Browse Articles

Differential antioxidant pathways displayed by Chlamydomonas reinhardtii exposed to selected NSAIDs

Abstract The chemically diverse group of nonsteroidal anti-inflammatory drugs (NSAIDs) is a significant source of aquatic pollution, inducing oxidative stress in algae. The aim of this study was to evaluate the antioxidant response of Chlamydomonas reinhardtii exposed to four NSAIDs differing in toxicity and structure: flufenamic acid (FFA), nabumetone (NBT), ibuprofen (IBU), and naproxen (NPX). This study demonstrated that all pharmaceuticals significantly increased H₂O₂ production, confirming redox imbalance in cells. The antioxidant defense also showed compartment- and compound-specific signatures depending on the NSAID toxicity level. Less toxic IBU and NPX induced coordinated SOD isoforms and catalase activation, while more toxic FFA and NBT triggered chloroplast-targeted H₂O₂ scavenging via APX pathways. Notably, MSD3 transcript levels increased in all treatments, indicating its potential as an NSAID stress biomarker. IBR analysis demonstrated that antioxidant efficiency decreased with increasing NSAID toxicity. These findings demonstrate that NSAID toxicity shapes compartment- and isoform-specific antioxidant strategies in C. reinhardtii. We believe that future studies with a broader range of NSAIDs would enable us to investigate subcellular redox dynamics using compartment-specific ROS reporters and to identify NSAID-sensitive biomarkers for aquatic ecotoxicology monitoring.

Elucidating Kinetic‐Mediated Polymerization Behavior for In Situ Formation of Fluorine‐Containing Gel Polymer Electrolyte

ABSTRACT Fluorinated gel polymer electrolytes (FGPEs) prepared via in situ polymerization are expected to expedite the large‐scale application of lithium metal batteries (LMBs) by enabling stable LiF‐rich solid electrolyte interphases (SEIs) and good compatibility with high‐voltage cathodes. However, the electron‐withdrawing nature of fluorine units retards polymerization kinetics of such monomers, resulting in GPEs with compromised mechanical performance and cycling durability. Herein, a design principle for in situ formation of fluorinated copolymers is proposed to regulate the polymerization kinetics of trifluoroethyl methacrylate (TFEMA)‐typed monomers. Such strategy yields relatively uniform polymer chains with moderate molecular weights, which are subsequently crosslinked to form a robust fluorinated–nitrogenated copolymer network (FNPE). The tailored polymer matrix integrates the capabilities to form a LiF‐containing SEI promoted by fluorinated segments, enhanced mechanical robustness, and a Li 3 N‐rich interphase contributed by the N ‐isopropylacrylamide (NIPAM) domains. Consequently, the FNPE achieves NCM811(6.8 mg cm −2 , 1.2 mAh cm −2 )//Li full cells with high capacity retention (> 80%, 225 cycles), and applicable in wide temperature range (−15 to 60°C) and pouch cell configuration (40 µm Li). Through experimental and multiscale modeling investigations, this work elucidates the intrinsic kinetic challenge for in situ formed FGPEs and provides a new design principle of copolymer‐type electrolytes for durable LMBs.

The influence of moral leadership (in)congruence on negative workplace gossip is explained by perceived hypocrisy

Mimicking a Light‐Harvesting Complex to Accelerate Photooxidation in Asymmetric Lipid Membrane Nanoreactors

ABSTRACT In nature, photosynthesis is driven by solar light and a large proportion of the visible spectrum is absorbed by the light harvesting complexes (LHCs), which then transfer the energy to the reaction center. Inspired by nature, we implemented a light harvesting energy transfer cascade within biomimetic lipid bilayers of liposomes built with DPPC (1,2‐dipalmitoyl‐sn‐glycero‐3‐phosphocholine), using membrane‐anchored fluorescein, 2‐(3,6‐dihydroxy‐9H‐xanthen‐9‐yl)‐5‐dodecanamidobenzoic acid (FlC 12 ) as primary absorber and membrane anchored eosin Y, hexadecyl 2‐(2,4,5,7‐tetrabromo‐3,6‐dihydroxy‐9H‐xanthen‐9‐yl)benzoate (EYC 16 ), as energy acceptor to sensitize oxygen and generate the reactive oxygen species 1 O 2 . Finally, the model substrate nicotinamide adenine dinucleotide (NADH) is oxidized by 1 O 2 within the compartmentalizing liposome nanoreactors. It was observed that our metal‐free LHC system has only a minor effect on the photooxidation rate of NADH when the nanoreactor membrane is functionalized symmetrically. By contrast, asymmetric membrane functionalization of the liposome nanoreactor membranes leads to acceleration by 16% to 27% when using multi‐colored light emitting diodes (LED) or simulated solar light, respectively.

