We study how the results of molecular dynamics (MD) simulations are affected by various choices during the setup, e.g., the starting velocities, the solvation, the location of protons, the conformation of His, Asn, and Gln residues, the protonation and titration of His residues, and the treatment of alternative conformations. We estimate the binding affinity of ligands to four proteins calculated

In this paper, we propose a novel method for estimating the locations of near- and/or far-field harmonic audio sources impinging on an arbitrary, but calibrated, sensor array. Using a joint pitch and location estimation formed in two steps, we first estimate the fundamental frequencies and complex amplitudes under a sinusoidal model assumption, whereafter the location of each source is found by ut

We report the first experiment carried out on an in situ setup, which allows for detection of CO(2) from catalytic CO oxidation close to a model catalyst under realistic reaction conditions by the means of planar laser-induced fluorescence (PLIF) in the mid-infrared spectral range. The onset of the catalytic reaction as a function of temperature was followed by PLIF in a steady state flow reactor.

A rotating target consisting of helium-cooled tungsten has been chosen for the European Spallation Source (ESS) facility to be built in Lund. Thermo-mechanical cycling due to the incidence of the proton beam every 2 s on any given tungsten slab in the rotating wheel could lead to crack formation and failure over the lifetime of the target. This work reports tensile and fatigue data obtained at roo

Correspondence problems are of great importance in computer vision. They appear as subtasks in many applications such as object recognition, merging partial 3D reconstructions and image alignment. Automatically matching features from appearance only is difficult and errors are frequent. Thus, it is necessary to use geometric consistency to remove incorrect correspondences. Typically heuristic meth

Supplemental Instruction (SI) is today a well known academic assistance program, providing help for students in “difficult” courses at colleges and universities. Little attention has been paid however to the possibility of also implementing the SI program in upper secondary school. In this study we present qualitative results from such an SI program in a Swedish setting. Here, students from the fa

Apolipoprotein A-I (apoA-I) is the main protein involved in the formation of high-density lipoprotein (HDL), it is the principal mediator of the reverse cholesterol transfer (RCT) pathway and provides cardio-protection. In addition to functional wild-type apoA-I, several variants have been shown to associate with hereditary amyloidosis. In this study we have performed biophysical and biochemical a

This paper analyses data on occupants׳ movement on stair landings collected during an evacuation drill performed in a six-storey office building in the United States. A total of 215 occupant travel path trajectories were filmed and time on the stair landings and egress behaviours were analysed. Data were analysed using a probabilistic approach, i.e., the probability of different occupant travel pa

Väl fungerande bytespunkter är viktiga för kollektivtrafikens konkurrenskraft. Själva bytet, som är en del av varje resa, kan upplevas som en stor del av reskedjan, varför det är viktigt att bytestiden minimeras men även att bytespunkten erbjuder så hög komfort- och servicenivå som möjligt. Våra kunskaper om vilka kvaliteter som är viktiga i bytespunkter samt hur viktiga dessa är i förhållande til

Internationally comparable quality assurance of Human Papillomavirus (HPV) DNA detection and typing methods is essential for evaluation of HPV vaccines and effective monitoring and implementation of HPV vaccination programs. Therefore, the World Health Organisation (WHO) HPV Laboratory Network (LabNet) designed an international proficiency study. Following announcement at the WHO website, respondi

There are two theories that attempt to explain how attention is deployed when lines are traced. Initially, it was believed that a covert zoom lens moved along the line. Recent evidence has, however, suggested that attention spreads along the line, rather than moving along it, perhaps as part of an effortful object-parsing process. Three experiments tested the spreading and moving accounts of line

This study describes for the first time the expression levels of genes encoding membrane transporters and drug-metabolizing enzymes in the lungs of ex-smoking patients with chronic obstructive pulmonary disease (COPD). Membrane transporters and drug-metabolizing enzymes are key determinants of drug uptake, metabolism, and elimination for systemically administered as well as inhaled drugs, with con

The Centre party weathered what amounted to an almost existential mid-term public opinion crisis, to end up outperforming its coalition partners in the 2014 general election. Although it too fell back, it shed a notable proportion of tactical support voters, and actually increased its share of genuine, first-preference, voters. The Centre party has revisited and refreshed its ideological foundatio

In vivo gene transfer using viral vectors is an emerging therapy for neurodegenerative diseases with a clinical impact recently demonstrated in Parkinson's disease patients. Recombinant adeno-associated viral (rAAV) vectors, in particular, provide an excellent tool for long-term expression of therapeutic genes in the brain. Here we used the [C-11] raclopride [(S)-(-)-3,5-dichloro-N-((1-ethyl-2-pyr

Purpose: To investigate the characteristics and change in use among very old Swedish users and non-users of assistive devices (ADs) for mobility and personal care, over a six-year period, and to investigate factors predicting AD use over a six-year period. Method: Descriptive statistics and logistic regression were used to analyse quantitative data from a subsample from the Swedish part of the

The introduction, establishment and spread of alien species is a major threat to biodiversity and the provision of ecosystem services for human wellbeing. In order to reduce further loss of biodiversity and maintain productive and sustainable ecosystems, understanding the ecological mechanisms underlying species invasions and avoiding potentially harmful effects on native communities is urgently n

Studies to date on ferromagnet/d-wave superconductor heterostructures focus mainly on the effects at or near the interfaces while the response of bulk properties to heterostructuring is overlooked. Here we use resonant soft x-ray scattering spectroscopy to reveal a novel c-axis ferromagnetic coupling between the in-plane Cu spins in YBa2Cu3O7-x (YBCO) superconductor when it is grown on top of ferr

We demonstrate InGaAs multigate MOSFETs, so-called FinFETs. The lateral nanowires constituting the channel in these devices have been formed using selective area regrowth, where the surfaces of the nanowires are crystallographic planes. L-g = 32 nm devices exhibit peak transconductance of 1.8 mS/mu m at V-ds = 0.5 V. We also report on RF characterization of these devices. A small-signal hybrid-p m