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The mechanism and kinetics of the radical C-3(2) + C3H8 reaction have been investigated theoretically by direct ab initio kinetics over a wide temperature range. The potential energy surfaces have been constructed at the CCSD(T)/B3//UMP2/B1 levels of theory. The electron transfer was also analyzed by quasi-restricted orbital (QRO) in detail. It was shown that all these channels proceed exclusively
Control of work output and combustion phasing on a Homogeneous Charge Compression Ignition (HCCI) engine is essential to realize the benefits of superior efficiency and emissions. This paper presents a model predictive control approach for cycle-by-cycle control of HCCI while respecting constraints on actuators that might exist on a production implementation. The strategy is based on a physical mo
Although cannabis is well studied in the scientific literature, relatively little is known about the relationship between the frequency of cannabis use and the use of alcohol and other drugs. The aim of this study was to identify differences between frequent and occasional cannabis users with respect to the use of other illicit drugs, hazardous alcohol use, and unauthorized use of prescription dru
Peak oil has acquired prominence in the political lexicon of an increasing number of critical and radical perspectives during the ongoing ecological and economic crisis. By examining examples within academia as well as initiatives such as the Degrowth Movement and the Transition Network, this paper documents how a series of red-green discourses and movements mobilise the narrative of peak oil as a
The authors develop a methodology to create databases that can be used to add micro-level geographic context to longitudinal historical demographic analyses. The method transforms geographic objects as snapshots (digitized from historical maps) into temporal representations of longitudinal object lifelines and links individuals to these geographic objects. The methodology is evaluated via a case s
The current and future costs of willow short rotation coppice production in Sweden are analysed, considering all relevant cost factors explicitly. The future production costs are estimated considering effects of coppice area expansion and learning. The current and future costs of land and of risk premiums are subsequently estimated. Subsidies for farmers are not considered. If the area of willow c
Background. Although the association between attention-deficit/hyperactivity disorder (ADHD) and drug use disorder (DUD) is well documented, it is unclear whether it is causal or results from familial confounding. Method. In this study we included all 551 164 individuals born in Sweden between 1991 and 1995 and used linked data from multiple nationwide registries to identify those with ADHD prior
COPHES/DEMOCOPHES has its origins in the European Environment and Health Action Plan of 2004 to "develop a coherent approach on human biomonitoring (HBM) in Europe". Within this twin-project it was targeted to collect specimens from 120 mother-child-pairs in each of the 17 participating European countries. These specimens were investigated for six biomarkers (mercury in hair; creatinine, cotinine,
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
