Changes in the pulmonary surfactant in patients with mild to moderate COVID-19.

Introduction: Changes in the pulmonary surfactant have been seen in severe COVID-19, but data on mild to moderate COVID-19 is scarce. The aim of this study was to explore the protein and phospholipid profiles in the small airways in patients with mild to moderate COVID-19.

Methods: 29 cases with COVID-19 and 17 healthy controls were examined at baseline.

A single dose of corifollitropin alfa is equipotent to a daily dose of 300 IU recombinant FSH regardless of ovarian reserve.

Research Question: What dose of daily recombinant FSH (recFSH) provides a similar ovarian response as a single dose of corifollitropin alfa (CFA) overall and in women with different ovarian reserves?

Design: This retrospective analysis of three randomized trials included 1715 patients who received a single injection of CFA and 1577 patients who were treated with daily follitropin beta with a fixed starting dose for the first week of stimulation. Data were adjusted for antral follicle count (AFC), age, body weight, and interaction between AFC and age. The dose of follitropin beta corresponding to CFA was estimated by including log(dose) as a covariate in the model.

A perspective on the apparent pKa of ionizable lipids in mRNA-LNPs.

Lipid nanoparticles (LNPs) have enabled the vaccine and therapeutic use of RNA molecules. To fully exploit the wide therapeutic potential of these types of therapies, a better understanding of the physicochemical properties-activity relationship for LNPs carrying RNA-based therapies is needed. The apparent pKa (pKa) of the instrumental ionizable lipids (ILs) in siRNA- and mRNA-loaded LNPs is one of the few physicochemical parameters that have been identified as critical for high in vivo potency.

High-consistency modification of cellulose fibers: Resource-efficient introduction of cationic charges, and their effect on fiber and nanofibril properties.

Quaternized cellulose fibers and cellulose nanofibrils (CNFs) are attractive candidates for the development of new renewable and biodegradable materials. However, the etherification reaction, through which functionalization is commonly achieved, provides low efficiencies, limiting industrial interest in the modification. This work primarily aims to increase the efficiency for the quaternization of cellulosic fibers while keeping the fiber-structure intact.

Effects of Ring Opening and Chemical Modification on the Properties of Dry and Moist Cellulose─Predictions with Molecular Dynamics Simulations.

Thermoplastic properties in cellulosic materials can be achieved by opening the glucose rings in cellulose and introducing new functional groups. Using molecular dynamics, we simulated amorphous cellulose and eight modified versions under dry and moist conditions. Modifications included ring openings and functionalization with hydroxy, aldehyde, hydroxylamine, and carboxyl groups.

Melt processing of chemically modified cellulosic fibres with only water as plasticiser: Effects of moisture content and processing temperature.

To replace petroleum-derived polymers with cellulose fibres, it is desirable to have the option of melt processing. However, upon heating, cellulose degradation typically starts before the material reaches its softening temperature. Alternatives to plastics should also, ideally, be recyclable via existing recycling streams.

On the determination of charge and nitrogen content in cellulose fibres modified to contain quaternary amine functionality.

Research interest in quaternization of cellulose fibres has increased considerably over the past decades. However, there is little or no consensus regarding how to characterize the material in terms of degree of substitution (DS), and the literature suggests a range of different methods focusing on charge determination as well as nitrogen content quantification. This work aims to fill the knowledge gap regarding how the different methods perform in relation to each other, and for what cellulosic systems each method has advantages, disadvantages and even potential pitfalls.

Molecular dynamics simulations of lipid composition and its impact on structural and dynamic properties of skin membrane.

The stratum corneum (SC) plays the most important role in the absorption of topical and transdermal drugs. In this study, we developed a multi-layered SC model using coarse-grained molecular dynamics (CGMD) simulations of ceramides, cholesterol, and fatty acids in equimolar proportions, starting from two different initial configurations. In the first approach, all ceramide molecules were initially in the hairpin conformation, and the membrane bilayers were pre-formed.

Effect of Data Quality and Data Quantity on the Estimation of Intrinsic Solubility: Analysis Based on a Single-Source Data Set.

Aqueous solubility is one of the most important physicochemical properties of drug molecules and a major driving force for oral drug absorption. To date, the performance of in silico models for the estimation of solubility for novel chemical space is limited. To investigate possible reasons and remedies for this, the Johnson and Johnson in-house aqueous solubility data with over 40,000 compounds was leveraged.

Ecological filtering drives rapid spatiotemporal dynamics in fish skin microbiomes.

Skin microbiomes provide vital functions, yet knowledge about the drivers and processes structuring their species assemblages is limited-especially for non-model organisms. In this study, fish skin microbiome was assessed by high throughput sequencing of amplicon sequence variants from metabarcoding of V3-V4 regions in the 16S rRNA gene on fish hosts subjected to the following experimental manipulations: (i) translocation between fresh and brackish water habitats to investigate the role of environment; (ii) treatment with an antibacterial disinfectant to reboot the microbiome and investigate community assembly and priority effects; and (iii) maintained alone or in pairs to study the role of social environment and inter-host dispersal of microbes. The results revealed that fish skin microbiomes harbour a highly dynamic microbial composition that was distinct from bacterioplankton communities in the ambient water.

Drug solubilization in dog intestinal fluids with and without administration of lipid-based formulations.

The use of animal experiments can be minimized with computational models capable of reflecting the simulated environments. One such environment is intestinal fluid and the colloids formed in it. In this study we used molecular dynamics simulations to investigate solubilization patterns for three model drugs (carvedilol, felodipine and probucol) in dog intestinal fluid, a lipid-based formulation, and a mixture of both.

Structure-properties relationships of defined CNF single-networks crosslinked by telechelic PEGs.