Data-driven adaptive integral variable structure control method for AGV trajectory tracking system based on BP neural network observer

Scalable CT-based prognostic modeling of dementia conversion in mild cognitive impairment

Breaking the Size Constraint: Rational Vacancy Design Activates Submicron Prussian Blue Cathodes for Potassium‐Ion Storage

ABSTRACT The development of durable high‐performance cathodes is paramount to promote the potential application of potassium‐ion batteries in grid‐scale energy storage. Prussian blue analogues, such as iron hexacyanoferrate (FeHCF), offer superior cyclic stability, but their electrochemical activity is limited by poor K + diffusion depth, leading to a sharp decay in reversible capacity with increasing particle size and thus hindering their practical application. Herein, we demonstrate that the rational introduction of vacancies into the FeHCF framework is pivotal for enhancing potassium‐storage kinetics. This approach mitigates the detrimental particle size effect, enabling 500 nm FeHCF particles to retain 72% of the capacity of 50 nm particles. Building upon this, we further propose a local lattice reconstruction strategy to reinforce the framework, promoting reversible capacity and capacity retention. The as‐prepared FeHCF with a particle size of 500 nm delivers a high reversible capacity of 90 mAh g −1 at 50 mA g −1 and outstanding cycling stability (82.6% retention after 800 cycles), alongside remarkable rate performance. This work demonstrates the beneficial role of vacancies in optimizing K + storage kinetics in PBAs, providing support for the development of high‐performance potassium‐ion battery cathodes.

Lightweight and Energy-Aware Intrusion Detection for Industrial IoT Using TinyML and Edge AI

Experimental Evidence for a Metal‐Related Function of a Cyanobactin

ABSTRACT The cyanobacterium Prochloron didemni produces macrocyclic octapeptides with thiazole and oxazoline heterocycles, known as patellamides. An interesting observation is that Cu 2+ binding to the patellamides is likely to be related to their biological function. First, we show that Cu 2 +  injection into Lissoclinum patella increases patG gene expression and patellamide levels in the ascidians. Second, x‐ray absorption spectroscopy shows that biological extracts of specimen from the Great Barrier Reef match structurally synthetic carbonato‐bridged dicopper(II)‐patellamide complexes. Third, patellamides exhibit very high membrane permeability (PAMPA, Caco‐2). Combined with intracellular pH data, patellamide‐Cu 2 + bioactivity in algae, and the absence of many of the typical CO 2 uptake mechanisms in Prochloron , we propose that patellamides facilitate carbonate transport from the ascidians to the cyanobacteria. This provides unprecedented evidence for a link between cyanobactin metal binding and their production and function, suggesting possible novel metal‐related roles for marine cyclic peptides.

A-site alkali engineering enables decoupled property tunability in lead-free Bi-based chloride double perovskites: A DFT study of Cs2NaBiCl6/Rb2NaBiCl6 as p-type UWBG transparent conductors

The development of high-performance p-type ultra-wide bandgap (UWBG) transparent conductors is fundamentally hindered by the inherent “performance coupling” between optical transparency and charge transport: strategies that enhance conductivity typically compromise the wide bandgap essential for transparency, and vice versa. Herein, we propose and computationally validate a novel alkali metal A-site engineering strategy to achieve decoupled property tuning in lead-free bismuth-based chloride double perovskites. Through hybrid-functional density functional theory studies of Cs2NaBiCl6 and Rb2NaBiCl6, we demonstrate that substituting Cs+ with the smaller Rb+ induces a subtle lattice strain. This strain selectively strengthens the Bi 6s/Cl 3p antibonding hybridization at the valence band maximum, thereby enhancing hole mobility by ∼40% (from 39.90 to 56.12 cm2 V−1 s−1) and reducing the hole effective mass (0.441 m0 → 0.313 m0), while leaving the UWBG virtually unchanged (ΔEg ≈ 0.018 eV; ∼4.67 eV for both). Crucially, this decoupling of transport from the optical gap enables both compounds to retain excellent visible-light transmittance (>90%) and favorable mechanical flexibility (Young's modulus < 30 GPa) for thin-film processing. The work establishes A-site cation substitution as a general design principle for independently tuning electronic transport and optical properties in A2BB′X6-type halide double perovskites, providing a clear pathway to overcome the longstanding performance-coupling bottleneck and advance the development of efficient p-type UWBG transparent conductors for optoelectronic applications.

