Bioactive compounds in 19 chili pepper varieties cultivated in Italy: Suspect screening and in vitro enzyme inhibitory effect.

Chili peppers have been under the spotlight of bioactivity research as they feature a diverse and rich phytochemical profile with multiple health promoting effects. These beneficial properties are related to the chemical composition of chili peppers and is of utmost importance to identify varieties with the strongest bioprospecting potential. In this study, 19 chili pepper varieties were investigated originating from Capsicum annuum L.

Modelling nitrogen dioxide dispersion in urban street canyons through sensor-based emission assessment.

This study assesses the performance of the ADMS-Urban dispersion model in estimating 1-h mean nitrogen dioxide (NO) concentrations within the street canyons of Prague. While traditional air quality modeling that relies on sparse data from localized monitoring stations, this approach pioneers the integration of traffic, background, and rooftop sensor network, to archive a more granular validation of model outputs. The results demonstrate robust model performance, with FAC2 values ranging from 0.

Metal-Organic Framework (MOF)-Based Catalysts for Sustainable Energy Technologies: A Review.

The demand for sustainable energy technologies is high due to the depletion and risks linked to fossil fuel usage. Diverse energy technologies, such as regenerative fuel cells, zinc-air batteries, and comprehensive water-splitting devices, possess significant potential for the advancement of green energy. MOFs hold a prominent position among the various kinds of materials utilized in renewable energy technologies.

Salty crackers enriched with cricket () powder: a comprehensive quality and safety assessment study.

The formation of acrylamide was investigated in salty crackers enriched with cricket powder () since its addition increases the free asparagine content. Cricket powder additions (5, 10, 15 %) were tested on crackers prepared with white wheat flour or whole grain wheat flour, baked for 25, 35 and 45 min at 180 °C. Additionally, chloropropandiols (2- and 3-MCPD) fatty acid esters and glycidol fatty acid esters were investigated.

On-Site and Remote Sensing Assessment of Water Pollution in the Sokolov Coal Basin, Czech Republic.

Effective water pollution assessment is essential for promoting sustainable development, especially in mining regions, where water resources are frequently degraded. Unmanned Aerial Vehicles (UAVs) and satellite imagery offer valuable tools for monitoring and evaluating surface water quality. This study aimed to compare the results of on-site water sampling with data obtained from multispectral images captured by UAVs and Sentinel-2 satellites, while also identifying the limitations of these methods.

Copper-PLLA-Based Biopolymer Wrinkle Structures for Enhanced Antibacterial Activity.

The increasing prevalence of antibiotic-resistant bacteria has intensified the need for innovative antibacterial surfaces, particularly in biomedical applications. Traditional approaches often rely on chemical agents alone, which may lead to diminishing efficacy over time. To address this, we investigated the development of a novel antibacterial surface by combining the inherent antimicrobial properties of copper with an engineered surface topography on a biopolymer matrix.

Detection and Quantification of House Crickets () in the Gut of Yellow Mealworm () Larvae Fed Diets Containing Cricket Flour: A Comparison of qPCR and ddPCR Sensitivity.

Due to their nutritional value and sustainability, edible insect-based foods are gaining popularity in Europe. Their use is regulated by EU legislation, which defines authorised species and sets labelling requirements. Molecular tools are being developed to authenticate such products.

Biodegradable Zn-0.8Mg-0.2Sr alloy as an internal fixation material exhibits controlled degradation with enhanced osteogenesis.

Zinc (Zn) and its alloys are promising candidates for biodegradable metals in medical applications. However, their clinical use in internal fixation is hindered by low mechanical strength, uncontrolled corrosion, and insufficient bioactivity. To address these issues, we developed an extruded Zn-0.

Unlocking the resorption potential of cannabidiolic acid: A comprehensive in vitro and in vivo bioavailability study.

Phytocannabinoids, unique secondary metabolites of the plant Cannabis sativa L., are characterised by a wide spectrum of pharmacological activities and their use in medicine and food industry has increased exponentially in recent years. In this study, the bioavailability of 10 representatives of neutral cannabinoids and cannabinoid acids was evaluated using an in vitro model of Caco-2 cells, as well as in vivo using an inbred mouse model.

Sequence-Dependent Shape and Stiffness of DNA and RNA Double Helices: Hexanucleotide Scale and Beyond.

