Oxidative dissolution of nano- and microparticles of lead in water.

Lead is an extremely hazardous pollutant that poses a severe threat to the ecosystem. It enters the atmosphere in the form of nano- and microparticles and is then carried by wind and water. These particles easily dissolve in water, turning into ions which are easily absorbed by living organisms.

Drug-induced regeneration of pancreatic beta cells: An approach to cellular therapeutic targets.

Diabetes mellitus is a common and serious metabolic disease globally, characterized by increased blood glucose levels. The major pathogenesis is the functional impairment of insulin-producing beta cells in the pancreas and the lack of insulin secretion. Although both type 1 and type 2 diabetes develop through distinct pathological mechanisms, they lead to the destruction and/or dysfunction of beta cells, resulting in inadequate beta cell mass to maintain normal blood glucose levels.

Tailoring Composite Microstructure Through Milling for Dry-Processed Sulfide-Based Solid-State Battery Cathodes.

While the effects of new solid electrolytes and active materials in cathode composites for solid-state batteries are being intensively researched, little is known about the influence of mechanical processing on the properties of these composites. Here, the influence of mechanical process parameters on the production of LiPSCl and LiNiCoMnO composite cathodes applying a planetary ball milling process is systematically investigated. It is shown that the milling process has a significant influence on the microstructure of the composite by affecting the solid electrolyte particle size and the formation of electrolyte-active material aggregates.

Computation of Exchange Couplings by Means of an Exchange-Dedicated Perturbation Theory.

The accurate computation of high-spin/low-spin gaps remains a challenging task in computational chemistry, with significant implications for both theoretical studies and experimental applications. In this work, we present an exchange-dedicated perturbation theory (EDPT2) that allows an efficient calculation of exchange couplings in magnetic systems. Our approach builds on a previously developed second-order perturbative scheme based on de Loth's formalism but refines the treatment of singlet wave functions by explicitly incorporating ionic determinants in the zeroth-order description.

Expanding the Family of Heterostructured CdSe/CdS Core/Crown Nanoplatelets: Six- and Seven-Monolayers-Thick Species.

The growth of atomically flat CdSe nanoplatelets (NPLs) thicker than 5 monolayers (ML) remains a major challenge in colloidal semiconductor synthesis, particularly for core/crown heterostructures. Here we report the successful synthesis of zinc-blende CdSe NPLs with unprecedented thicknesses of 6 and 7 ML, exhibiting sharp photoluminescence at 579 and 596 nm, respectively. We demonstrate that these thick NPLs can serve as cores for CdSe/CdS core/crown heterostructures, confirmed by lateral size expansion and the emergence of characteristic CdS absorption features.

Identification of the Mechanisms of a Localized Surface Plasmon Resonance Peak Blue Shift in Magnetic Field Pretreated ZnO/Ag Nanocomposites.

Zinc oxide-based nanocomposites are of great scientific interest due to their unique optical properties, making them promising materials for applications in plasmonic and sensor systems. In this study, we pay special attention to the analysis of the magnetic field-induced blue shift of the localized surface plasmon resonance (LSPR) peak in ZnO/Ag nanocomposites. This phenomenon was investigated because of its unexpected manifestation in nonmagnetic semiconductor-based systems that may have a potential for developing magnetically tunable plasmonic devices.

Speciation and Complex Formation of Zirconium(IV) with Tc(VII) and Re(VII) in Liquid-Liquid Extraction Systems.

The formation of Tc-(VII)-Zr-(IV) species in nitric acid and their extraction in kerosene/tributyl phosphate (TBP) phases was studied. The technetium distribution coefficient ( ) was evaluated as a function of nitric acid concentration (1-7 M) and is in the range of 25-37, which is significantly higher compared to solutions that do not contain zirconium and confirms the synergism of their coextraction. Emphasis was placed on 1 M HNO solution, which is the initial concentration used in uranium extraction during spent nuclear fuel reprocessing.

A fast electrochemical quartz crystal microbalance (EQCM) evidences the presence of nanobubbles in alkaline water splitting.

A fast electrochemical quartz crystal microbalance with dissipation monitoring (EQCM-D) was used to study the formation of hydrogen bubbles at a cathode during water splitting. Different metal surfaces behaved similarly. The kinetics revealed two time scales.

On the performance of DFT/MRCI for singlet-triplet gaps and emission energies of thermally activated delayed fluorescence molecules.