Ionic liquid induced structural transformation in a copper-based MOF synthesis: Experimental and DFT investigations

The development of advanced materials for carbon management has driven significant interest in hybrid systems based on metal–organic frameworks (MOFs) and ionic liquids (ILs), owing to their tunable structures and enhanced affinity for CO2. In this study, we demonstrate that the IL [BMIm][BF4], employed as an ionothermal medium, plays a dual role as both solvent and structure-directing agent, enabling the formation of a two-dimensional copper–terephthalate network (Cu-BDC-2), which differs from the material obtained via conventional solvothermal synthesis (Cu-BDC-1). Structural and spectroscopic analyses reveal that IL-derived species remain associated with the framework surface, directly influencing its physicochemical properties. CO2 adsorption measurements at 85 °C show that Cu-BDC-2 exhibits enhanced interactions with CO2, attributed to the effect of IL-derived species. In contrast, theoretical calculations indicate that, in Cu-BDC-1, van der Waals interactions between CO2 and the aromatic linkers dominate the adsorption process. Furthermore, the GFN1 − xTB method shows good agreement with DFT + U results, highlighting its potential as a computationally efficient approach for screening such systems. These findings demonstrate that ionothermal synthesis is an effective strategy for modulating both the structure and surface functionality of MOF-based materials, opening new perspectives for their applications.

Anisotropic magneto-transport properties of semimetallic LaNiSb3

Single crystals of LaNiSb3 were synthesized using the Sn-flux method. Structural characterization confirms that LaNiSb3 crystallizes in the orthorhombic Pbcm space group with lattice parameters a = 13.0970(2) Å, b = 6.1400(4) Å, and c = 12.1270(4) Å. Electrical resistivity measurements demonstrate metallic behavior over the entire temperature range of 3–300 K. The magnetoresistance (MR) exhibits a positive anisotropic response, attaining a maximum of 8% for H∥b, with a pronounced crossover from quadratic to nearly linear field dependence. Angular-dependent MR measurements reveal a pronounced twofold symmetry upon magnetic-field rotation within both the ab and ac crystallographic planes up to 50 K, indicating anisotropic charge transport. Hall resistivity measurements show predominantly electron-type conduction at high temperatures, with an increasing hole contribution upon cooling. The multiband character is further corroborated by the violation of Kohler’s scaling and is well described within a semiclassical two-band framework. Collectively, these results suggest LaNiSb3 has anisotropic multiband electronic transport and could be a compelling candidate to explore structure–property correlation as a topological semimetal.

N-component free energy lattice Boltzmann method with reduction consistency and global momentum conservation

We present a free energy lattice Boltzmann model capable, in principle, of simulating fluid systems with an arbitrary number of immiscible components. Our method is strictly reduction consistent, ensuring that absent fluid components do not spontaneously nucleate. We introduce a novel discretization of the surface tension force that globally conserves momentum to machine precision, and we enforce reduction consistency through a flux correction that is independent of the mobility. The method is benchmarked with a range of static and dynamic problems, including liquid lenses, Janus droplets, quaternary phase separation, and six-component layered Poiseuille flow, and we obtain excellent agreement with theoretical predictions throughout. Finally, we demonstrate the applicability of the proposed method through patterned liquid surfaces and microfluidic emulsion droplet generation.

