Embedment of Biosynthesised Silver Nanoparticles in PolyNIPAAm/Chitosan Hydrogel for Development of Proactive Smart Textiles.

A smart viscose fabric with temperature and pH responsiveness and proactive antibacterial and UV protection was developed. PNCS (poly-(N-isopropylakrylamide)/chitosan) hydrogel was used as the carrier of silver nanoparticles (Ag NPs), synthesised in an environmentally friendly manner using AgNO and a sumac leaf extract. PNCS hydrogel and Ag NPs were applied to the viscose fabric by either in situ synthesis of Ag NPs on the surface of viscose fibres previously modified with PNCS hydrogel, or by the direct immobilisation of Ag NPs by the dehydration/hydration of the PNCS hydrogel with the nanodispersion of Ag NPs in the sumac leaf extract and subsequent application to the viscose fibres.

Open-boundary molecular dynamics of ultrasound using supramolecular water models.

Ultrasound can be used to manipulate protein function and activity, as well as for targeted drug delivery, making it a powerful diagnostic and therapeutic modality with wide applications in sonochemistry, nanotechnology, and engineering. However, a general particle-based approach to ultrasound modeling remains challenging due to the significant disparity between characteristic time scales governing ultrasound propagation. In this study, we use open-boundary molecular dynamics to simulate ultrasound waves in liquid water under ambient conditions by employing supramolecular water models, i.

Structure-Stability Relationships in Pt-Alloy Nanoparticles Using Identical-Location Four-Dimensional Scanning Transmission Electron Microscopy and Unsupervised Machine Learning.

Nanoparticulate electrocatalysts for the oxygen reduction reaction are structurally diverse materials. Scanning transmission electron microscopy (STEM) has long been the go-to tool to obtain high-quality information about their nanoscale structure. More recently, its four-dimensional modality has emerged as a tool for a comprehensive crystal structure analysis using large data sets of diffraction patterns.

Bioassay-Guided Isolation and Identification of Antibacterial Compounds from Invasive Tree of Heaven Stem and Trunk Bark.

Flash column chromatographic fractionation of tree of heaven () stem and trunk bark extracts, guided by thin-layer chromatography (TLC)- assay and TLC-heated electrospray high-resolution tandem mass spectrometry (HESI-HRMS/MS), lead to the isolation of six known compounds: (9,11)-13-hydroxy-9,11-octadecadienoic acid (13-HODE, ), (10,12)-9-hydroxy-10,12-octadecadienoic acid (9-HODE, ), hexadecanedioic acid (thapsic acid, ), 16-hydroxyhexadecanoic acid (juniperic acid, ), 16-feruloyloxypalmitic acid (alpinagalanate, ), and canthin-6-one (). Their structures were elucidated by HESI-HRMS/MS and one- and two-dimensional nuclear magnetic resonance (NMR) spectroscopy. This is the first study identifying - in tree.

Assessment of Extracellular Particles Directly in Diluted Plasma and Blood by Interferometric Light Microscopy. A Study of 613 Human and 163 Canine Samples.

Extracellular nanoparticles (EPs) are a subject of increasing interest for their biological role as mediators in cell-cell communication; however, their harvesting and assessment from bodily fluids are challenging, as processing can significantly affect samples. With the aim of minimizing processing artifacts, we assessed the number density () and hydrodynamic diameter () of EPs directly in diluted plasma and blood using the following recently developed technique: interferometric light microscopy (ILM). We analyzed 613 blood and plasma samples from human patients with inflammatory bowel disease (IBD), collected in trisodium citrate and ethylenediaminetetraacetic acid (EDTA) anticoagulants, and 163 blood and plasma samples from canine patients with brachycephalic obstructive airway syndrome (BOAS).

Specific inhibition of fibroblast growth factor receptor 1 signaling by a DNA aptamer.

Impaired fibroblast growth factor receptor (FGFR) signaling is associated with many human conditions, including growth disorders, degenerative diseases, and cancer. Current FGFR therapeutics are based on chemical inhibitors of FGFR tyrosine kinase activity (TKIs). However, FGFR TKIs are limited in their target specificity as they generally inhibit all FGFRs and other receptor tyrosine kinases.

