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Local properties of quantum chemical systems: The LoProp approach

A new method is presented, which makes it possible to partition molecular properties like multipole moments and polarizabilities, into atomic and interatomic contributions. The method requires a subdivision of the atomic basis set into occupied and virtual basis functions for each atom in the molecular system. The localization procedure is organized into a series of orthogonalizations of the origi

Characterization of allergens secreted by Anisakis simplex parasite: clinical relevance in comparison with somatic allergens

BACKGROUND: Diagnostic methods for the study of allergic reactions to Anisakis simplex (A.s.) based on whole-body extracts of the larva are clearly insufficient. OBJECTIVES: To study the allergenicity of the proteins secreted by the parasite. Comparison with somatic antigens and determination of their clinical importance in allergic patients were also addressed. METHODS: An excretory/secretory (E/

Veins feature extraction using DT-CNNS - art. no. 65900N

As the identification process is based on the unique patterns of the users, biometrics technologies are expected to provide highly secure authentication systems. The existing systems using fingerprints or retina patterns are, however, very vulnerable. One's fingerprints are accessible as soon as the person touches a surface, while a high resolution camera easily captures the retina pattern. Thus,

Fibronectin binding by Propionibacterium acnes

Strains of Propionibacterium acnes, isolated from different kinds of orthopaedic and biomaterial-associated infections and from skin flora were shown to express binding of soluble as well as immobilized fibronectin. Among these 7 strains isolated from orthopaedic infections, 2 from breast prostheses, and 9 skin isolates, 2, 2, and 5 strains respectively bound immobilized fibronectin. The fibronect

Effects of drivers' age and push button locations on visual time off road, steering wheel deviation and safety perception

The study examined the effects of manual control locations on two groups of randomly selected young and old drivers in relation to visual time off road, steering wheel deviation and safety perception. Measures of visual time off road, steering wheel deviations and safety perception were performed with young and old drivers during real traffic. The results showed an effect of both driver's age and

One-dimensional heterostructures in semiconductor nanowhiskers

We report on the growth of designed heterostructures placed within semiconductor nanowhiskers, exemplified by the InAs/InP material system. Based on transmission electron microscopy, we deduce the interfaces between InAs and InP to be atomically sharp. Electrical measurements of thermionic emission across an 80-nm-wide InP heterobarrier, positioned inside InAs whiskers 40 nm in diameter, yield a b

HIF-1alpha induces MXI1 by alternate promoter usage in human neuroblastoma cells.

Adaptation to low oxygen conditions is essential for maintaining homeostasis and viability in oxygen-consuming multi-cellular tissues, including solid tumors. Central in these processes are the hypoxia-inducible transcription factors, HIF-1 and HIF-2, controlling genes involved in e.g. glucose metabolism and neovascularization. Tumor hypoxia and HIF expression have also been associated with a dedi

The complete mitochondrial DNA sequence of the greater Indian rhinoceros, Rhinoceros unicornis, and the phylogenetic relationship among Carnivora, Perissodactyla and Artiodactyla (plus Cetacea)

The sequence (16,829 nt) of the complete mitochondrial genome of the greater Indian rhinoceros, Rhinoceros unicornis, was determined. Like other perissodactyls studied (horse and donkey) the rhinoceros demonstrates length variation (heteroplasmy) associated with different numbers of repetitive motifs in the control region. The 16,829-nt variety of the molecule includes 36 identical control region

Pharmacodynamics of amoxicillin/clavulanic acid against Haemophilus influenzae in an in vitro kinetic model: a comparison of different dosage regimens including a pharmacokinetically enhanced formulation

OBJECTIVE: To study the pharmacodynamics of amoxicillin/clavulanic acid against different strains of Haemophilus influenzae in an in vitro kinetic model. The concentrations used corresponded to human serum levels obtained after 875 mg amoxicillin/clavulanic acid given b.i.d., 500/125 mg amoxicillin/clavulanic acid given t.i.d. and those obtained with a pharmacokinetically enhanced formulation cont

