated with organ preservation therapy with curative intent, is important to identify residual tumours requiring t

Abstract is not available

Brain natriuretic peptide (BNP) is normally present in low levels in the circulation, but it is elevated in parallel with the degree of congestion in heart failure subjects (CHF). BNP has natriuretic effects and is a potent vasodilator. It is suggested that BNP could be a therapeutic alternative in CHF. However, we postulated that the high levels of circulating BNP in CHF may downregulate the resp

This research programme focuses on Democracy and Public Administration, with an emphasis on making democratic institutions better fit to handle contested issues through the use of insights from Peace and Conflict Studies. We are interested in public administration’s role in addressing and (possibly) resolving contested issues and conflicts, in order to increase equality, strengthen processes of in

The mechanisms behind target vs. host cell recognition of the human antimicrobial peptide LL-37 remain ill-defined. Here, we have investigated the membrane disruption capacity of LL-37 using large unilamellar vesicles (LUVs) composed of varying mixtures of POPC, POPG and cholesterol to mimic target and host membranes respectively. We show that LL-37 is unable to induce leakage of entrapped calcein

This paper reviews the 25-plus year history of significant developments of the GENESIS shoreline response model. Topics discussed are line sources and sinks of sand, representation of shore-normal structures including natural sand bypassing, wave transmission by and shoreline response to shore-parallel structures, seawalls, migrating longshore sand waves, seasonal variation by cross-shore sand tra

This paper investigates the relationship between the body and leadership through a case study of a transgender leader. The study shows that the leader's body, presumed gender, and gendered appearance are salient markers that employees use to make sense of leaders and leadership, and that this gendered nature of leadership shows the deep roots of gender dichotomies and the heterosexual matrix that

Background. Histidine-tryptophan-ketoglutarate (HTK) has been established as an alternative to University-of-Wisconsin solution (UWS) for abdominal organ preservation, but data about HTK efficiency to preserve pancreata during prolonged cold ischemia time (CIT) are conflicting. In human islet transplantation, HTK provided similar isolation outcomes after short CIT. The present study aimed to inves

This study investigates the role of below-cloud evaporation and evapotranspiration for the short-term variability of stable isotopes in near-surface water vapor and precipitation associated with central European cold fronts. To this end, a combination of observations with high temporal resolution and numerical sensitivity experiments with the isotope-enabled regional weather prediction model COSMO