Cytokine-armed pyroptosis induces antitumor immunity against diverse types of tumors.

Inflammasomes are defense complexes that utilize cytokines and immunogenic cell death (ICD) to stimulate the immune system against pathogens. Inspired by their dual action, we present cytokine-armed pyroptosis as a strategy for boosting immune response against diverse types of tumors. To induce pyroptosis, we utilize designed tightly regulated gasdermin D variants comprising different pore-forming capabilities and diverse modes of activation, representing a toolbox of ICD inducers.

Beeswax-poly(vinyl alcohol) composite films for bread packaging.

The study aimed to improve the barrier characteristics of polyvinyl alcohol (PVA) film by adding beeswax (BW) and glycerin and by heat treatment in order to become a potential suitable material for bread packaging. XRD, FTIR and XPS showed new cross-links between PVA and beeswax demonstrating the composite nature of the film. TGA-DTA showed that glycerin reduced the dehydration and that the beeswax improved theirs thermal stability.

Mechanistic Insights and Technical Challenges in Sulfur-Based Batteries: A Comprehensive / Monitoring Toolbox.

Batteries based on sulfur cathodes offer a promising energy storage solution due to their potential for high performance, cost-effectiveness, and sustainability. However, commercial viability is challenged by issues such as polysulfide migration, volume changes, uneven phase nucleation, limited ion transport, and sluggish sulfur redox kinetics. Addressing these challenges requires insights into the structural, morphological, and chemical evolution of phases, the associated volume changes and internal stresses, and ion and polysulfide diffusion within the battery.

Structural Aspects of DNA Gyrase Targeted by Novel Bacterial Topoisomerase Inhibitors.

In this Letter, we present a small series of novel bacterial topoisomerase inhibitors (NTBIs) that exhibit both potent inhibition of DNA gyrase and potent antimycobacterial activity. The disclosed crystal structure of DNA gyrase in complex with DNA and compound from this NBTI series reveals the binding mode of an NBTI in the GyrA binding pocket and confirms the presence and importance of halogen bonding for the excellent on-target potency. In addition, we have shown that compound is a promising DNA gyrase inhibitor, with an IC for gyrase of 0.

Mechanism, Kinetics and Modelling of Phenol Carboxylation Reactions with CO.

Combining carboxylation reactions using carbon dioxide (CO) as a reactant with phenol results in creation of new C-C bonds, and represents one of the most promising routes in sustainable utilization of ubiquitous and readily available resources for production of highly valuable products. This study provides a detailed and well-structured investigation of the effect of various reaction conditions (reactant loading, reaction duration, temperature, CO pressure) on the carboxylation of phenol. Sodium phenoxide carboxylation showed well-resolved trends with variation of temperature and time, and resulted in production of salicylic acid (SA) in the range of 11.

Enzymatic bypass of G-quadruplex structures containing oxidative lesions.

The function of many DNA processing enzymes involves sliding along the double helix or individual DNA strands. Stable secondary structures in the form of G-quadruplexes are difficult for such enzymes to bypass. We used a polymerase stop assay to determine which structural features of the human telomeric and the BCL2 promoter G-quadruplexes can stall progression of the Klenow fragment.

Sulfur Speciation in Li-S Batteries Determined by Laboratory X-ray Emission Spectroscopy.

In this work, sulfur X-ray emission measurements on a Li-S battery cathode were performed using a laboratory setup as an alternative to more common synchrotron radiation based absorption studies. Photoexcitation by an X-ray tube was used. Valence-to-core Kβ X-ray emission spectra were recorded with a wavelength dispersive crystal spectrometer in von Hamos geometry, providing excellent energy resolution and good detection efficiency.

Beyond Dimerization: Harnessing Tetrameric Coiled-Coils for Nanostructure Assembly.

Versatile DNA and polypeptide-based structures have been designed based on complementary modules. However, polypeptides can also form higher oligomeric states. We investigated the introduction of tetrameric modules as a substitute for coiled-coil dimerization units used in previous modular nanostructures.

