Parametric Modelling of the Crystalline Microstructure of the MCM41-Type Mesoporous Silica Modified with Derivatives of Alkyls.

A siliceous material in which a framework order was established with a surfactant with sixteen carbon atoms in alkyl chains, MCM-41-C16, was synthesised, surface-modified, and tested regarding the selected physical properties. The pristine material was extracted in an acidic aqueous alcohol and then lined with different surface groups. The properties of four adsorbents were investigated using XRD, X-ray photoelectron spectroscopy, and N2 physisorption techniques.

Physicochemical and Adsorption Properties of Nanoporous Activated Biocarbons from Thermochemical Treatment of Horsetail Herb.

In this study, the adsorption characteristics of novel activated biocarbons prepared from horsetail herb (a popular and troublesome weed) by physical activation (using carbon dioxide) and chemical one (using phosphoric(V) acid) in the process of simultaneous proteins immobilization in multicomponent solutions were examined. The carbon materials were characterized in terms of their porous structure, acidic-basic properties, and surface morphology. The binding mechanisms of such proteins as bovine serum albumin (BSA) and lysozyme (LSZ), differing in internal stability, were determined alone and in their blends.

Silent Bird Poisoning in Poland: Reconfirmation of Bromadiolone and Warfarin as the Proximal Causes Using GC-MS/MS-Based Methodology for Forensic Investigations.

The extensive use of rodenticides poses a severe threat to non-target species, particularly birds of prey and scavengers. In this study, a GC-MS/MS-based method was used to unlock the cause of bird deaths in Poland. Organs (liver, heart, kidney, and lungs) collected during autopsies of two rooks () and one carrion crow (), as well as fecal samples, were analyzed for the presence of anticoagulant coumarin derivatives, i.

Removal of Iron and Copper Ions and Phenol from Liquid Phase by Membrane Based on Carbonaceous Materials.

The present work reports an effective method for the removal of inorganic and organic pollutants using membranes based on different carbonaceous materials. The membranes were prepared based on cellulose acetate (18 wt. %), polyvinylpyrrolidone as a pore-generating agent (2 wt.

Biochar mitigates the postponed bioavailability and toxicity of phthalic acid esters in the soil.

Observed nowadays wide pollution of the environment with microplastic and phthalic acid esters (PAEs) (such as dimethyl phthalate, DMP; diethyl phthalate, DEP; dibutyl phthalate, DBP; benzyl butyl phthalate, BBP; di-(2-ethylhexyl) phthalate, DEHP and di-n-octyl phthalate, DNOP) is a result of their increased production and usage. Weak bonding with polymer matrix enables their easier mobilization in the environment and increased bioavailability. The aim of the presented studies was the estimation of the fate of six priority PAEs in the soil-vegetable system and the application of biochar to immobilize PAEs in the soil preventing their bioavailability to lettuce.

Religion and Satisfaction with Life in Polish Seniors: Mediation by Forgiveness and Hope.

This study examined the mediating role of forgiveness and hope in the relationship between religiousness and satisfaction with life in late adults in Poland. Participants were 237 people (165 females and 72 males) aged between 60 and 92. The mean age of the sample was 68.

Interplay between the Formation of Colloidal Clathrate and Cubic Diamond Crystals.

Controlling the valency of directional interactions of patchy particles is insufficient for the selective formation of target crystalline structures due to the competition between phases of similar free energy. Examples of such are stacking hybrids of interwoven hexagonal and cubic diamonds with (i) its liquid phase, (ii) arrested glasses, or (iii) clathrates, all depending on the relative patch size, despite being within the one-bond-per-patch regime. Herein, using molecular dynamics simulations, we demonstrate that although tetrahedral patchy particles with narrow patches can assemble into clathrates or stacking hybrids in the bulk, this behavior can be suppressed by the application of external surface potential.

On the selective formation of cubic tetrastack crystals from tetravalent patchy particles.

