Evaluation of Encapsulation Potential of Selected Star-Hyperbranched Polyglycidol Architectures: Predictive Molecular Dynamics Simulations and Experimental Validation

Polymers, including non-linear copolymers, have great potential in the development of drug delivery systems with many advantages, but the design requires optimizing polymer–drug interactions. Molecular dynamics (MD) simulations can provide insights into polymer–drug interactions for designing delivery systems, but mimicking formulation processes such as drying is often not included in in silico studies. This study demonstrates an MD approach to model drying of systems comprising either hydrophilic tinidazole or hydrophobic clotrimazole drugs with amphiphilic hyperbranched copolyethers. The simulated drying protocol was critical for elucidating drug encapsulation and binding mechanisms. Experimentally, two polymers were synthesized and shown to encapsulate clotrimazole with up to 83% efficiency, guided by interactions with the hydrophobic core observed in simulations. In contrast, tinidazole is associated with surface regions, indicating capacity differences between drug types. Overall, this work highlights MD simulation of the drying process as an important tool for predicting drug–polymer complex behaviour. The modelled formulation protocol enabled high encapsulation efficiency and opened possibilities for the design of delivery systems based on computationally derived binding mechanisms. This demonstrates a computational–experimental approach where simulated drying was integral to elucidating interactions and developing optimized complexes, emphasizing the value of molecular modelling for the development of drug delivery formulations

Composites Based on Hydroxyapatite and Whey Protein Isolate for Applications in Bone Regeneration

The “Multifunctional biologically active composites for applications in bone regenerative medicine” project is carried out within the TEAM-NET program of the Foundation for Polish Science financed by the European Union under the European Regional Development Fund. The authors gratefully acknowledge the financial support. T.E.L.D. thanks N8 Agrifood for its financial support in the framework of the pump priming grant “Food2Bone”.Hydroxyapatite (HAp) is a bioactive ceramic with great potential for the regeneration of the skeletal system. However, its mechanical properties, especially its brittleness, limit its application. Therefore, in order to increase its ability to transmit stresses, it can be combined with a polymer phase, which increases its strength without eliminating the important aspect of bioactivity. The presented work focuses on obtaining organic–inorganic hydrogel materials based on whey protein isolate (WPI) reinforced with nano-HAp powder. The proportion of the ceramic phase was in the range of 0–15%. Firstly, a physicochemical analysis of the materials was performed using XRD, FT-IR and SEM. The hydrogel composites were subjected to swelling capacity measurements, potentiometric and conductivity analysis, and in vitro tests in four liquids: distilled water, Ringer’s fluid, artificial saliva, and simulated body fluid (SBF). The incubation results demonstrated the successful formation of new layers of apatite as a result of the interaction with the fluids. Additionally, the influence of the materials on the metabolic activity according to ISO 10993-5:2009 was evaluated by identifying direct contact cytotoxicity towards L-929 mouse fibroblasts, which served as a reference. Moreover, the stimulation of monocytes by hydrogels via the induction of nuclear factor (NF)-κB was investigated. The WPI/HAp composite hydrogels presented in this study therefore show great potential for use as novel bone substitutes

Nitro-Grela-type complexes containing iodides – robust and selective catalysts for olefin metathesis under challenging conditions

Iodide-containing nitro-Grela-type catalysts have been synthesized and applied to ring closing metathesis (RCM) and cross metathesis (CM) reactions. These new catalysts have exhibited improved efficiency in the transformation of sterically, non-demanding alkenes. Additional steric hindrance in the vicinity of ruthenium related to the presence of iodides ensures enhanced catalyst stability. The benefits are most apparent under challenging conditions, such as very low reaction concentrations, protic solvents or with the occurrence of impurities

Can Pyomelanin Produced by <i>Pseudomonas aeruginosa</i> Promote the Regeneration of Gastric Epithelial Cells and Enhance <i>Helicobacter pylori</i> Phagocytosis?

