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In a previous work we have introduced an intramolecular induction correction model. In this work we have used the model to calculate the total dipol moment of six molecules as a function of two or three dihedral angles that are simultaneously varied in the molecules. It is found that the induction model behaves very well for the systems studied when compared with a regular force field model where

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Popular Abstract in Swedish Immunsystemet är ett invecklat och komplext system som finns överallt i kroppen och som inte är begränsat till ett enda organ. Vi utsätts hela tiden för ”angrepp” från mikro-organismer (t.ex. bakterier eller virus) men också för främmande ämnen som kan vara skadliga eller giftiga. Immunsystemets huvudfunktion är att hjälpa kroppen att känna igen dessa ”angripare” och atThe overall aim of this PhD project was to gain insight into the incidence of primary immunodeficiency (PID) in southern Sweden and to optimize diagnostic and treatment measures for these patients. We estimated the occurrence rate of PID in the pediatric population of southern Sweden during a period of 4 years and described the demographic, clinical and immunological characteristics of the identif

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Popular Abstract in Swedish För tidigt födda barn genomgår intensivvård under en period när de är väldigt sårbara pga instabil cirkulation och ett omoget centralt nervsystem under snabb utveckling. Tillräcklig behandling av smärta är av största betydelse eftersom stark smärtupplevelse kan medföra skadliga omedelbara kroppsreaktioner, men också neurologiska och neuropsykologiska seneffekter. Det fiPreterm infants undergo intensive care during a vulnerable period with hemodynamic instability and a rapidly developing and immature CNS. Adequate pain management is essential, since pain experience might lead to acute physiological reactions as well as neurological and neuropsychological sequels. There is no “golden standard” for objective pain assessment, and no evidence-based recommendations fo

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The PreSPEC setup for high-resolution 'gamma-ray spectroscopy using radioactive ion beams was employed for experimental campaigns in 2012 and 2014. The setup consisted of the state of the art Advanced GAmma Tracking Array (AGATA) and the High Energy gamma cleteCTOR (HECTOR+) positioned around a secondary target at the final focal plane of the GSI FRagment Separator (FRS) to perform in-beam gamma-r

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An instrumental and experimental setup for soft x-ray spectroscopy meeting the requirements of a closed source for radioactivity is described. The system consists of a vacuum sealed cell containing the sample, mounted on a tubing system to ensure compatibility with most standard manipulators. The soft x rays penetrate a thin x-ray window separating the interior of the cell from the vacuum in the e

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We present the methods for phenotype evaluation, which give good chances to identify taxa larger according to the anatomical and morphological features. The basic idea is to evaluate characters having regard to completeness and reproducibility. We composed a list of about 100 basic characters and propose standardized ways of measuring them. We also present a list of morphological and anatomical te

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A design study of a horizontal neutron reflectometer adapted to the general baseline of the long pulse European Spallation Source (ESS) is presented. The instrument layout comprises advanced solutions for the neutron guide, high-resolution pulse shaping and beam bending onto a sample surface being thoroughly adjusted to the properties of the ESS. The length of this instrument is roughly 55 m, enab

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Spectral estimation is an important classical problem that has received considerable attention in the signal processing literature. In this contribution, we propose a novel method for estimating the parameters of sums of complex exponentials embedded in additive noise from regularly or irregularly spaced samples. The method relies on Kronecker's theorem for Hankel operators, which enables us to fo

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We report on the production and characterization of polymer-based ultra-thin (sub 10 nm) foils suited for experiments on laser-ion acceleration in the regime of radiation pressure acceleration. Beside the remarkable mechanical stability compared with commonly used diamond-like-carbon foils, a very homogeneous layer thickness and a small surface roughness have been achieved. We describe the technic

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OBJECTIVE-To develop a model for the prediction of type 2 diabetes mellitus (T2DM) risk on the basis of a multivariate logistic model and 1-h plasma glucose concentration (1-h PG). RESEARCH DESIGN AND METHODS-The model was developed in a cohort of 1,562 non-diabetic subjects from the San Antonio Heart Study (SAHS) and validated in 2,395 nondiabetic subjects in the Botnia Study. A risk score on the

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A novel method for QRST cancellation during atrial fibrillation (AF) is introduced for use in recordings with two or more leads. The method is based on an echo state neural network which estimates the time-varying, nonlinear transfer function between two leads, one lead with atrial activity and another lead without, for the purpose of canceling ventricular activity. The network has different sets

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Measurements with unknown time delays are common in different applications such as microphone array, radio antenna array calibration, where the sources (e.g. sounds) are transmitted in unknown time instants. In this paper, we present a method for estimating unknown time delays from Time-Difference-of-Arrival (TDOA) measurements. We propose a novel rank constraint on a matrix depending on the measu

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1. Permutation tests are important in ecology and evolution as they enable robust analysis of small sample sizes and control for various forms of dependencies among observations. A common source of dependence is spatial autocorrelation. Accounting for spatial autocorrelation is often crucial, because many ecological and evolutionary processes are spatially restricted, such as gene flow, dispersal,

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Poly-3-d-hydroxybutyrate (PHB) is a promising biopolymer naturally produced by several bacterial species. In the present study, the robust baker's yeast Saccharomyces cerevisiae was engineered to produce PHB from xylose, the main pentose found in lignocellulosic biomass. The PHB pathway genes from the well-characterized PHB producer Cupriavidus necator were introduced in recombinant S. cerevisiae

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In this paper, we present a controller synthesis algorithm for a decentralized control problem. We consider an architecture in which there are two interconnected linear subsystems. Both controllers seek to optimize a global quadratic cost, despite having access to different subsets of the available measurements. Many special cases of this problem have previously been solved, most notably the state

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The following text addresses the threats aecting the honey-bee, and which are manifesting through the unusual death rates of bee colonies. Focus is placed in reviewing the scientic knowledge that concerns the honey-bee by discussing its cognitive and ethical categories and its in uence in nature conservation, mainly centred in the EU. Results indicate that scientic knowledge plays a fundamental ro

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The cepstrum of a random process is useful in many applications. The cepstrum is usually estimated from the periodogram. To reduce the mean square error (MSE) of the estimator, the periodogram may be smoothed with a kernel function. We present an explicit expression for a kernel function which is approximatively MSE optimal for cepstrum estimation. A penalty term has to be added to the minimizatio

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During the last several decades, improvements in diagnostic skills and in the treatment of children with cancer have substantially increased the number of long term survivors of childhood cancer. Treatment of children with cytostatic drugs is known to create a range of late adverse effects. Among these are damage to certain structures of the inner ear and hearing impairment. In children, a hearing