In this work, we employ density functional theory to assign vibrational signatures of [FeFe]-hydrogenase intermediates to molecular structures. For this purpose, we perform an exhaustive analysis of structures and harmonic vibrations of a series of CN and CO containing model clusters of the [FeFe]-hydrogenase enzyme active site considering also different charges, counterions, and solvents. The pur

The state of the art for large database object retrieval in images is based on quantizing descriptors of interest points into visual words. High similarity between matching image representations (as bags of words) is based upon the assumption that matched points in the two images end up in similar words in hard assignment or in similar representations in soft assignment techniques. In this paper w

We introduce a density functional formalism to study the ground-state properties of strongly correlated dipolar and ionic ultracold bosonic and fermionic gases, based on the self-consistent combination of the weak and the strong coupling limits. Contrary to conventional density functional approaches, our formalism does not require a previous calculation of the interacting homogeneous gas, and it i

Parkinson disease (PD) is characterized by loss of the A9 nigral neurons that provide dopaminergic innervation to the striatum. This discovery led to the successful instigation of dopaminergic drug treatments in the 1960s, although these drugs were soon recognized to lose some of their efficacy and generate their own adverse effects over time. Despite the fact that PD is now known to have extensiv

Abstract in UndeterminedThis article considers a distribution inventory system consisting of N retailers and a regional support warehouse, all being replenished from a central warehouse/outside supplier. For the case where stock-outs occur, the retailers receive transshipments from the support warehouse at an extra cost. A model is presented for cost evaluation and optimization of the reorder poin

The aim of this study was to investigate the association between smoking and bone mineral density (BMD) and radiographically verified prevalent vertebral fractures and incident fractures in elderly men. At baseline 3003 men aged 69 to 80 years of age from the Swedish Mr Os Study completed a standard questionnaire concerning smoking habits and had BMD of the hip and spine measured using dual-energy

Cancer of unknown primary (CUP) is a heterogeneous syndrome diagnosed at metastatic sites. The etiology is unknown but immune dysfunction may be a contributing factor. Patients with autoimmune diseases were identified from the Swedish Hospital Discharge Register and linked to the Swedish Cancer Registry. Standardized incidence ratios (SIRs) were calculated for subsequent CUP and compared with subj

We dispute the claim by Alexeev (2010) that the numerous fossil meteorites found in mid-Ordovician sediments in southern Sweden can be explained by a single large meteorite shower some 470 million years ago, and-in particular-that the reported variable cosmic ray exposure ages derived from cosmogenic Ne-21 in chromite grains extracted from the fossil meteorites actually reflect variable contributi

Background: Adjusting medication for uncontrolled asthma involves selecting one of several options from the same or a higher treatment step outlined in asthma guidelines. We examined the relative benefit of introducing budesonide/formoterol (BUD/FORM) maintenance and reliever therapy (Symbicort SMART (R) Turbuhaler (R)) in patients previously prescribed treatments from Global Initiative for Asthma

Mutations in the BRCA1 gene substantially increase a woman's lifetime risk of breast cancer. However, there is great variation in this increase in risk with several genetic and non-genetic modifiers identified. The BRCA1 protein plays a central role in DNA repair, a mechanism that is particularly instrumental in safeguarding cells against tumorigenesis. We hypothesized that polymorphisms that alte

Most individuals who learn about hereditary cancer manage well, but identification of subgroups who find this knowledge burdening would allow psychosocial intervention. The objective of the study was to assess sense of coherence (SOC) in individuals with Lynch syndrome with comparison to a general population and correlation to self-concept.

To assess older age as a prognostic factor in patients resuscitated from out-of-hospital-cardiac arrest (OHCA) and the interaction between age and level of target temperature management.

Environmental regulations are continuously pushing lower emissions with an impact on the combustion process in gas turbines (GTs). As a consequence, GT combustors operate in very lean regimes (i. e., at relatively low temperature) to reduce NOx formation. Unfortunately, stabilization becomes a challenge for these lean premixed flames. The extremely unsteady dynamics of swirl stabilized flames pres

Denkpsychologie has been important for the development of psychology as well as of philosophy during the last century. More specifically, cognitive psychology as well as Karl Popper's evolutionary epistemology were both influenced by Otto Selz's cognitive psychology. Without doubt, Selz played a role in the development of Popper's thinking, but Michel ter Hark has not given convincing evidence for

H-2 NMR experiments on a nonionic oriented lamellar phase demonstrate that shear flow induces structural defects in the lamellar structure. These substantial structural changes give rise to a transition from a viscous to a solidlike behavior; the elastic modulus of presheared samples was found to increase, reversibly, with the applied preshear rate. A similar behavior was found when step-cycling t

Forearm amputees often experience non-painful sensations in their phantom when the amputation stump is touched. Cutaneous stimulation of specific stump areas may be perceived as stimulation of specific phantom fingers (stump hand map). The neuronal basis of referred phantom limb sensations is unknown. We used functional magnetic resonance imaging to demonstrate a somatotopic map of the phantom fin

Surface states and traps play an important role in the photophysics of colloidal quantum dots. These states typically lead to large red-shifted photoluminescence. We have used steady-state and time-resolved spectroscopic techniques to investigate the nature of the traps and their lifetimes in colloidal CdSe quantum dots. We conclude that at least two different types of traps contribute to the phot

1. The mechanisms driving nonrandom assembly patterns in plant communities have long been of interest in ecological research. Competing ecological theories predict that coexisting species may either be more functionally dissimilar than expected by chance (with functional divergence' mainly reflecting niche differentiation) or be functionally more similar than expected (with functional convergence'

A vision and one of the next challenges in nanoelectronics is the 3D integration of nanowire building blocks. Here we show that capillary forces associated with a liquid-air meniscus between two nanowires provides a simple, controllable technique to bend vertical nanowires into designed, interconnected assemblies. We characterize the electric nature of the junctions between crossed nanowires in a

Enrichment of rare cells from peripheral blood has emerged as a means to enable noninvasive diagnostics and development of personalized drugs, commonly associated with a prerequisite to concentrate the enriched rare cell population prior to molecular analysis or culture. However, common concentration by centrifugation has important limitations when processing low cell numbers. Here, we report on a