Dermatan sulfate domains defined by the novel antibody GD3A12, in normal tissues and ovarian adenocarcinomas

Dermatan sulfate (DS) expression in normal tissue and ovarian cancer was investigated using the novel, phage display-derived antibody GD3A12 that was selected against embryonic glycosaminoglycans (GAGs). Antibody GD3A12 was especially reactive with DS rich in IdoA-GalNAc4S disaccharide units. IdoA residues are important for antibody recognition as DS polymers with low numbers of IdoA residues were

The influence of total hepatectomy on cerebral energy state, ammonia-related amino acids of the brain and plasma amino acids in the rat

The influence of total hepatectomy on cerebral energy state, ammonia-related amino acids of the brain tissue and plasma amino acids was studied in anaesthetized rats after total hepatectomy. The hepatectomy was performed with the aid of a microsurgical three-stage procedure. In the first stage, division of the inferior vena cava was performed. In the second stage 4 weeks later a porta-caval anasto

Physical activity and risk of prostate cancer in the European Prospective Investigation into Cancer and Nutrition (EPIC) cohort

The evidence concerning the possible association between physical activity and the risk of prostate cancer is inconsistent and additional data are needed. We examined the association between risk of prostate cancer and physical activity at work and in leisure time in the European Prospective Investigation into Cancer and Nutrition (EPIC) cohort. In our study, including 127,923 men aged 20-97 years

Spectroscopic time-resolved diffuse reflectance and transmittance measurements of the female breast at different interfiber distances

The first, to our knowledge, in-vivo broadband spectro-scopic characterization of breast tissue using different interfiber distances as well as transmittance measurements is presented. Absorption and scattering properties are measured on six healthy subjects, using time-resolved diffuse spectroscopy and an inverse model based on the diffusion equation. Waveiength-tunable picosecond-pulse-lasers an

An oscillating manganese electron paramagnetic resonance signal from the S0 state of the oxygen evolving complex in Photosystem II

Photosynthesis produces the oxygen necessary for all aerobic life. During this process, the manganese-containing oxygen evolving complex (OEC) in photosystem II (PSII), cycles through five oxidation states, S0-S4. One of these, S2, is known to be paramagnetic and gives rise to electron paramagnetic resonance (EPR) signals used to probe the catalytic structure and function of the OEC. The S0 state

Spatial and temporal distribution of fish and zooplankton in a shallow lake

1. We performed both a large- and a small-scale echo sounding study on the spatial and temporal distribution of fish (mainly roach, Rutilus rutilus and perch, Perca fluviatlis), as well as a small-scale study of zooplankton distribution in the small, shallow and eutrophic Lake Hanebjerg in Denmark. In the small-scale study, sampling was conducted in open water as well as in the edge zone immediate

Birth weight, body length, and cranial circumference in newborns with cleft lip or palate

OBJECTIVE: This paper reports on birth weight, body length, body mass index, and cranial circumference at birth of infants with cleft lip and/or palate born between 1973 and 1992. METHODS: Data were obtained from two nationwide Swedish health registries. Infants with syndromes, twins, and infants with immigrant parentage were excluded from the study. Comparisons were made with all singleton births

Modeling climate conditions required for glacier formation in cirques of the Rassepautasjtjakka massif, northern Sweden

Timing of cirque formation and the climate necessary to initiate glaciation are fundamental to the understanding of the landscape of the northern Scandinavian mountains. Empty cirques in the Rassepautasjtjakka massif are located near a glaciated area and thus appear near the glaciation limit. In order to investigate the climate conditions necessary for glacier formation in the cirques, we applied

Masses and decay constants of pseudoscalar mesons to two loops in two-flavor partially quenched chiral perturbation theory

This paper presents a first study of the masses and decay constants of the charged, or flavor-off-diagonal, pseudoscalar mesons to two loops for two flavors of sea-quarks, in Partially Quenched Chiral Perturbation Theory (PQ chi PT). Explicit analytical expressions up to O(p(6)) in the momentum expansion are given. The calculations have been performed within the supersymmetric formulation of PQ ch