Responsive deep eutectic solvents: mechanisms, applications and their role in sustainable chemistry.

In an era so focused on sustainability, it is important to improve chemical processes by developing and using more environmentally friendly solvents and technologies. Deep eutectic solvents (DES) have proven to be a promising replacement for conventional solvents. In recent years, a new type of DES has emerged that responds to various stimuli.

Catalytic Reactor-Utilized Ammonia Adsorption, Absorption, and Storage Materials: Mechanism, Nanostructure, and Design.

As the world's technological development shifts toward a sustainable energy future by harnessing renewable energy sources, ammonia is gaining recognition as a complementary green vector to hydrogen. This energy-dense carbon-neutral fuel is capable of overcoming hydrogen's limitations in terms of storage, distribution, and infrastructure deployment. The biggest challenge to the global use of ammonia as an energy storage medium remains more efficient, readily deployable production of ammonia from abundant, yet intermittent, sources.

Assessing the Mechanism of Rac1b: An All-Atom Simulation Study of the Alternative Spliced Variant of Rac1 Small Rho GTPase.

The Rho GTPase family plays a key role in cell migration, cytoskeletal dynamics, and intracellular signaling. Rac1 and its splice variant Rac1b, characterized by the insertion of an Extraloop, are frequently associated with cancer. These small GTPases switch between an active GTP-bound state and an inactive GDP-bound state, a process that is regulated by specific protein modulators.

Electrified Dynamically Responsive Ammonia Decomposition to Hydrogen Based on Magnetic Heating of a Ru Nanocatalyst.

Storing and transporting pressurized or liquid hydrogen is expensive and hazardous. As a result, safer methods, such as chemical storage in ammonia, are becoming increasingly important. However, the instantaneous start of a conventionally heated decomposition reactor is challenging.

All-Atom Simulations Reveal the Effect of Membrane Composition on the Signaling of the NKG2A/CD94/HLA-E Immune Receptor Complex.

Understanding how membrane composition influences the dynamics and function of transmembrane proteins is crucial for the comprehensive elucidation of cellular signaling mechanisms and the development of targeted therapeutics. In this study, we employed all-atom molecular dynamics simulations to investigate the impact of different membrane compositions on the conformational dynamics of the NKG2A/CD94/HLA-E immune receptor complex, a key negative regulator of natural killer cell cytotoxic activity. Our results reveal significant variations in the behavior of the immune complex structure across five different membrane compositions, which include POPC, POPA, DPPC, and DLPC phospholipids, and a mixed POPC/cholesterol system.

Understanding Rate and Capacity Limitations in Li-S Batteries Based on Solid-State Sulfur Conversion in Confinement.

Li-S batteries with an improved cycle life of over 1000 cycles have been achieved using cathodes of sulfur-infiltrated nanoporous carbon with carbonate-based electrolytes. In these cells, a protective cathode-electrolyte interphase (CEI) is formed, leading to solid-state conversion of S to LiS in the nanopores. This prevents the dissolution of polysulfides and slows capacity fade.

Light-Assisted Catalysis and the Dynamic Nature of Surface Species in the Reverse Water Gas Shift Reaction over Cu/γ-AlO.

The reverse water gas shift (RWGS) reaction converts CO and H into CO and water. We investigated Cu/γ-AlO catalysts in both thermally driven and light-assisted RWGS reactions using visible light. When driven by combined visible light and thermal energy, the CO conversion rates were lower than in the dark.

Impact of stress-induced precipitate variant selection on anisotropic electrical properties of piezoceramics.

Precipitation hardening has been recently validated as a new mechanism for domain wall pinning and mechanical loss reduction in piezoelectrics. While anisometric precipitates have high pinning strengths, there is limited knowledge about the electrical anisotropy of the precipitation-hardened piezoceramics. In the present work, we successfully orient the precipitates in LiNaNbO piezoceramics by applying a uniaxial stress during the aging and studied its electrical anisotropy.