Relative free energies for the binding of nine cyclic carboxylate ligands to the octa-acid deep-cavity host were calculated at the combined density-functional theory and molecular mechanics (DFT/MM) level of theory. The DFT calculations employed the BLYP functional and the 6-31G∗ basis set for the ligand. We employed free-energy perturbations (FEP) with the reference-potential approach and used m

Parental longevity is associated with an increased life expectancy; results with regard to specific diseases are conflicting. There are limited data focusing on host characteristics and their effect on survival among multiple myeloma (MM) patients and individuals with monoclonal gammopathy of undetermined significance (MGUS). Therefore, our aim was to evaluate the impact of parental longevity on s

This paper investigates the outcome of the efforts to economically catch up during the so-called development era in French speaking West Africa. An attempt is made to measure and discuss key elements of social capability over the period 1930-1980 in Côte d'Ivoire and Senegal following Moses Abramovitz' interpretation of social capability. The paper distinguishes between four elements of social cap

Purpose: To provide a focused review of sickle cell retinopathy in the light of recent advances in the pathogenesis, multimodal retinal imaging, management of the condition, and migration trends, which may lead to increased prevalence of the condition in the Western world. Methods: Non-systematic focused literature review. Results: Sickle retinopathy results from aggregation of abnormal hemoglobin

The present article is an assessment of wastewater treatment processes in the oil refinery sector in Kazakhstan by comparing relevant experience of developed and developing countries. The legislation in this sphere, the treatment methods, the discharge process and the effect on the environment were evaluated following international and national regulations. In our study, the wastewater systems in

A resonant characteristic mode (CM) is useful for antenna design if it is properly excited and well matched to the source. In this paper, we consider the feed design for the excitation of the fundamental CM of a rectangular chassis. The tradeoff between the required number of capacitive coupling elements (CCE) and matching elements used for achieving a given antenna bandwidth is studied. The resul

The impact of soil metal pollution on plant communities has been studied extensively in the past.However, very little is known about the fungal species that co-occur with these plant communities onmetal polluted soils.We characterized the belowground fungal community in a heavy metal polluted anda non-polluted soil using 454 pyrosequencing. The fungal communities at both study sites were shown toc

Bakom våra mest vardagliga livsmedel ligger en lång och fängslande historia. Varför gav sig pälsjägaren Birdseye ut på Alaskas iskalla vidder, på jakt efter en perfekt fryst ärta? Hur kunde Herbert Felix göra succé med en ketchupfabrik i Skåne – trots att det var omöjligt att odla tomater där? Här får du lära dig varför luft blev den avgörande ingrediensen i glass, oavsett om det upptäcktes av Dji

Vad är egentligen problemet med industrimaten?Allt mer av det vi stoppar i oss har vid något tillfälle befunnit sig i fabrikernas rostfria ståltankar, transporterats på löpande band, behandlats med kemiskt framtagna tillsatser och förpackats i färgglada förpackningar. Istället för gladlynta kockar eller känsliga mathantverkare är det idag kemister, ingenjörer och industriarbetare som designar, til

BACKGROUND: The plant microbiome represents one of the key determinants of plant health and productivity by providing a plethora of functional capacities such as access to low-abundance nutrients, suppression of phytopathogens, and resistance to biotic and/or abiotic stressors. However, a robust understanding of the structural composition of the bacterial microbiome present in different plant micr

Sweden succeeded in remaining a non-combatant through the First World War. However, the conflict affected the nation in many ways, for example in terms of film production and film consumption. The Swedish film industry was growing rapidly already before the outbreak of the First World War. The number of cinemas increased every year. It is estimated that there were 700 cinemas in Sweden in 1919, tw