This work investigates the performance of the density functional theory multireference configuration interaction (DFT/MRCI) method for the donor-acceptor and multi-resonance thermally activated delayed fluorescence (TADF) emitters of the recent STGABS27 benchmark set [L. Kunze, A. Hansen, S.

Raman Spectroscopy Can Identify Acute and Persistent Biochemical Changes in Leukocytes From Patients With COVID-19 and Non-COVID-19-Associated Sepsis.

Sepsis remains a major clinical challenge, often resulting in long-term physiological and immunological disturbances. This study employed high-throughput single-cell Raman spectroscopy to analyze the biochemical profiles of peripheral blood leukocytes from patients with non-COVID-19 and COVID-19-associated sepsis. Leukocytes were assessed at multiple timepoints, including the acute phase (Days 3 and 7 after sepsis onset) and late recovery phase (6 and 12 months after sepsis onset).

Aerosol iodide accelerates reactive nitrogen cycling in the marine atmosphere.

Reactive nitrogen plays critical roles in atmospheric chemistry, climate, and geochemical cycles, yet its sources in the marine atmosphere, particularly the cause of the puzzling daytime peaks of nitrous acid (HONO), remain unexplained. Here we reveal that iodide enhances HONO production during aqueous nitrate photolysis by over tenfold under typical marine conditions. Laboratory experiments and molecular simulations confirm that HONO formation from nitrate photolysis is a surface-dependent process, and the extreme surface propensity of iodide facilitates nitrate enrichment at interfaces, reducing the solvent cage effect and promoting HONO release.

Investigating alveolar macrophages in an human ex vivo precision-cut lung slice model of SARS-CoV-2 infection using Raman spectroscopy-A case study.

Background: Alveolar macrophages (AMs) are crucial innate immune cells that play important roles during infection with severe acute respiratory syndrome coronavirus type 2 (SARS-CoV-2). Ex vivo human precision-cut lung slices (PCLSs) are well-suited models to study immune reactions and biochemical changes within host cells as well as to follow functional macrophage phenotype plasticity within complex tissue environment. Raman spectroscopy emerged in recent years as a powerful method for label-free cell characterization.

Multi-state catch bond formed in the Izumo1:Juno complex that initiates human fertilization.

Izumo1:Juno-mediated adhesion between sperm and egg cells is essential for mammalian sexual reproduction. However, conventional biophysical and structural approaches have provided only limited functional insights. Using atomic force microscopy-based single-molecule force spectroscopy and all-atom steered molecular dynamic simulations, we explore the role of mechanical forces in regulating the human Izumo1:Juno complex.

Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory.

The description of strongly correlated systems interacting with quantized cavity modes poses significant theoretical challenges due to the combinatorial scaling of the electronic and photonic degrees of freedom. Recent advances addressing this complexity include cavity quantum electrodynamics (QED) generalizations of complete active space configuration interaction and density matrix renormalization group methods. In this work, we introduce a QED extension of state-averaged complete active space self-consistent field theory, which incorporates cavity-induced correlations through a second-order orbital optimization framework with robust convergence properties.

Light-induced conformational switching and magnetic sensitivity of Drosophila cryptochrome.

Cryptochromes are light-sensitive flavoproteins with various biological roles, including a proposed function in magnetoreception. This mechanism rests on a magnetically sensitive photochemical reaction of the flavin chromophore with a chain of tryptophan residues within the protein scaffold. However, the protein-mediated mechanisms of magnetic signal transduction are unclear.

Mn(III)-porphyrins in battle against neurodegenerative and cancer diseases.

Manganese(III)-porphyrins - Mn(III)P-exhibit remarkable redox activity, influencing oxidative and antioxidative processes in biological systems. In this study, we explore the dual roles of Mn(III)-2-TE-PyP and Mn(III)-4-TE-PyP in modulating hyaluronan degradation, a key factor in both neuroprotection and cancer therapy. While Mn(III)-2-TE-PyP enhances oxidative degradation of high-molecular weight hyaluronan, facilitating immune recognition of cancer cells, its structural isomer Mn(III)-4-TE-PyP acts as a potent antioxidant, safeguarding neuronal integrity against oxidative stress.

Mechanism and Kinetics of Non-Electroactive Chlorate Electroreduction via Catalytic Redox-Mediator Cycle Without Catalyst's Addition (EC-Autocat Process).