Helicobacter pylori (H. pylori) infection is the most common cause of chronic gastritis, peptic ulcers and gastric cancer. Successful colonization of the stomach by H. pylori is related to the complex interactions of these bacteria and its components with host cells. The growing antibiotic resistance of H. pylori and various mechanisms of evading the immune response have forced the search for new biologically active substances that exhibit antibacterial properties and limit the harmful effects of these bacteria on gastric epithelial cells and immune cells. In this study, the usefulness of pyomelanin (PyoM) produced by Pseudomonas aeruginosa for inhibiting the metabolic activity of H. pylori was evaluated using the resazurin reduction assay, as well as in vitro cell studies used to verify the cytoprotective, anti-apoptotic and pro-regenerative effects of PyoM in the H. pylori LPS environment. We have shown that both water-soluble (PyoMsol) and water-insoluble (PyoMinsol) PyoM exhibit similar antibacterial properties against selected reference and clinical strains of H. pylori. This study showed that PyoM at a 1 μg/mL concentration reduced H. pylori-driven apoptosis and reactive oxygen species (ROS) production in fibroblasts, monocytes or gastric epithelial cells. In addition, PyoM enhanced the phagocytosis of H. pylori. PyoMsol showed better pro-regenerative and immunomodulatory activities than PyoMinsol

Converting Unrefined Birch Suberin Monomers into Vitrimer

Suberin extracted from birch bark, a side product of the wood industry, was used as a resin for the synthesis of a biobased vitrimer utilizing the transesterification reaction. Suberin was extracted by hydrolyzing the outer bark of birch trees under alkaline conditions and used further without refining. The resulting resin, natively rich in hydroxyl and carboxyl groups, was polymerized in the presence of various catalysts and a small-molecule polyol to provide an excess of primary OH groups. The study showed that among the catalysts tested, only dibutyltin dilaurate (DBTDL) promoted the transesterification reaction in the polymer matrix to the extent that the polymer could be recycled at elevated temperatures. Furthermore, a chemical recycling route was successfully tested through alkaline hydrolysis and repolymerization of the obtained vitrimer. The resulting suberin vitrimer showed elastomer-like properties with Tg at approximately −20 °C and a Young’s modulus exceeding 1 MPa. It was also demonstrated to be hydrolytically stable under moderately alkaline and acidic conditions

Awareness of Endometriosis Symptoms—A Cross Sectional Survey among Polish Women

Background: Endometriosis is a chronic inflammatory condition characterized by the presence of endometrial-like tissue outside of the uterine cavity. It affects approximately 6–12% among reproductive-age women. Laparoscopy is still the gold standard for diagnosing it. Since an average of couple of years elapses from the onset of symptoms to the definitive diagnosis, analysis of symptoms could serve as a non-invasive diagnostic tool. Methods: An anonymous survey was distributed online in November 2019. It contained 23 closed questions, which covered two areas: knowledge and awareness of endometriosis symptoms and its presence among respondents. Results: A total of 3319 women completed the survey, of which 328 were diagnosed with endometriosis (9.9%). The symptoms of endometriosis most often indicated by the general population were infertility and dysmenorrhea. In contrast, those least frequently indicated were painful defecation and dysuria. Respondents suffering from endometriosis indicated that they often or sometimes experienced dysmenorrhea (83%, n = 273), pelvic pain not related to menstruation (72%, n = 235), dyspareunia (68%, n = 223) and painful defecation or dysuria (40%, n = 132). Conclusions: Since the search for a non-invasive diagnostic endometriosis marker has been conducted for many years without success so far, it seems that awareness of the clinical presentation and reported symptoms may help to provide earlier diagnoses

In Vitro and In Vivo Biocompatibility of Natural and Synthetic <i>Pseudomonas aeruginosa</i> Pyomelanin for Potential Biomedical Applications

