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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 perturbatio
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
We here reconstruct a glacial and climate history of arctic NW Siberia for the last 600 000 years, based on the stratigraphy and chronology of 35 studied river sections on the southern Taimyr Peninsula. From this stratigraphic mosaic we have identified four glacial events, marked by tills/glaciotectonics, which are intercalated with mainly marine sediments deposited in proglacial settings during We here reconstruct a glacial and climate history of arctic NW Siberia for the last ~600,000 years, based on the stratigraphy and chronology of 35 studied river sections on the southern Taimyr Peninsula. From this stratigraphic mosaic we have identified four glacial events, marked by tills/glaciotectonics, which are intercalated with mainly marine sediments deposited in proglacial settings during
An understanding of potassium chemistry in energy conversion processes supports the development of complex biomass utilization with high efficiency and low pollutant emissions. Potassium exists mainly as potassium hydroxide (KOH), potassium chloride (KCl), and atomic potassium (K) in combustion and related thermochemical processes. We repor
On academic housekeeping and its allocationAcademic housekeeping denotes the type of work tasks within university departments that are low-status, time-consuming, largely invisible, and that nevertheless need to be done. This article discusses academic housekeeping in a Swedish context, and holds that this topic has been overlooked in research. The aim is therefore to specify the meaning of the co
Background and purpose — Spasticity is often regarded as a major cause of functional limitation in children with cerebral palsy (CP). We analyzed the spasticity development with age in the gastrosoleus muscle in children with CP. Children and methods — This is a longitudinal cohort study of 4,162 children (57% boys) with CP born in 1990–2015, monitored using standardized follow-up examinations in
This Data in Brief paper contains data (including images) from Quaternary sedimentary successions investigated along the Bol’shaya Balakhnya River and the Luktakh–Upper Taimyra–Logata river system on southern Taimyr Peninsula, NW Siberia (Russia). Marine foraminifera and mollusc fauna composition, extracted from sediment samples, is presented. The chronology (time of deposition) of the sediment sThis Data in Brief paper contains data (including images) from Quaternary sedimentary successions investigated along the Bol’shaya Balakhnya River and the Luktakh–Upper Taimyra–Logata river system on southern Taimyr Peninsula, NW Siberia (Russia). Marine foraminifera and mollusc fauna composition, extracted from sediment samples, is presented. The chronology (time of deposition) of the sediment s
Background: Previous research revealed that it is possible for lung recipients to experience health 1 year posttransplant, despite not being fully recovered. However, an in-depth, long-term perspective on how lung recipients’ health transition evolves over time is lacking. Thus, the aim of this study was to further develop a grounded theory of health transition by exploring the process of change 1
We use a laboratory experiment to investigate a novel reason for the lack of empirical support for the Hotelling rule for nonrenewable resources. Specifically, we test whether producers with large resource stocks focus less on the dynamic component of their extraction decision, making them shift extraction to the present and focus more on strategic behavior. Exploiting exogenous variation in stock
Although market-based environmental policy instruments feature prominently in economic theory and are widely employed, they often face public resistance. We argue that such resistance may be driven by moral responsibility, where citizens prefer to tackle the environmental problems that they have caused by themselves, rather than delegating the task to others by means of a market mechanism. Using a
In this paper, the basic properties of quantum chromodynamics (QCD) condensates are presented, together with theirs relation to the operator product expansion (OPE) and the two-point and three-point Green functions constructed of chiral currents. Next, our newest results for the contribution of the QCD condensates with dimension D < 6 to the Green functions calculated within the framework of χPT/R
This paper reports the results of a lab experiment designed to study the role of observability for peer effects in the setting of a simple production task. In our experiment, participants in the role of workers engage in a team real-effort task. We vary whether they can observe, or be observed by, one of their co-workers. In contrast to earlier findings from the field, we find no evidence that low
One of the hallmark findings from behavioral economics is that choices are sensitive to the context they are presented in. However, the strength of such 'framing effects' varies between studies, and some studies fail to find any effect at all. A long line of research has argued that the presence and size of framing effects depend to a large extent on whether people use higher or lower-level mental
