439 results match your criteria: "Institute of Chemical Process Fundamentals[Affiliation]"

Complete wetting and drying at sinusoidal walls.

Phys Rev E

July 2025

Czech Academy of Sciences, Institute of Chemical Process Fundamentals, Research Group of Molecular and Mesoscopic Modelling, The , 165 02 Prague, Czech Republic.

We investigate complete wetting and drying at sinusoidally corrugated solid walls, focusing on the effects of wall geometry and interaction range. Two distinct interaction models are considered: one incorporating only short-ranged (SR) forces (applied to drying), and another including long-ranged (LR) van der Waals interactions (applied to wetting). The SR model is analyzed within the framework of nonlocal Hamiltonian theory by Parry et al.

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Pluronics, also known as poloxamers, are amphiphilic triblock copolymers widely employed in drug delivery systems due to their tunable self-assembly and biocompatibility. Among them, Pluronic F68 (Poloxamer 188) exhibits thermoresponsive behavior in aqueous solution, forming ordered supramolecular structures at high concentrations and temperatures. In this work, we investigate the morphological and rheological properties of a 45 wt% Pluronic F68 aqueous system at different temperatures through a combination of experimental and computational approaches.

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Pulsed laser irradiation of an equimolar mixture of FeS and CoS onto a Ta substrate results in the one-step formation of bimetallic iron cobalt sulfide. The use of complementary analytical techniques, such as scanning electron microscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, X-ray diffraction, high-resolution electron microscopy, and electron diffraction, confirmed the presence of nanocrystalline cobaltpentlandite [FeCoS] and maghemite [γ-FeO]. The mechanism by which this occurs involves the reactive interaction of laser-ionized Fe, Co, and S species, which subsequently undergo rapid non-equilibrium cooling and deposition.

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Objectives: Nanotechnology is a fast-growing field in both science and industry. However, experimental studies brought warning data concerning the negative effect of engineered nanoparticle exposure leading to oxidative stress, inflammation, decreased immune cell viability, and genotoxicity. The consequences of human exposure may appear with decades of latency.

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Aim: To investigate the effect of acute (daily) inhalation of nanoparticles (NPs) on the transcriptomic profile of male nanocomposite research workers with a history of long-term exposure (years).

Materials & Methods: Whole genome mRNA and miRNA expression changes were analyzed from blood samples collected before and after machining or welding. Exposure in the work environment was assessed using stationary and personal monitoring.

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This study explores the use of a novel polymeric mesoporous support (pDVB) for solid-phase peptide synthesis (SPPS), with the aim of improving the efficiency and sustainability of the process. The pDVB support, functionalized with the Fmoc-Rink amide linker, offers advantages over conventional supports based on gel-type, lightly crosslinked polymer skeletons, particularly with regard to reduced reliance on swelling capacity, which allows the use of a wider range of solvents. The work focuses on greener and eco-friendly solvents such as TEP, ACN, IPA, and their mixtures with DMSO to replace toxic solvents such as DMF.

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Dissipative particle dynamics (DPD) is an incredibly powerful tool for simulating the behavior of structured fluids. However, identifying the appropriate model parameters to accurately replicate physical properties remains a challenge. This study showcases the benefits of integrating machine learning techniques into the top-down parameterization of Pluronic systems.

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Three types of condensation in open wedges.

Phys Rev E

April 2025

Czech Academy of Sciences, Institute of Chemical Process Fundamentals, Research group of Molecular and Mesoscopic Modelling, The , 165 02 Prague, Czech Republic.

Condensation in linear wedges formed by semi-infinite walls is a well-established critical phenomenon characterized by the continuous growth of an adsorbed liquid layer as bulk two-phase coexistence is approached. In this study, we investigate condensation in finite-length wedges open at both ends, demonstrating that the process becomes first-order. The open boundaries and finite geometry induce a remarkably rich phase behavior of the confined fluid, exhibiting three distinct types of condensation, reentrant phenomena, and continuous higher-order transitions between condensation states.

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Flow-induced particle migration microfluidics-the experimenter's comprehensive review.

Prog Biomed Eng (Bristol)

June 2025

CENAB-Center for Nanomaterials and Biotechnology, Faculty of Science, Jan Evangelista Purkyně University in Ústí nad Labem, Pasteurova 3544/1, 400 96 Ústí nad Labem, Czech Republic.