Electronic transport in order–disorder coupled bilayer graphene

Within the tight-binding framework, we investigate the electronic transport properties of AA- and AB-stacked ordered–disordered bilayer graphene using matrix diagonalization combined with the quantum diffusion theory, in the framework of a realistic materialized tight-binding Hamiltonian with long-range hopping. It is found that interlayer compression opens a bandgap, with the critical interlayer distance for gap opening being influenced by the disorder strength. As disorder increases, the electronic bands broaden, the density of states in the band tails remains low, while the band-center density stays high and stable, approaching the monolayer graphene band structure under strong disorder. Participation-number analysis indicates that all electronic states are nonlocalized under weak disorder, whereas mobility edges emerge under strong disorder, separating nonlocalized states in the band center from localized states in the band tails, and gradually blur as the interlayer distance decreases. Importantly, a universal anomalous quantum diffusion behavior is observed, regardless of interlayer compression, the electronic mobility undergoes a transition from decrease to increase with increasing disorder strength. By jointly tuning disorder strength and interlayer distance, the electronic diffusion can be effectively controlled between superdiffusive and subdiffusive regimes. Ordered–disordered bilayer graphene quantum films may be realized via doping, micro-/nano-fabrication, or substrate engineering. These results provide new theoretical insights into bilayer graphene and guidance for the design of novel electronic devices.

Why projection-based WF-in-DFT cannot be exact, even with the exact exchange–correlation functional. Formal and practical sources of errors

We establish theoretical foundations for embedding a correlated wavefunction in an environment formed by Kohn–Sham orbitals. We show that introducing an approximation that equates two, in principle, distinct kinetic-energy functionals yields an embedding functional identical to the projection-based wavefunction-in-density functional theory (DFT) formulation of Miller and co-workers. We demonstrate that this functional is inherently nonvariational: its minimum is not guaranteed to coincide with the exact ground-state energy and remains bounded from above by it. Building on this formal framework, we analyze the dominant sources of error in projection-based density matrix renormalization group-in-DFT embedding with approximate exchange–correlation (xc) functionals. Using molecules with dissociating covalent bonds as a diagnostic example, we demonstrate that the primary source of error is the nonadditive exchange–correlation energy describing the nonclassical coupling between the active subsystem and its environment. Eliminating the fractional-spin error by employing a pair-density xc functional (pair-density functional theory) instead of a semilocal generalized gradient approximation (GGA) does not remedy this deficiency, because the inaccuracy stems from self-interaction effects at the subsystem–environment interface.

Comparison of terahertz radiation and hot-electron dynamics in CdTe and GaAs photoconductive antennas excited at 520 nm

Photoconductive antennas (PCAs) remain a cornerstone for efficient terahertz (THz) generation. Given the recent proliferation of ytterbium (Yb) laser technology, adapting PCAs to these specific laser characteristics is essential. In this work, we investigate the THz emission of typical dipole-type semi-insulating gallium arsenide (SI GaAs) and cadmium telluride (CdTe) PCAs with a 30 μm gap, driven by the second harmonic (520 nm) of an Yb-based femtosecond oscillator laser. We demonstrate that, with optimized bias and optical excitation, CdTe PCA can generate a peak-to-peak THz field 53% larger than that of GaAs. While GaAs initially exhibits higher emission at low fields, the ability of the CdTe PCA to sustain higher bias fields at high optical power without catastrophic failure is an advantage that leads to the generation of higher THz fields. Furthermore, we highlight fundamental differences in hot-electron dynamics between the two semiconductors. Disparities in intervalley scattering rates, which govern carrier mobility and the resulting space-charge screening regime, lead to markedly different evolutions of the THz waveforms in GaAs vs CdTe. These findings establish CdTe as a robust alternative for high-power THz applications driven by Yb-based laser systems.

Exploration of rotational and vibrational stimulated Raman scattering in oxygen-filled fiber

Stimulated Raman scattering (SRS) is performed in pressurized oxygen (O2) within a nested antiresonant fiber (NARF) to investigate the interplay between rotational and vibrational SRS. In this work, the O2-filled NARF is pumped by 500 ps pulses at λ = 1.064 μm with peak powers of up to 60 kW. The pump generates cascaded vibrational Stokes lines spaced by ∼1550 cm−1, and each of these generates cascaded Stokes and anti-Stokes rotational SRS. The extremely spectrally broad guidance of the NARF enables, for the first time, the measurement of the third vibrational Stokes order, which is beyond 2.1 μm with our pump wavelength. We report on the threshold energies and conversion efficiencies of each vibrational SRS order. In addition, we observe the pressure-dependent absorption of O2 in the near-infrared and discuss the ramifications. We also collect pump polarization-dependent spectra while varying O2 pressure and pump power to determine the gain competition between rotational and vibrational SRS. This work explores the spectroscopic complexities of O2 and presents a new multispectral fiber laser source.