Bacteria are the source of many bioactive compounds, including polymers with various physiological functions and the potential for medical applications. Pyomelanin from Pseudomonas aeruginosa, a nonfermenting Gram-negative bacterium, is a black–brown negatively charged extracellular polymer of homogentisic acid produced during L-tyrosine catabolism. Due to its chemical properties and the presence of active functional groups, pyomelanin is a candidate for the development of new antioxidant, antimicrobial and immunomodulatory formulations. This work aimed to obtain bacterial water-soluble (Pyosol), water-insoluble (Pyoinsol) and synthetic (sPyo) pyomelanin variants and characterize their chemical structure, thermosensitivity and biosafety in vitro and in vivo (Galleria mallonella). FTIR analysis showed that aromatic ring connections in the polymer chains were dominant in Pyosol and sPyo, whereas Pyoinsol had fewer Car-Car links between rings. The differences in chemical structure influence the solubility of various forms of pyomelanins, their thermal stability and biological activity. Pyosol and Pyoinsol showed higher biological safety than sPyo. The obtained results qualify Pyosol and Pyoinsol for evaluation of their antimicrobial, immunomodulatory and proregenerative activities

EOSC-SYNERGY EU DELIVERABLE D6.2 Final release of the training platform including the selfdeployable tutorials capabilities, and Hackathon-as-a-Service platform

This document is a formal deliverable which records the final state of the EOSC Synergy Learning Platform and Hackathon as a Service Platform that is the major outcome of the Task 6.1. The EOSC-Synergy approach to training is introduced, followed by the motivation of the choices made for the platform. The detailed analysis of the choices has been provided however as a separate report that has been published already in the initial phase of the project. A set of introductory reusable materials on open science in EOSC delivered as part of the best practices course had been described associated with Task 6.2. The technical development of the tools used on the platform is also described, giving information on deployment, integration, customisation. The report also describes the lessons learned during the course preparations and technical development.EOSC-SYNERGY receives funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 857647.Peer reviewe

Clindamycin-Loaded Nanosized Calcium Phosphates Powders as a Carrier of Active Substances

Bioactive calcium phosphate ceramics (CaPs) are one of the building components of the inorganic part of bones. Synthetic CaPs are frequently used as materials for filling bone defects in the form of pastes or composites; however, their porous structure allows modification with active substances and, thus, subsequent use as a drug carrier for the controlled release of active substances. In this study, four different ceramic powders were compared: commercial hydroxyapatite (HA), TCP, brushite, as well as HA obtained by wet precipitation methods. The ceramic powders were subjected to physicochemical analysis, including FTIR, XRD, and determination of Ca/P molar ratio or porosity. These techniques confirmed that the materials were phase-pure, and the molar ratios of calcium and phosphorus elements were in accordance with the literature. This confirmed the validity of the selected synthesis methods. CaPs were then modified with the antibiotic clindamycin. Drug release was determined on HPLC, and antimicrobial properties were tested against Staphylococcus aureus. The specific surface area of the ceramic has been demonstrated to be a factor in drug release efficiency

Experimental warming and precipitation reduction affect the biomass of microbial communities in a Sphagnum peatland

Due to their unique flora, hydrology and environmental characteristics, peatlands are precious and specific habitats for microorganisms and microscopic animals. Their microbial network structure and their biomass are crucial for peatland carbon cycling, through primary production, as well as decomposition and mineralization of organic matter. Wetlands are one of the ecosystems most at risk from anthropogenic activities and climate change. Most recent scenarios of climate change for Central Europe predict an increase in air temperature and a decrease in annual precipitation. These changes may disturb the biodiversity of aquatic organisms, and the peat carbon sink. Considering the above climatic scenarios, we aimed to: i) assess the response of microbial community biomass to warming and reduced precipitation through the lens of a manipulative experiment in a peatland ecosystem ii) predict how global warming might affect microbial biodiversity on peatlands exposed to warmer temperatures and decreased precipitation conditions. Additionally, we wanted to identify ecological indicators of warming among microorganisms living in Sphagnum peatland. The result of a manipulative experiment carried out at Rzecin peatland (W Poland) suggested that the strongest reduction in microbial biomass was observed in heated plots and plots where heating was combined with a reduction of precipitation. The most pronounced changes were observed in the case of the very abundant mixotrophic testate amoeba Hyalosphenia papilio and cyanobacteria. Shifts in the Sphagnum microbial network can be used as an early warning indicator of peatland warming, especially a decrease in the biomass of important phototrophic microbes living on the Sphagnum capitula, e.g. Hyalosphenia papilio.publishedVersio