In this report, we summarize and describe the recent unique updates and additions to the Molcas quantum chemistry program suite as contained in release version 8. These updates include natural and spin orbitals for studies of magnetic properties, local and linear scaling methods for the Douglas-Kroll-Hess transformation, the generalized active space concept in MCSCF methods, a combination of multi

Diabetic foot ulceration (DFU) is associated with high morbidity and mortality, and represents the leading cause of hospitalization in patients with diabetes. Peripheral arterial disease (PAD), present in half of patients with DFU, is an independent predictor of limb loss and can be difficult to diagnose in a diabetic population. This review focuses on the evidence for therapeutic strategies in th

We describe the use of acrylic tanks (400 x 450 x 27 mm) for visualization of chemical demonstrations in aqueous solutions. Examples of well-suited demonstrations are oscillating reactions, pH indicators, photochemical reduction of Lauth's violet, and chemoluminiscent reactions.

Background: Respiratory gating is often used in 4D-flow acquisition to reduce motion artifacts. However, gating increases scan time. The aim of this study was to investigate if respiratory gating can be excluded from 4D flow acquisitions without affecting quantitative intracardiac parameters. Methods: Eight volunteers underwent CMR at 1.5 T with a 5-channel coil (5ch). Imaging included 2D flow mea

Objective To assess mortality related to exposure to tuberculosis (TB) at home among children in urban areas of Guinea-Bissau. Methods In four suburban areas included in the demographic surveillance system of the Bandim Health Project in Bissau, the mortality of children aged

European white stork are long considered to diverge to eastern and western migration pools as a result of independent overwintering flyways. In relatively recent times, the western and northern distribution has been subject to dramatic population declines and country-specific extirpations. A number of independent reintroduction programs were started in the mid 1950s to bring storks back to histori

A new class of chiral non-racemic gamma- and delta-amino alcohols based on bicyclo[2.2.1]heptane and bicyclo[2.2.2]octane have been synthesized and used as catalysts in the asymmetric diethylzinc addition to benzaldehyde. (C) 2008 Elsevier Ltd. All rights reserved.

Lipoproteins in blood play an important physiological role transporting cholesterol, lipids and lipid-soluble substances to the different organs of the body. Diseases such as atherosclerosis, cardiovascular disease and stroke are associated with defects in lipoprotein metabolism. For many years, intense research has focused on the role of cholesterol in development of atherosclerosis. Cholesterol

Fläderskära är en nordamerikansk art som spritt sig till de tempererade delarna av Europa. Introduktionen till Blekinge är intressant, eftersom arten följde med importerad vass från Tyskland, som skulle användas som en s.k. kvävefälla till Kallinge flygplats utanför Ronneby. Fläderskäran förekommer här i ett rikt bestånd och kanske den etablerar sig.

Substance use disorders are regarded as one of the most prevalent, deadly and costly of health problems. Research has consistently found that the prevalence of other psychiatric disorders among those with substance related disorders is substantial. Combined, these disorders lead to considerable disability and health years lost worldwide as well as extraordinary societal costs. Relatively little of

Reproductive investment decisions form an integral part of life-history biology. Selection frequently favours plasticity in investment that can generate maternal effects on offspring development. For example, if females differentially allocate resources based on mate attractiveness or quality, this can create a non-genetic link between mate attractiveness and offspring fitness with potential conse

Abstract in French Cette étude vise à mettre en lumière l’acquisition de la liaison préverbale en tant qu’accord sujet-verbe en nombre en français langue étrangère (FLE). Le but principal de l’étude est d’examiner le développement de ce trait morpho-phonologique et d’évaluer l’impact de la fréquence du verbe pour l’emploi de la liaison préverbale en FLE. Nous présentons une étude transversale où 4

Many patients with asthma or chronic obstructive pulmonary disease (COPD) routinely receive a combination of an inhaled bronchodilator and anti-inflammatory glucocorticosteroid, but those with severe disease often respond poorly to these classes of drug. We assessed the efficacy and safety of a novel inhaled dual phosphodiesterase 3 (PDE3) and PDE4 inhibitor, RPL554 for its ability to act as a bro

In recent years the development and use of crash prediction models for roadway safety analyses have received substantial attention. These models, also known as safety performance functions (SPFs), relate the expected crash frequency of roadway elements (intersections, road segments, on-ramps) to traffic volumes and other geometric and operational characteristics. A commonly practiced approach for

The atmospheric testing of nuclear weapons during the 1950s and early 1960s produced large amounts of radiocarbon. This 14C bomb pulse provides useful age information in numerous scientific fields, e.g. in geosciences and environmental sciences. Bomb-pulse dating can also be used to date human material (e.g. in forensics and medical science). Bombpulse dating relies on precise measurements of the

AIM: The aim of this study was to investigate early changes in uptake of 2-deoxy-2-[(18)F]fluoro-D-glucose (FDG) in vivo and in vitro in a squamous-cell carcinoma (SCC) cell line originating from a human head and neck SCC during cytotoxic therapy with respect to metabolism in tumor cells and in surrounding stromal tissue. MATERIALS AND METHODS: In 60 nude mice with xenografted SCC, 50 animals were