Building upon the extensive body of work in inertial, viscoelastic, and elasto-inertial microfluidics-collectively classified as flow-induced particle migration microfluidics (FIPMM)-this review delivers an exhaustive synthesis of theoretical foundations and practical advancements in the field. The focus is centered on leveraging microfluidic platforms for the effective separation and manipulation of nanoscale particles such as exosomes. Highlighting the unique advantages and practical challenges of these methods, the review bridges the gap between theory and application.

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This review summarizes the current knowledge in the field of preparing new and/or innovative materials that can be advantageously used for the sorption of emerging pollutants from water. This paper highlights new innovative materials such as transition metal-modified biochar, zeolites, clays, carbon fibers, graphene, metal organic frameworks, and aerogels. These materials have great potential for the removal of heavy metals from water, particularly due to their large surface area, nanoscale size, and availability of various functionalities; moreover, they can easily be chemically modified and recycled.

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Following the early simulation results for simple liquids, various hard body fluids have been used in molecular-based equations of state as a leading/reference term. This has been justified for normal liquids by the similarity of their structure, but for polar and associating ones, a direct application of hard body models has not been considered so far. Viewing the hard body models, fused-hard-sphere bodies, as simple geometrical objects, their mutual interaction is additive.

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Reversible transformations of sulfamethoxazole and its submoieties by manganese-oxidizing bacteria and biogenic manganese oxides in the presence of humic substances.

Environ Sci Process Impacts

May 2025

Czech University of Life Sciences Prague, Faculty of Agrobiology, Food and Natural Resources, Department of Microbiology, Nutrition and Dietetics, Kamýcká 129, Prague 6, 165 00, Czech Republic.

Manganese-oxidizing bacteria (MnOB) and biogenic manganese oxides (BioMnOx) play key roles in the breakdown of organic matter (including pollutants) in water and soil environments. The degradation of some organic compounds (such as sulfonamides selected in this study) by BioMnOx in the presence of active MnOB is poorly understood. Thus far, it has been shown that the transformation of sulfonamides by either BioMnOx or MnOB (but thus far not studied in a binary system) can be modulated using naturally occurring redox mediators, such as humic substances, leading to the formation of coupling products of unknown stability.

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It is well known that a pile of grains starts and stops flowing at different angles of repose. It is also known that such starting and stopping angles exhibit thickness-dependent behavior, with deeper layers beginning to flow more readily and arresting at lower angles than shallower materials. These considerations have motivated various rheological assumptions in granular constitutive laws.

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The scale-down of reaction processes by microreactors enables significant benefits over the applications of conventional reactors due to the intensification of reaction which become an emerging prospect in the environmental engineering. In the last decades, there has been a rapid pollution increase connected with various industries, in particular due to the dye and textile industries, which generate huge amounts of wastewater containing organic dyes. The abatement of dyes in wastewater using microreactors therefore has great potential.

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From predictors and SHAKE toward unified integration scheme for molecular dynamics.

J Chem Phys

February 2025

Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technická 5, 166 28 Prague 6, Czech Republic and Research Group of Molecular and Mesoscopic Modelling, The Czech Academy of Sciences, Institute of Chemical Process Fundamentals, Rozvojová 135, 165 00 Prague 6, Czech

Molecular dynamics (MD) simulations applied to various special tasks such as thermostats, barostats, external volume control, or external magnetic fields often require tailored integration methods, complicating software development. Here, we propose a unified integration scheme for solving the common sets of equations of motion in MD. To achieve this, we adapted the traditional SHAKE method for treating rigid bonds to a predictor-corrector integration scheme and combined it with the existing time-reversible velocity predictor and box predictor.

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TiO nanoparticles (NPs) are extensively used in various applications, highlighting the importance of ongoing research into their effects. This work belongs among rare whole-body inhalation studies investigating the effects of TiO NPs on mice. Unlike previous studies, the concentration of TiO NPs in the inhalation chamber (130.

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Asymptotic properties of bridging transitions in sinusoidally shaped slits.

Phys Rev E

December 2024

University of Chemistry and Technology, Czech Academy of Sciences, Institute of Chemical Process Fundamentals, The , Department of Molecular Modelling, 165 02 Prague, Czech Republic and Department of Physical Chemistry, Prague, 166 28 Prague, Czech Republic.

