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We have critically examined and compared various ways to obtain standard harmonic molecular mechanics (MM) force-field parameters for metal sites in proteins, using the 12 most common Zn2+ sites as test cases. We show that the parametrization of metal sites is hard to treat with automatic methods. The choice of method is a compromise between speed and accuracy and therefore depends on the intended
A fundamental question in ecology is whether microorganisms follow the same patterns as multicellular organisms when it comes to population structure and levels of genetic diversity. Enormous population sizes, predominately asexual reproduction and presumably high dispersal because of small body size could have profound implications on their genetic diversity and population structure. Here, we hav
The idea of personal carbon allowances (PCAs) was presented by the UK Environment Secretary, David Miliband, in 2006. Although no nation state is seriously developing proposals for them, they have been discussed within academia, NGOs and policy-making circles. PCAs can be seen as a logical extension of emissions trading schemes, which has so far only applied at the firm level, to individuals. The
Purpose - The purpose of this paper is to find out the applicability of the many-body dissipative particle dynamics (MDPD) method for various real fluids by specifically focusing on the effects of the MDPD parameters on the MDPD fluid properties. Design/methodology/approach - In this study, the MDPD method based on van der Waals (vdw) equation of state is employed. The simulations are conducted by
Carcinogenic aromatic amines derived from hair dyes have recently received new attention. One of these is ortho (o)-toluidine, which is classified as carcinogenic to humans.
One of the primary tenets of polyvagal theory dictates that parasympathetic influence on heart rate, often estimated by respiratory sinus arrhythmia (RSA), shifts rapidly in response to changing environmental demands. The current standard analytic approach of aggregating RSA estimates across time to arrive at one value fails to capture this dynamic property within individuals. By utilizing recent
In this issue of J Endocrinol, Schuyler et al. show that intimal lesions in atherosclerosis-prone diabetic apoE-/- mice are reduced by insulin treatment. An increase of metalloproteinase-9 expression was observed in untreated diabetic apoE-/- mice; this was absent in insulin-treated mice. The study suggests that hindering of tissue-remodeling metalloproteinases may account for the beneficial effec
Genomic selection is a new technology in which selection decisions are based on direct genomic values (DGVs) or genomic enhanced breeding values (GEBVs). The objective of this study was to evaluate the relations between DGVs and several milk traits important for both the nutritional value and processability of milk. This is a new approach and can be used to increase the knowledge on how genomic se
Approximately 1700 Pg of soil carbon (C) are stored in the northern circumpolar permafrost zone, more than twice as much C than in the atmosphere. The overall amount, rate, and form of C released to the atmosphere in a warmer world will influence the strength of the permafrost C feedback to climate change. We used a survey to quantify variability in the perception of the vulnerability of permafros
Background: Chairs and sofas imported from China to Europe were shown to contain dimethyl fumarate (DMF), a sensitizing, volatile chemical. Many of the sensitized patients also had positive patch test reactions to acrylates. Objectives: To analyse the occurrence and strength of DMF sensitization and the appearance of concomitant reactions. Methods: Patch testing with DMF in concentrations of 0.1-0
This master thesis was performed in collaboration with NP Innovation. The purpose of this project was to develop a new inlet channel and two adapters for a water filter used in fish farming. Two different sizes of filters are included in the company's product portfolio. For both filters there is one inlet channel each in a corresponding size. One inlet channel consist of an adapter welded to t
Med röntgenstrålning går det i dagsläget att avbilda kroppens inre anatomi i antingen två eller tre dimensioner. Vid en vanlig slätröntgenundersökning (2D) tas en så kallad projektionsbild från en eller två vinklar, framifrån/bakifrån och från sidan. Detta genererar en tvådimensionell bild där alla (anatomiska) strukturer mellan röntgenröret och filmen överlagras, d.v.s. de går inte att separera fDuring the last century several attempts have been made to overcome the fundamental problem of X-ray imaging, i.e. that anatomical information existing in 3-dimensions has to be represented on a 2-dimensional radiograph. In this thesis, digital tomosynthesis, a rened version of conventional tomography, has been investigated. Digital tomosynthesisenables retrospective reconstruction of an arbitrary
Recently, the paper ”When Choices Are Mistakes” by Nielsen, Kirby, and John Rehbeck (2022) introduced a novel method to test axiomatic theories of choice under risk. This innovative approach opened new avenues for exploring decision- making processes. Ambiguity aversion, a distinct concept where probabilities of outcomes are unknown, is fundamental in understanding economic and financial decisions
The influence of climate change on tourism demand patterns will be shaped by the response of tourists to the complexity of mitigation policy anti its impacts on transportation systems, the wide range of climate change impacts on destinations, as well as broader impacts on society and economic development. Tourists have the largest adaptive capacity of elements within the tourism system because of
The State of Palestine is drafting a new constitution to replace a patchwork of foreign and outdated legislation, and to harmonise national law with dozens of ratified international treaties. Since its 2012 ascension from non-member observer ‘entity’ to non-member observer ‘state’ in the UN, Palestine has signed fifty-five multilateral treaties covering a wide range of areas. All treaties have bee
