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Recent years have seen tremendous effort in the development of approaches with which to obtain quantum mechanics/molecular mechanics (QM/MM) free energies for reactions in the condensed phase. Nevertheless, there remain significant challenges to address, particularly, the high computational cost involved in performing proper configurational sampling and, in particular, in obtaining ab initio QM/MM
In the 20th century, the scientific community recognized global climate change as a preeminent challenge facing our planet. The primary driver of this predicament was identified as the substantial reliance on fossil fuels, constituting approximately 80% of the world's energy consumption. The combustion of these fossil fuels, particularly those rich in carbon, led to the emission of greenhouse gase
Future climate scenarios are predicting considerable threats to sustainable maize production in arid and semi-arid regions. These adverse impacts can be minimized by adopting modern agricultural tools to assess and develop successful adaptation practices. A multi-model approach (climate and crop) was used to assess the impacts and uncertainties of climate change on maize crop. An extensive field s
There is a need for ground-breaking technologies to boost crop yield, both grains and biomass, and their processing into economically competitive materials. Novel cereals with enhanced photosynthesis and assimilation of greenhouse gasses, such as carbon dioxide and ozone, and tailored straw suitable for industrial manufacturing, open a new perspective for the circular economy. Here we describe the
Popular Abstract in Swedish Transplantation av nervvävnad till hjärnan är inte en ny idé. Redan 1890, publiserade Thompson de första försöken att transplantera vuxen hjärnvävnad till det vuxna centrala nervsystemet och han rapporterade att vävnaden överlevde i sju veckor "without wholly losing its identity". Trots detta var det först under 1970-talet som metoderna för intracerebral nervcellstranspIntracerebral neuronal transplantation have been shown to ameliorate symptoms of brain dysfunction in both animals models and Parkinson's disease, although problems still remain. The newly introduced technique of ex vivo gene transfer could serve as an alternative approach, possible avoiding some of the draw-backs of the embryonal tissue used in neuronal grafting. We have investigated the feasibli
Manufacturing is an industry in which the effects of globalization are obvious. Manufacturing costs are a key factor in this respect and affect, for example, decisions about offshoring, i.e., moving production abroad. If Sweden and other Western countries are to maintain large manufacturing sectors, they must be competitive, making cost one of the most critical parameters. The work presented here
Borderline Personality Disorder (BPD) has largely been associated with self-harm and chronic suicidality, despite the fact that these behaviours comprise only one diagnostic criterion. Treatments for self-harm are mostly indicated for individuals with BPD. Emerging literature suggests that youth with histories of depression are at risk of both self-harm and completed suicide. For individuals with
Thermo-responsive poly(N-isopropylacrylamide) (polyNIPAm) containing terminal boronic acid was synthesized using atom transfer radical polymerization (ATRP) in combination with Cu(I)-catalyzed alkyne-azide 1,3-dipolar cycloaddition (CuAAC) reaction. Alkyne-terminated polyNIPAm was first synthesized by ATRP using an alkyne-containing initiator. A fluorogenic boronic acid, 3-(2-azido-acetylamino)phe
During the recent years improved operation techniques and administrative procedures have been developed for early rehabilitation. At the same time preoperative lifestyle intervention (prehabilitation) has revealed a large potential for additional risk reduction. The aim was to assess the quality of life and to estimate the cost-effectiveness of standard care versus an integrated programme includin
An approach for large scale protein identification and quantification was described. The peptide mixtures from the strong cation exchange (SCX) fractionated protein digests were separated and analyzed by HPLC MS/MS. The human fibrobalst nuclei were purified from stimulated and non-stimulated cells. The quantification results with MALDI and ESI LC/MS were shown to be identical within experimental e
Investigations on exposure to electromagnetic have generated conflicting results both in epidemiological and laboratory studies, leaving their possible health consequences largely inconclusive. One of the well-reported reasons for the discrepancies is that there is no generally accepted theory to describe the interactions between the very weak electromagnetic fields and the living cells. This work
Field observations and experimental data of effects of nitrogen (N) deposition oil plant species diversity have been Used to derive empirical critical N loads for various ecosystems. The great advantage of such an approach is the inclusion of field evidence, but there are also restrictions, such as the absence of explicit criteria regarding significant effects on the vegetation, and the impossibil
Soil pH is one of the most influential variables in soil, and is a powerful factor in influencing the size, activity and community structure of the soil microbial community. It was previously shown in a century old artificial pH gradient in an arable soil (pH 4.0-8.3) that bacterial growth is positively related to pH, while fungal growth increases with decreasing pH. In an attempt to elucidate som