Displacement damage induced disorder and thermal transport degradation in AlGaN alloys: A molecular dynamics study

High electron mobility transistors based on AlGaN are widely deployed in radiation rich environments, where displacement damage can degrade both material integrity and heat dissipation. Yet, how displacement induced disorder couples to thermal transport degradation in AlxGa1−xN alloys across composition and temperature remains unclear. Molecular dynamics simulations were used to quantify radiation-induced structural disorder and thermal transport degradation in AlxGa1−xN random alloys. Defect accumulation was tracked by Frenkel pair analysis, while structural decoherence was quantified by a tetrahedra based local order parameter distribution and an amorphous-like atomic fraction defined from its low order weight. The composition response is nonmonotonic: Al0.5Ga0.5N exhibits the strongest defect retention and the largest growth of amorphous-like environments, whereas Al0.25Ga0.75N shows the weakest overall damage signature under the same dose. For a fixed composition, higher temperature systematically increases residual damage and raises the amorphous-like fraction, indicating that thermally assisted migration promotes persistent clustered and reconstructed states rather than restoring crystalline order. Radial distribution functions confirm the inferred disorder through peak broadening and rapid attenuation of medium-range oscillations, supporting the reliability of the tetrahedral metric. Equilibrium molecular dynamics calculations show that irradiation amplifies compositional sensitivity of thermal conductivity, with Al0.5Ga0.5N remaining the lowest after damage. The largest dimensionless thermal resistance increase coincides with the highest amorphous-like fraction in Al0.5Ga0.5N, while the temperature dependence of the relative resistance change reflects joint control by the pristine temperature-dependent transport baseline and the disorder level.

Broadband dielectric measurements of primary linear monohydroxy alcohols with microwave microfluidic spectroscopy

Dielectric spectroscopy can provide information about the relaxation dynamics and intermolecular interactions in fluids. The past century of research has resulted in many hypotheses about intermolecular interactions in alcohols, including hydrogen bonding dynamics. In spite of extensive efforts to measure the dielectric properties of alcohols, there is a range of specificity of results in the literature. The range of reported values in existing data makes it challenging to validate models of relaxation dynamics and examine trends. Here, we report the dielectric spectra of eight primary linear monohydroxy alcohols, with accompanying uncertainties, measured at 25 °C from 100 MHz to 110 GHz using microwave microfluidic spectroscopy. The spectra of alcohols were fitted with a model containing two relaxations: a dominant Debye relaxation and a higher frequency non-Debye relaxation. We validated our fitting approach by comparing the residuals to the uncertainties. We found that the Debye relaxation changes systematically as a function of the number of carbons in the alkyl chain, decreasing in magnitude and increasing to higher time constants. The non-Debye relaxation also shifts downward in frequency as the chain length increases. Overall, these results are a comprehensive set of broadband dielectric spectra that can be used to test and validate models for intermolecular interactions in alcohols.

Monte Carlo simulation of transverse-field-induced spin reorientation in Dy2Fe14B under atomic-scale thermal fluctuations

Rare-earth permanent magnets are key materials for modern energy and transportation technologies, and understanding their magnetic behavior under applied magnetic fields is of both fundamental and technological importance. Recent advances in ultrahigh magnetic-field experiments are revealing previously inaccessible magnetization regimes in these materials. In this study, we investigate the transverse-field magnetization process of Dy2Fe14B over a wide magnetic-field range at different temperatures using an atomistic modeling approach. This recently developed framework enables us to study the microscopic mechanisms of magnetization processes, including the effects of atomic-scale thermal fluctuations. We show that, qualitatively, different mechanisms of field-induced spin reorientation operate in the low- and high-temperature regimes and identify the characteristic magnetic fields associated with these processes. Our results demonstrate how the competition among anisotropy, exchange, and Zeeman energies governs field-induced spin reorientation in heavy rare-earth magnets, providing microscopic insight into their high-field magnetic behavior and thermal stability.