We present a scheme for transferring conformational degrees of freedom from all-atom (AA) simulations of an intrinsically disordered protein (IDP) to coarse-grained (CG) Monte Carlo (MC) simulations using conformational swap moves. AA simulations of a single histatin 5 peptide in water were used to obtain a structural ensemble, which is reweighted in a CGMC simulation in the presence of a negative

In this paper, we describe the conversion of three different heart transplantation data sets to a Resource Description Framework (RDF) representation and how it can be utilized to train deep learning models. These models were used to predict the outcome of patients both pre- and post-transplant and to calculate their survival time. The International Society for Heart & Lung Transplantation (IS

ABTRACT: tRNA-derived fragments or tRFs were long considered merely degradation intermediates of full-length tRNAs; however, emerging research is highlighting unanticipated new and highly distinct functions in epigenetic control, metabolism, immune activity and stem cell fate commitment. Importantly, recent studies suggest that RNA epitranscriptomic modifications may provide an additional regulato

Quantitative inferences about psychological attributes, such as extraversion, depression and empathy, involve measurement instruments as well as mathematical models that specify how indicators should be aggregated. The type of model that is appropriate for doing so is conditional on the type of relation that exists between an attribute, its facets and its indicators. The common assumption is that

Background: The path between patients and health care providers has adopted new advanced information technologies. However, opinions vary about the digital care meeting. Physicians have expressed concerns about increased workload, changes in working methods, and information security. Purpose: To explore physicians’ experiences and satisfaction of digital primary health care. Method: A convergent m

Membrane fouling is the major factor limiting the wider applicability of the membrane-based technologies in water treatment and in separation and purification processes of biorefineries, pulp and paper industry, food industry and other sectors. Endeavors to prevent and minimize fouling requires a deep understanding on the fouling mechanisms and their relative effects. In this study, Brunauer-Emmet

Background: The changing health care environment promotes the adoption of new information technologies to connect patients and health care providers. However, individuals greatly vary in their ability to use new digital systems, and in their feelings regarding integrity and validation. Caregivers in southern Sweden plan to implement a new digital primary health care (DPHC) service, and patients’ e

The genomes of Asgard Archaea, a novel archaeal proposed superphylum, share an enriched repertoire of eukaryotic signature genes and thus promise to provide insights into early eukaryote evolution. However, the distribution, metabolisms, cellular structures, and ecology of the members within this superphylum are not well understood. Here we provide a meta-analysis of the environmental distribution

Background: Support has been found for using garden therapy as form of intervention for clients with common mental disorders, but no consensus has been found for what contributes to perceived meaningfulness of garden therapy. Aims: To investigate whether participants perceived garden therapy as meaningful, and if so, what contributed to the meaningfulness. Material and methods: Narrative individua

The effect of Fe3O4 nanoparticles and carbon nanotubes (CNTs) on the viscosity of a nanofluid is experimentally investigated from 278 to 313 K by changing the nanoparticle volume fraction. These nanoparticles were put into distilled water with various surfactants, i.e., Colace (docusate sodium), trisodium citrate dihydrate (TSC), polyvinyl pyrrolidone, cetyl trimethylammonium bromide, tetramethyla

We present how the microenvironment can directly improve biocatalytic selectivity of immobilized β-glucosidase. β-Glucosidase from Thermotoga neapolitana was immobilized on a variety of functionalized off-stoichiometric thiol-ene (OSTE) particles, where highest activities were observed for thiol and imidazole functional particles. Compared to the soluble enzyme, the selectivity (rs/rh) between tra

Smooth muscle cells (SMCs) are characterized by a high degree of phenotypic plasticity. Contractile differentiation is governed by myocardin-related transcription factors (MRTFs), in particular myocardin (MYOCD), and when their drive is lost, the cells become proliferative and synthetic with an expanded endoplasmic reticulum (ER). ER is responsible for assembly and folding of secreted proteins. Wh

This paper is based on the Anne Simmonds Memorial Lecture, given by Monika Löffler at the International Symposium on Purine and Pyrimidine Metabolism in Man, Lyon 2019. It is dedicated to H. Anne Simmonds (died 2010) - a founding member of the ESSPPMM, since 2003 Purine and Pyrimidine Society - and her outstanding contributions to the identification and study of inborn errors of purine and pyrimid

This study investigated how preschool children processed and understood critical information in Magical Garden, a teachable agent-based play-&-learn game targeting early math. We analyzed 36 children’s (ages 4–6 years) real-time behavior during game-use to explore whether children: (i) processed the information meant to support number sense development; (ii) showed an understanding of the teac

DNA analysis has seen an incredible development in terms of instrumentation, assays and applications over the last years. Massively parallel sequencing (MPS) and digital PCR are now broadly applied in research and diagnostics, and quantitative PCR is used for more and more practises. All these techniques are based on in vitro DNA polymerization and fluorescence measurements. A major limitation for

Fear of childbirth (FOC) can lead to maternal distress during and after pregnancy. The aim of this randomized controlled trial (RCT) was to examine whether art therapy as an adjunct to midwife-led counseling (study group) could reduce FOC significantly more than midwife-led counseling alone (control group). The on-treatment analysis included 82 women assessed by the Wijma Delivery Expectancy Quest