In the context of chlorate's application as a cathodic reagent of power sources, the mechanism of its electroreduction has been studied in electrochemical cells under diffusion-limited current conditions with operando spectrophotometric analysis. Prior to electrolysis, the electrolyte is represented as an aqueous mixed NaClO + HSO solution (both components being non-electroactive within the potential range under study), without addition of any external electroactive catalyst. In the course of potentiostatic electrolysis, both the cathodic current and the ClO concentration demonstrate a temporal evolution clearly pointing to an autocatalytic mechanism of the process (regions of quasi-exponential growth and of rapid diminution, separated by a narrow maximum).

New Glass-Ceramics in the System CaSiO-Ca(PO)-Phase Composition, Microstructure, and Effect on the Cell Viability.

The CaO-SiO-PO system is one of the main systems studied aiming for the synthesis of new bioactive materials for bone regeneration. The interest in materials containing calcium-phosphate-silicate phases is determined by their biocompatibility, biodegradability, bioactivity, and osseointegration. The object of the present study is the synthesis by the sol-gel method of biocompatible glass-ceramics in the CaSiO-Ca(PO) subsystem with the composition 6CaSiO·Ca(PO) = Ca(PO)(SiO).

Effect of Anodic Aluminium Oxide Structure on the Electroless Ni-P Distribution into Nanopores.

The anodization of aluminium/aluminium alloys is widely used to produce anodic nanoporous networks for metal layered structures, with applications in energy harvesting technologies and sensor systems. Anodic aluminium oxide (AAO) with thickness of ~10 μm and average pore diameter of 13, 33, and 95 nm is prepared by tuning acids and voltages, being further used for electroless nickel deposition, performed for 10 min using conventional electrolyte with sodium hypophosphite reductor and pH 4.5.

Barium Titanate-Based Glass-Ceramics Crystallized from Multicomponent Oxide Glasses: Phase Composition and Microstructure.

The interest in synthesizing new dielectric materials is caused by their potential application in various electronic and sensor devices as well as in a large variety of electronic components. The present work reports the synthesis of glasses in the NaO/AlO/BaO/ZrO/TiO/BO/SiO system prepared by melt-quenching. These glasses were then crystallized to glass-ceramics by a controlled thermal treatment.

New Antimicrobial Gels Based on Clove Essential Oil-Cyclodextrin Complex and Plant Extracts for Topical Use.

This study aimed to develop and characterise novel hydrogels based on natural bioactive compounds for topical antimicrobial applications. Four gel systems were formulated using different polymers, namely polyacrylic acid (Carbopol 940, CBP-G), chitosan with high and medium molecular weights (CTH-G and CTM-G), and sodium alginate (ALG-G), incorporating tinctures of and , essential oil, and a -cyclodextrin-clove essential oil complex. All gels displayed a homogeneous macroscopic appearance and maintained stability for over 90 days.

Multimodal Integration Enhances Tissue Image Information Content: A Deep Feature Perspective.

Multimodal imaging techniques have the potential to enhance the interpretation of histology by offering additional molecular and structural information beyond that accessible through hematoxylin and eosin (H&E) staining alone. Here, we present a quantitative approach for comparing the information content of different image modalities, such as H&E and multimodal imaging. We used a combination of deep learning and radiomics-based feature extraction with different information markers, implemented in Python 3.

Correction: Chukavin et al. Redox-Active Cerium Fluoride Nanoparticles Selectively Modulate Cellular Response against X-ray Irradiation In Vitro. 2024, , 11.

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Force-induced transition state rupture enables mechanistic control in aziridine mechanochemistry.

Besides long established thermal and photochemical activation of chemical reactivity, mechanical forces emerged as a further tool to drive reactions. Molecular motifs which undergo particular transformations under external force, so called mechanophores, are oftentimes small cyclic structures which can easily be activated due to their inherent ring strain. In the ring-opening of -substituted 4 π-electron mechanophores, the pulling force activates the Woodward-Hoffmann-forbidden disrotatory reaction, which can compete with the allowed conrotatory reaction.

Analyzing the internal interface in localized high-concentration electrolytes.

We present molecular dynamics simulations on localized high-concentration electrolytes (LHCE) based on the conducting salt lithium bis(fluorosulfonyl)imide (LiFSI) or lithium bis(trifluoromethanesulfonyl)imide dissolved in the solvent 1,2-dimethoxyethane and diluted to two different degrees with the diluent 1,1,2,2-tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether. Due to the immiscibility of the conducting salt phase (salt + solvent) and the diluent phase, LHCEs feature a complex microstructure of two phases forming an internal interface. In this study, we not only investigate the lithium coordination structure in the conducting salt phase but also the size and composition of its interface to the diluent phase by Voronoi tessellations.