Achieving the formation of target open crystalline lattices from colloidal particles is of paramount importance for their potential application in photonics. Examples of such desired structures are the diamond, tetrastack, and pyrochlore lattices. Here, we demonstrate that the self-assembly of tetravalent patchy particles results in the selective formation of cubic tetrastack crystals, both in the bulk and in the systems subjected to external fields exerted by the solid substrate.

Studies on the Thermal Decomposition Course of Nitrogen-Rich Heterocyclic Esters as Potential Drug Candidates and Evaluation of Their Thermal Stability and Properties.

Drug candidates must undergo thermal evaluation as early as possible in the preclinical phase of drug development because undesirable changes in their structure and physicochemical properties may result in decreased pharmacological activity or enhanced toxicity. Hence, the detailed evaluation of nitrogen-rich heterocyclic esters as potential drug candidates, i.e.

Removal of Organic Dyes, Polymers and Surfactants Using Carbonaceous Materials Derived from Walnut Shells.

A series of new granular carbonaceous adsorbents was prepared via single-stage physical and chemical activation of walnut shells. Their suitability for removing various types of organic pollutants (represented by dyes, surfactants and water-soluble polymers) from the liquid phase was assessed. The activation of the precursor was carried out with CO and HPO using conventional heating.

Editorial - "Special Collection: 30 Years of PIP" - Physicochemistry of Interfacial Phenomena.

2023 marked the 30 anniversary of the Section of Physicochemistry of Interfacial Phenomena (PIP) of the Polish Chemical Society (PCS). It was established in 1993 on the initiative of members of the Lublin Branch of PCS. On May 18 the same year, the Chairman of the Branch, Prof.

Molecular Dynamics Simulations of Different Nanoparticles at Substrates.

We report the results of large-scale molecular dynamics simulations of adsorption nanoparticles on solid surfaces. The particles were modeled as stiff aggregates of spherical segments. Three types of particles were studied: rods, rectangles, and triangles built of the same number of segments.

Adsorption of Nitrogen Dioxide on Nitrogen-Enriched Activated Carbons.

The aim of this study was to obtain nitrogen-enriched activated carbons from orthocoking coal. The initial material was subjected to a demineralisation process. The demineralised precursor was pyrolysed at 500 °C and then activated with sodium hydroxide at 800 °C.

Effect of zeolites on the reduction of the ecotoxicity of carbamazepine in the environment.

In this study, the impact of calcination of zeolites on the ecotoxicity of carbamazepine solutions in two matrices, water and synthetic sewage, was assessed. Two types of zeolites were tested: natural zeolite, in the form of a zeolite rock consisting mainly of clinoptilolite, and a synthetic zeolite type 5 A. Additionally, zeolites were calcined at a temperature of 200 °C.

Modeling the degradation of polypropylene and polystyrene under shock compression and mechanical cleaving using the ReaxFF force field.

Polypropylene (PP) and polystyrene (PS) underwent a comprehensive investigation into their mechanical and chemical degradation through reactive molecular dynamics simulations. The simulations utilized the ReaxFF force field for CHO (carbon-hydrogen-oxygen) systems in the combustion branch. The study included equilibrium simulations to determine densities and melting temperatures, non-equilibrium simulations for stress-strain and Young moduli determination, mechanical cleaving to identify surface species resulting from material fragmentation, and shock compression simulations to elucidate chemical reactions activated by some external energy sources.

Astragaloside IV as a Memory-Enhancing Agent: In Silico Studies with In Vivo Analysis and Post Mortem ADME-Tox Profiling in Mice.

Many people around the world suffer from neurodegenerative diseases associated with cognitive impairment. As life expectancy increases, this number is steadily rising. Therefore, it is extremely important to search for new treatment strategies and to discover new substances with potential neuroprotective and/or cognition-enhancing effects.

Predicting Organometallic Intermediates in the Surface-Assisted Ullmann Coupling of Chrysene Isomers.