The high structural anisotropy and colloidal stability of cellulose nanofibrils' enable the creation of self-standing fibrillar hydrogel networks at very low solid contents. Adding methacrylate moieties on the surface of TEMPO oxidized CNFs allows the formation of more robust covalently crosslinked networks by free radical polymerization of acrylic monomers, exploiting the mechanical properties of these networks more efficiently. This technique yields strong and elastic networks but with an undefined network structure.

Corrigendum: Dose-dependent stimulation of human follicular steroidogenesis by a novel rhCG during ovarian stimulation with fixed rFSH dosing.

[This corrects the article DOI: 10.3389/fendo.2022.

Effects of environmental translocation and host characteristics on skin microbiomes of sun-basking fish.

Variation in the composition of skin-associated microbiomes has been attributed to host species, geographical location and habitat, but the role of intraspecific phenotypic variation among host individuals remains elusive. We explored if and how host environment and different phenotypic traits were associated with microbiome composition. We conducted repeated sampling of dorsal and ventral skin microbiomes of carp individuals () before and after translocation from laboratory conditions to a semi-natural environment.

Molecular dynamics study on micelle-small molecule interactions: developing a strategy for an extensive comparison.

Theoretical predictions of the solubilizing capacity of micelles and vesicles present in intestinal fluid are important for the development of new delivery techniques and bioavailability improvement. A balance between accuracy and computational cost is a key factor for an extensive study of numerous compounds in diverse environments. In this study, we aimed to determine an optimal molecular dynamics (MD) protocol to evaluate small-molecule interactions with micelles composed of bile salts and phospholipids.

Revealing the interaction between peptide drugs and permeation enhancers in the presence of intestinal bile salts.

Permeability enhancer-based formulations offer a promising approach to enhance the oral bioavailability of peptides. We used all-atom molecular dynamics simulations to investigate the interaction between two permeability enhancers (sodium caprate, and SNAC), and four different peptides (octreotide, hexarelin, degarelix, and insulin), in the presence of taurocholate, an intestinal bile salt. The permeability enhancers exhibited distinct effects on peptide release based on their properties, promoting hydrophobic peptide release while inhibiting water-soluble peptide release.

Analysis of stabilization mechanisms in β-lactoglobulin-based amorphous solid dispersions by experimental and computational approaches.

Our previous work shows that β-lactoglobulin-stabilized amorphous solid dispersion (ASD) loaded with 70 % indomethacin remains stable for more than 12 months. The stability is probably due to hydrogen bond networks spread throughout the ASD, facilitated by the indomethacin which has both hydrogen donors and acceptors. To investigate the stabilization mechanisms further, here we tested five other drug molecules, including two without any hydrogen bond donors.

Exhaled breath particles as a novel tool to study lipid composition of epithelial lining fluid from the distal lung.

Background: Surfactant phospholipid (PL) composition plays an important role in lung diseases. We compared the PL composition of non-invasively collected exhaled breath particles (PEx) with bronchoalveolar lavage (BAL) and induced sputum (ISP) at baseline and following endotoxin (LPS) challenges.

Methods: PEx and BAL were collected from ten healthy nonsmoking participants before and after segmental LPS challenge.

Distinct Fluorescence Optical Imaging Patient Clusters Emerge for Seropositive and Seronegative Rheumatoid Arthritis.

Objective: To investigate whether digital activity fluorescence optical imaging (FOI) patterns of inflammation can identify distinct rheumatoid arthritis (RA) phenotypes.

Methods: The hands of newly diagnosed patients with RA were evaluated by clinical examination, musculoskeletal ultrasound, and FOI. Inflammation on FOI was defined when capillary leakage and/or fluorophore perfusion was present.

Hornification of cellulose-rich materials - A kinetically trapped state.

The fundamental understanding concerning cellulose-cellulose interactions under wet and dry conditions remains unclear. This is especially true regarding the drying-induced association of cellulose, commonly described as an irreversible phenomenon called hornification. A fundamental understanding of the mechanisms behind hornification would contribute to new drying techniques for cellulose-based materials in the pulp and paper industry while at the same time enhancing material properties and facilitating the recyclability of cellulose-rich materials.

Certolizumab pegol, abatacept, tocilizumab or active conventional treatment in early rheumatoid arthritis: 48-week clinical and radiographic results of the investigator-initiated randomised controlled NORD-STAR trial.

Background: The optimal first-line treatment in early rheumatoid arthritis (RA) is debated. We compared clinical and radiographic outcomes of active conventional therapy with each of three biological treatments with different modes of action.

Methods: Investigator-initiated, randomised, blinded-assessor study.

Conventional outcome reporting per IVF cycle/embryo transfer may systematically underestimate chances of success for women undergoing ART: relevant biases in registries, epidemiological studies, and guidelines.

Pre-conception counselling and management of expectations about chance of success of IVF/ICSI treatments is an integral part of fertility care. Registry data are usually used to inform patients about expected success rates of IVF/ICSI treatment, as these data should best represent real-world populations and clinical practice. In registries, the success rate of IVF/ICSI treatments is conventionally reported per treatment cycle or per embryo transfer and estimated from data for which several treatment attempts per subject have been pooled (e.

Live birth rates following individualized dosing algorithm of follitropin delta in a long GnRH agonist protocol.

Purpose: To explore the efficacy and safety of individualized follitropin delta dosing, based on serum anti-Müllerian hormone (AMH) concentration and bodyweight, in a long gonadotropin-releasing hormone (GnRH) agonist protocol.

Methods: Clinical outcomes after one treatment cycle are reported in women with AMH: 5-35 pmol/L. Oocytes were inseminated by intracytoplasmic sperm injection, blastocyst transfer was on Day 5 and remaining blastocysts were cryopreserved.