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In the present contribution, we report a theoretical investigation of the magnetic properties of the dihydrogen-evolving enzyme [FeFe]-hydrogenase, based on both DFT models of the active site (the H-cluster, a Fe6S6 assembly including a binuclear portion directly involved in substrates binding), and QM/MM models of the whole enzyme. Antiferromagnetic coupling within the H-cluster has been treated

The lack of attention to the role of emotions generally has led modern learning theories to neglect the importance of emulation as a pedagogical support to students’ learning. One reason could be that the influence of teacher personality is not considered in relation to learning outcome. Another reason may be that the concept of emulation has been used as a psychological conception for one-way tra

Glacial rebound modelling, to establish constraints on past ice sheets from the observational evidence of palaeo-shoreline elevations, is well established for the post- Last Glacial Maximum (post-LGM) period, for which the observational evidence is relatively abundant and well distributed spatially and in time. This is particularly the case for Scandinavia. For the earlier part of the glacial cycl

Stanley Micklavzina, a US physics educator on sabbatical, teams up with a Swedish national research laboratory, a synchrotron radiation experimental group and a university science centre to develop and create educational and public outreach projects. Descriptions of the physics, science centre displays and public demonstrations covering the physics principles involved in using photons and neutrons

We examined the associations of measured anthropometric factors, including general and central adiposity and height, with ovarian cancer risk. We also investigated these associations by menopausal status and for specific histological subtypes. Among 226,798 women in the European Prospective Investigation into Cancer and Nutrition (EPIC) cohort, there were 611 incident cases of primary, malignant,

Intergovernmental Panel on Climate Change (IPCC) Tier 1 methodologies commonly underpin project-scale carbon accounting for changes in land use and management and are used in frameworks for Life Cycle Assessment and carbon footprinting of food and energy crops. These methodologies were intended for use at large spatial scales. This can introduce error in predictions at finer spatial scales. There

A direct numerical simulation (DNS) coupling with multi-zone chemistry mapping (MZCM) is presented to simulate flame propagation and auto-ignition in premixed fuel/air mixtures. In the MZCM approach, the physical domain is mapped into a low-dimensional phase domain with a few thermodynamic variables as the independent variables. The approach is based on the fractional step method, in which the flo

Until recently, synonymous mutations (which do not change amino acids) have been much neglected. Some evidence suggests that this kind of mutations could affect mRNA secondary structure or stability, translation kinetics and protein structure. To explore deeper the role of synonymous mutations, we studied their consequence on the functional activity of the estrogen receptor alpha (ERα). The ERα is

Viremia during human immunodeficiency virus type-1 (HIV-1) infection results in progressive impairment of several components of the immune system. Here a unique model of repeated treatment interruptions (TIs) was used with the aim to reveal the effect of controlled short-term viremia on innate stimuli responsiveness and circulating dendritic cells (DCs). Sequential peripheral blood samples from HI

We provide new evidence on the long-run labor market penalty of teenage overweight and obesity using unique and large-scale data on 150,000 male siblings from the Swedish military enlistment. Our empirical analysis provides four important results. First, we provide the first evidence of a large adult male labor market penalty for being overweight or obese as a teenager. Second, we replicate this r

Receptor tyrosine kinases (RTKs) are a family of cell surface receptors that play critical roles in signal transduction from extracellular stimuli. Many in this family of kinases are overexpressed or mutated in human malignancies and thus became an attractive drug target for cancer treatment. The signaling mediated by RTKs must be tightly regulated by interacting proteins including protein-tyrosin

To determine if PET reporting criteria for the Response Adapted Treatment in Hodgkin Lymphoma (RATHL) trial could enable satisfactory agreement to be reached between 'core' laboratories operating in different countries. Four centres reported scans from 50 patients with stage II-IV HL, acquired before and after two cycles of Adriamycin/bleomycin/vinblastine/dacarbazine. A five-point scale was used

We prove that there are no three-dimensional bounded travelling gravity waves with constant non-zero vorticity on water of finite depth. The result also holds for gravity–capillary waves under a certain condition on the pressure at the surface, which is satisfied by sufficiently small waves. The proof relies on unique continuation arguments and Liouville-type results for elliptic equations.

The eastern European Dactylorhiza baltica (Klinge) N. I. Orlova and the western European D. pardalina (Pugsl.) Aver. (= D. praetermissa var. junialis (Verm.) Sengh) are usually considered to have non-overlapping geographic distributions, for which reason it has rarely been realized that they are morphologically similar. They have not previously been thoroughly compared by molecular methods, and no

Although Arctic tundra has been estimated to cover only 8% of the global land surface, the large and potentially labile carbon pools currently stored in tundra soils have the potential for large emissions of carbon (C) under a warming climate. These emissions as radiatively active greenhouse gases in the form of both CO2 and CH4 could amplify global warming. Given the potential sensitivity of thes

Macrophytes in shallow lakes have the potential to alter fish-zooplankton interactions considerably. How far predation effects by newly hatched fish (0+ fish) on zooplankton are influenced by different types of aquatic vegetation, and how effects change during the first weeks of fish ontogeny remains, however, less clear. In order to address these issues, we examined the predation effects of 0+ fi

In this paper, we address surgical aspects on bariatric surgery in adolescents from a nationwide Swedish study. Laparoscopic gastric bypass surgery was performed for 81 adolescents with morbid obesity (13-18 years), while 81 adolescents with obesity-matched by age, sex, and BMI received conventional care. Another comparison group was adults undergoing gastric bypass at the same institution during

In a large multicentre sample of cognitively normal subjects, as a function of age, gender and APOE genotype, we studied the frequency of abnormal cerebrospinal fluid levels of Alzheimer's disease biomarkers including: total tau, phosphorylated tau and amyloid-β1-42. Fifteen cohorts from 12 different centres with either enzyme-linked immunosorbent assays or Luminex® measurements were selected for