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The selection of basis sets is very important for multiconfigurational wave function calculation, due to a balance between a desired accuracy and computational costs. Recently, the atomic natural orbital-relativistic (ANO-R) basis set was published as a suggested replacement for the ANO-RCC basis set for scalar-relativistic correlated calculations Zobel et al (2021 J. Chem. Theory Comput. 16 278-2
Marine ecosystems are currently facing a variety of anthropogenic perturbations, including climate change. Trophic differences in response to climate change may disrupt ecological interactions and thereby threaten marine ecosystem function. Yet, we still do not have a comprehensive understanding of how different trophic levels respond to climate change stressors in marine ecosystems. By including
This article introduces a special issue on the contribution of social science to addressing transformations to sustainability. Articles underline the importance of embracing theoretically rooted, empirically informed, and collaboratively generated knowledge to address sustainability challenges and transformative change. Emphasis is placed on the role of the social sciences in elaborating on the po
Diabetes is the result of dysregulation of both insulin and glucagon. Still, insulin has attracted much more attention than glucagon. Glucagon is released from alpha cells in the islets of Langerhans in response to low glucose and certain amino acids. Drugs with the primary aim of targeting glucagon signalling are scarce. However, glucagon is often administered to counteract severe hypoglycaemia,
Ultrafast dynamic contrast-enhanced (UF-DCE) MRI is a new approach to capture kinetic information in the very early post-contrast period with high temporal resolution while keeping reasonable spatial resolution. The detailed timing and shape of the upslope in the time-intensity curve are analyzed. New kinetic parameters obtained from UF-DCE MRI are useful in differentiating malignant from benign l
Purpose: Nitrogen (N2) is an indispensable metabolite required for the synthesis of protein. In animals, gut bacteria and, to a certain extent, even hepatocytes, are able to assimilate nitrogen from ammonium (NH4+), which is essentially derived from the amine group (-NH2) and which is at the same time a very toxic metabolite. Initially, NH4+ is coupled to alpha-ketoglutarate (AKG), a reaction whic
FLASH radiotherapy is a novel technique that has been shown in numerous preclinical in vivo studies to have the potential to be the next important improvement in cancer treatment. However, the biological mechanisms responsible for the selective FLASH sparing effect of normal tissues are not yet known. An optimal translation of FLASH radiotherapy into the clinic would require a good understanding o
Sepsis manifests due to the host's dysregulated immune response to infection. High-dose ascorbic acid (AA) has emerged as a potential treatment of sepsis, yet little is known regarding how AA influences the immune system in sepsis, such as monocytes. The objective of this study is to investigate the effects of high-dose AA on monocyte polarization and cytokine production in vitro. Monocytes isolat
Reports and studies repeatedly indicate that foreign languages other than English are facing major challenges in European educational systems (European Commission, 2012). While young learners’ motivation to learn a second foreign language (SFL) is often reported to be low (Tholin & Lindqvist, 2009), studies have only recently started to take emotional factors into account in order to better un
In the Renaissance, the arts and the sciences were considered an inseparable whole – and open-minded cooperation between distinguished artists was common. The majority of the contemporary scientific community is similarly attuned by collectively splicing together countless individual threads of knowledge, paving the way for new methods and applications. This paper argues that a likeminded modus op
Otitis media (OM) is an inflammatory disorder in the middle ear. It is mainly caused by viruses or bacteria associated with the airways. Streptococcus pneumoniae, Haemophilus influenzae and Moraxella catarrhalis are the three main pathogens in infection-related OM, especially in younger children. In this review, we will focus upon the multifaceted gene regulation mechanisms that are well-orchestra
The coronavirus disease 2019 (COVID-19) pandemic has a major impact not only on public health and daily living, but also on clinical trials worldwide. To investigate the potential impact of the COVID-19 pandemic on the initiation of clinical trials, we have descriptively analyzed the longitudinal change in phase II and III interventional clinical trials initiated in Europe and in the United States
Shoor wetland, in south central Iran, is a unique ecosystem which plays an important role in maintaining stability of this eco-region. The most important function of Shoor is dust control. Environmental flow releases are a tool for wetland restoration, but their success has not been consistent. We utilized Justin (Watershed), Flow Duration Curve (FDC), and Water Resources Balance (WRB) methods to
Current guidelines recommend flow cytometric analysis as part of the diagnostic assessment of patients with cytopenia suspected for myelodysplastic syndrome. Herein we describe the complete work-up of six cases using multimodal integrated diagnostics. Flow cytometry assessments are illustrated by plots from conventional and more recent analysis tools. The cases demonstrate the added value of flow
Recent decision-making research provides empirical evidence that human risk preferences are constructed “on the fly” during risk elicitation, influenced by the decision-making context and the method of risk elicitation (Kusev et al., 2020). In this article, we explore the lability of human risk preferences and argue that the most recent choices guide decision-making. Accordingly, our novel proposa
Organizational scholars have long studied and theorized the apparent divergence of discourse and practice in organizational settings, and how it affects leadership, management, and professional work. In this article, we review this work and connect it to an hitherto unexplored philosophical line of thought from the writings of the late Czech playwright, dissident and president Václav Havel. In 197