We study bridging transitions that emerge between two sinusoidally shaped walls of amplitude A, wavenumber k, and mean separation L. The focus is on weakly corrugated walls to examine the properties of bridging transitions in the limit when the walls become flat. The reduction of walls roughness can be achieved in two ways which we show differ qualitatively: (i) By decreasing k, (i.

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Efficient and safe carriers of genetic material are crucial for advancing gene therapy. Three new series of cationic dendritic nanocarriers based on a carbosilane scaffold, differentiated by peripheral modifications: saccharide (CS-glyco), amine (CS-N), and phosphonium dendrimers (CS-P) were designed for binding, protecting, and releasing polyanionic compounds like therapeutic siRNA. Besides introducing synthetic methodology, this study brings a unique direct interstructural comparison of 16 dendritic nanovector's characteristics, addressing a gap in typical research that focuses on uniform structural types.

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Chiral helical scaffolds: Unlocking their potential in biomolecular interactions and biomedical applications.

Biotechnol Adv

April 2025

Department of Medical Chemistry and Biochemistry, Faculty of Medicine and Dentistry, Palacky University, Hnevotinska 3, 775 15 Olomouc, Czech Republic. Electronic address:

Article Synopsis
  • Molecules with spiral geometry, like DNA and proteins, are common in nature and serve as a basis for exploring helicenes, which are carbon-rich structures with unique optical and chiral properties.
  • Helicienes are gaining traction in biomedicine for their applications in cell imaging, drug delivery systems, protective coatings for implants, biosensors, and drug discovery due to their ability to interact with biomolecules.
  • The review highlights recent advancements in helicene derivatives that improve luminescence and photochemical properties, emphasizing their significance in enhancing bio-imaging and diagnostics in biomedical technology.
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Aerosol particles in the PM fraction considerably influence the climate-related effects of aerosols and impact human health despite representing very variable fractions of the total aerosol mass concentration. Aerosol optical measurement techniques (aerosol light scattering) may not be sufficiently effective for detecting all particles in the PM fraction, particularly regarding number concentration. The present study investigates temporal variations of aerosol light scattering properties and particle number concentration (PNC) at different size modes in the PM fraction at the atmospheric site ATOLL (The Atmospheric Observations in Lille), Northern France from January 2018 to February 2023.

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Safety assessment on CBD-rich hemp extract in sub-chronic cross-sex study with rats.

Toxicol Appl Pharmacol

February 2025

Department of Medical Chemistry and Biochemistry, Faculty of Medicine and Dentistry, Palacky University, Hnevotinska 3, 775 15 Olomouc, Czech Republic. Electronic address:

Cannabidiol (CBD) is a phytocannabinoid from Cannabis sativa L., in which there is currently growing interest for medicinal use. Here, we focused on the safety and pharmacokinetics of a CBD-rich (77 %, w/w) full-spectrum hemp extract in male and female rats.

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In this study, we introduce an synthesis technique for incorporating gold nanoparticles (AuNPs) into a magnetic nanocomposite made of glucosamine and alginate (GluN/Alg) ionotropic gelation. GluN acted as a reducing agent for gold ions, leading to the formation of AuNPs which embedded in the nanocomposite FeO@GluN/Alg. Analytical techniques confirmed the crystallite structure of the nanocomposite AuNPs/FeO@GluN/Alg, which had an average size of 30-40 nm.

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Exposure of cell cultures at air-liquid interface (ALI), mimicking i.e. human lung surface, is believed to be one of the most realistic means to model toxicity of complex mixtures of pollutants on human health.

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Carbonaceous aerosols (CA), composed of black carbon (BC) and organic matter (OM), significantly impact the climate. Light absorption properties of CA, particularly of BC and brown carbon (BrC), are crucial due to their contribution to global and regional warming. We present the absorption properties of BC (b) and BrC (b) inferred using Aethalometer data from 44 European sites covering different environments (traffic (TR), urban (UB), suburban (SUB), regional background (RB) and mountain (M)).

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Ten samples of mineral fraction derived from waste incineration bottom ash (MIBA) from Denmark (N = 7), Sweden (N = 1), and the Czech Republic (N = 2) underwent targeted analysis of 59 per- and polyfluoroalkyl substances (PFAS) in the solid phase and eluates from a batch leaching test at a liquid-to-solid ratio of 2 L/kg. The solid content, expressed as ΣPFAS, ranged from 0.21 ± 0.

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