On-surface polymerization of functional organic molecules has been recently recognized as a promising route to persistent low-dimensional structures with tailorable properties. In this contribution, using the coarse-grained Monte Carlo simulation method, we study the initial stage of the Ullmann coupling of doubly halogenated chrysene isomers adsorbed on a catalytically active (111) crystalline surface. To that end, we focus on the formation of labile metal-organic precursor structures preceding the covalent bonding of chrysene monomers.

Size Sensitivity of Metabolite Diffusion in Macromolecular Crowds.

Metabolites play crucial roles in cellular processes, yet their diffusion in the densely packed interiors of cells remains poorly understood, compounded by conflicting reports in existing studies. Here, we employ pulsed-gradient stimulated-echo NMR and Brownian/Stokesian dynamics simulations to elucidate the behavior of nano- and subnanometer-sized tracers in crowded environments. Using Ficoll as a crowder, we observe a linear decrease in tracer diffusivity with increasing occupied volume fraction, persisting─somewhat surprisingly─up to volume fractions of 30-40%.

Poly(Allylamine Hydrochloride) and ZnO Nanohybrid Coating for the Development of Hydrophobic, Antibacterial, and Biocompatible Textiles.

In healthcare facilities, infections caused by () from textile materials are a cause for concern, and nanomaterials are one of the solutions; however, their impact on safety and biocompatibility with the human body must not be neglected. This study aimed to develop a novel multilayer coating with poly(allylamine hydrochloride) (PAH) and immobilized ZnO nanoparticles (ZnO NPs) to make efficient antibacterial and biocompatible cotton, polyester, and nylon textiles. For this purpose, the coated textiles were characterized with profilometry, contact angles, and electrokinetic analyzer measurements.

Investigation of Ionic Polymers' Stabilizing and Flocculating Properties in Dispersed Activated Carbons Systems.

Activated carbons obtained via the thermochemical treatment of lemon balm and mint herbs were applied for ionic polymers adsorption, which directly affects the stability of these types of aqueous suspensions. The examined carbonaceous materials were characterized by well-developed specific surface area (approximately 1000 m/g) and mesoporous structure. The adsorbed amounts of anionic poly(acrylic acid) and cationic polyethyleneimine from one-component solutions reached significant levels, but the efficiency of adsorption of these compounds from binary solutions slightly decreased.

A Study on the Adsorption of Rhodamine B onto Adsorbents Prepared from Low-Carbon Fossils: Kinetic, Isotherm, and Thermodynamic Analyses.

The aim of this study was to obtain a series of activated carbon samples by the chemical activation of low-rank coal. The precursor was impregnated with a NaOH solution. Activated carbons were characterized by determining their textural parameters and content of surface oxygen functional groups and by using an elemental analysis.

Shot Peening Effect on Sliding Wear in 0.9% NaCl of Additively Manufactured 17-4PH Steel.

The growing demand for modern steels showing corrosion and tribological resistance has led to their increased use in the production of medical devices. This study analyzed the effect of shot peening on wear resistance in 0.9% NaCl solution of 17-4PH steel produced by direct laser metal sintering (DMLS) technology.

Preparation of Activated Biocarbons from Cones and their Potential Application for Adsorption of Antibiotics (Tetracycline).

The pine cones (PC), spruce cones (SC) and fir cones (FC) were used for biocarbons preparation. Chemical activation with sodium hydroxide was applied to prepare activated biocarbons. All the materials under investigation were characterized by the N adsorption, scanning electron microscopy (SEM), elemental analysis (CHNS), infrared spectroscopy (ATR FT-IR), and the Boehm's titration method.

eHealth tools use and mental health: a cross-sectional network analysis in a representative sample.

eHealth tools usage is vital for health care systems and increased significantly after the COVID-19 pandemic, which aggravated mental health issues. This cross-sectional study explored whether sociodemographic characteristics and mental health indices (stress and symptoms of anxiety and depression) were linked to the behavioral intention to use eHealth tools and eHealth tools usage in a representative sample from Poland using a network approach. Measurements were conducted in March 2023 among 1000 participants with a mean age of 42.