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A new method to determine quasi diabatic (QD) CASSCF states is presented. The adiabatic states are subjected to a unitary transformation resulting from diagonalization of a state-selection operator. The latter is constructed from the overlap of the adiabatic states with a suitable set of reference states. The multi-state (MS) CASPT2 method is used to account for the dynamical correlation effects i
The volume and structural changes upon replacement of oppositely charged network counterions for oppositely charged macroions in cross-linked polyelectrolyte gels have been investigated by Monte Carlo simulations using a coarse-grained model. Initially, the gel deswells, but after an approximately equivalent amount of macroions, the gel starts to swell again. The deswelling effect is greatest for
It seems that at conception something is formed which, due to its genetic make-up, has the potentiality to develop into a full-blown human being. Many believe that in virtue of this potentiality, this organism, the human zygote or early embryo, has an intrinsic value which makes it wrong to use or produce it merely as a means to some end, e.g., some scientific end such as to produce embryonic stem
Substantial research has been dedicated to the study of the relationship between genetic mechanisms regulating cell functions in tumors and how those tumors respond to various treatment regimens. Because these mechanisms are still not well understood, we have chosen to study the genetic makeup of 57 tumor samples from patients with follicular lymphoma (FL). Our goal was to develop a prognostic too
Individuals with an inherited predisposition to cancer development are at an increased risk of developing multiple tumours. Hereditary non-polyposis colorectal cancer (HNPCC) is one of the most common hereditary cancer syndromes and is estimated to account for approximately 2% of colorectal cancers. However, HNPCC individuals are at an increased risk of developing other tumour types such as cancer
C1q deficiency is a rare condition associated with a systemic lupus erythematosus (SLE)-like syndrome and recurrent infections. Here we present the molecular basis behind C1q deficiency in three sisters of Inuit origin. Initial examination for complement deficiency showed no function of the classical complement activation pathway in the patients; the lectin and alternative pathways were intact. No
The main component of the sex pheromone precursor in females of Macrodiprion nemoralis was identified as a threo-3,7,9-trimethyl-2-tridecanol isomer, approximately 800 pg per female, by gas chromatography-mass spectrometry. Comparison of mass spectrometric ion chromatograms showed that the natural compound in the female extract has the same retention time and mass spectrum as one of the two synthe
To evaluate the cost-effectiveness of an additional 12-week treatment with varenicline for abstainers who had successfully completed an initial 12-week treatment. The Benefits of Smoking Cessation on Outcomes simulation model was used to simulate both direct and indirect effects of smoking cessation. All calculations were performed in 2003 Swedish prices. Sweden in 2003. The modelled cohort consis
A simple and easy-to-use extraction procedure has been optimised, validated, and applied for extraction of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) in urine and spiked plasma samples. PhIP is a carcinogenic and mutagenic heterocyclic aromatic amine that is formed during cooking of meat and fish. The novelty of the extraction procedure lies in using a short piece of narrow capillary-l
Objective: Little is known about the etiology of small bowel carcinoid tumor (SBC), but a few studies have pointed to certain medical and lifestyle factors as potential risk factors. This study aims to evaluate these findings and to identify new associations. Methods: A population-based European multicenter case-control study was conducted from 1995 through 1997. Incident histologically verified 3
The spectral emission from thermographic phosphors in free flow and its dependence of laser energy per cross section area (laser fluence [J/cm(2)]) has been investigated. Temperature measurements in gaseous flows using thermographic phosphors require higher laser energy than measurements performed on surfaces, due to lower particle density. A troublesome systematic error associated with high fluen
The solubility in dilute aqueous solutions of amylose complexed with ionic surfactants has been investigated by turbidity measurements. The turbidity depended on both the amylose and the surfactant concentrations. Low and high surfactant concentrations resulted in macroscopic phase separation, while mixtures at intermediate surfactant concentrations remained monophasic for at least one month. The
Background. Infection with Helicobacter pylori is associated with an increased risk of gastric cancer. Several studies have indicated that the association differs with strain type. We aimed to find out if infection with strains lacking the virulence factor CagA is linked to gastric cancer risk. Materials and methods. In a hospital-based case-control study, we collected sera from 100 case patients
The present study examines whether foreign adoptees differ from normative samples in adult attachment status, and explores within-group differences associated with (in)secure attachment status in adult adoptees. Forty adoptees, from a previously representative study of foreign adoptees in Sweden, were interviewed with the Adult Attachment Interview (AAI). In adition, they were questioned about iss
An effect of permeabilisation and lyophilisation of the yeast cells Hansenula polymorpha on their electrochemical behaviour in the presence of mediators, substrates (formaldehyde, glucose, methanol, ethanol), and cofactors (NAD(+), NADP(+), NADH, NADPH, glutathione) has been studied. Two amperometric techniques differing in the cell immobilisation methods were applied. The cells of a wild strain (