The structure and deformability of double-stranded DNA and RNA depend on the sequence of bases, affecting biological processes and nanostructure design, but this dependence is incompletely understood. Here we present mechanical properties of DNA and RNA duplexes inferred from atomic-resolution, explicit-solvent molecular dynamics (MD) simulations of 107 DNA and 107 RNA oligomers containing all hexanucleotide sequences. In addition to the level of rigid bases, minor and major grooves, we probe the length and sequence dependence of global material constants such as persistence lengths, stretching and twisting rigidities.

Complete wetting and drying at sinusoidal walls.

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.

Influence of the Growth Parameters on RF-Sputtered CNTs and Their Temperature-Selective Application in Gas Sensors.

This work deals with the peculiarities of the growth of carbon nanotubes (CNTs) by radiofrequency (RF) magnetron sputtering and with the effect of deposition parameters on the RF sputtering. In the deposition process, a type of plasma gas, power of the RF generator, deposition time of catalysts, and a type of catalyst metals were modified to reveal the impact of these changes on the CNT's growth. The obtained nanostructures were studied by scanning electron microscopy (SEM) and transmission electron microscopy (TEM) as well as energy-dispersive X-ray (EDX) and Raman spectroscopies.

Elution revolution: Reversing chiral recognition by swapping d- for l-cellulose.

Chirality is a fundamental feature involved in most biological processes. While it can be rather readily observed on the molecular or microscopic level, enantioselective interactions on the macroscopic level are not as well understood. We chemically synthesized l-cellulose, the enantiomer of native cellulose with chains of different length by polymerizing an l-glucose-based precursor.

Enhanced Electrochemical Performance of Binder-Free Fluorine-Vanadium-Doped CoMoO Nanosheets via In Situ MXene Integration for Energy Storage Applications.

Designing an affordable device that seamlessly combines efficient electrochemical energy storage with straightforward, robust protocols represents a promising pathway for ushering in the next generation of green power solutions and fostering a sustainable society. In this work, CoMoO, vanadium-doped CoMoO (V-CoMoO), and fluorine-vanadium-doped CoMoO (F-V-CoMoO) were synthesized in situ on nickel foam (NF) using a hydrothermal method, followed by thermal treatment, resulting in a hierarchical structure with interconnected nanosheets and open porous channels. VC MXene was used as the vanadium source, which was fully oxidized during the synthesis.

Volatility, thermodynamic properties and dispersion interactions of sulfur-containing tricyclic molecular materials.

Organic heterocyclic molecules play the role of precursors for various sophisticated materials from semiconductors to pharmaceuticals. Knowledge of their volatility is always an important factor to minimize hazards associated with their use and potential toxicity. Nevertheless, thermodynamic properties of polycyclic heterocycles have been very scarcely studied experimentally.

Synthesis of Monothiacalix[4]arene Using the Fragment Condensation Approach.

The article describes a simple and scalable preparation of 2-monothiacalix[4]arene , the simplest representative of the mixed-bridged (CH and S) calix[4]arenes. The synthesis is based on the condensation of linear building blocks (bisphenols), which are relatively readily available, and allows, depending on the conditions, the use of two alternative reaction routes that provide macrocycle in high yield. The dynamic behavior of the basic macrocyclic skeleton was investigated using NMR spectroscopy at variable temperatures.

Ferroptosis Induction by a New Pyrrole Derivative in Triple Negative Breast Cancer and Colorectal Cancer.

Ferroptosis-inducing agents are an emerging class of nonapoptotic, iron-dependent compounds for anticancer chemotherapy. We describe the synthesis of new aroyl diheterocyclyl pyrrole derivatives . Compound exhibited the most potent in vitro anticancer activity against breast cancer (BC), triple-negative breast cancer (TNBC), and colorectal cancer (CRC) cell lines, as well as significant efficacy in an HCT116 CRC xenograft model.

Anisotropic Magneto-Optical Raman Response Coupled with Magnetic Ordering in an A-Type Antiferromagnet.

Magneto-optical effects serve as powerful tools for probing magnetic order and spin-related couplings, yet anisotropic spin-phonon coupling in low-dimensional systems remains underexplored. Here, we uncover an anisotropic magneto-optical Raman response in the A-type van der Waals antiferromagnet CrSBr, where intrinsic lattice anisotropy and quasi-one-dimensional magnetism enable anisotropic spin-phonon interactions. Using polarization- and angle-resolved Raman spectroscopy, we identify that the ratio |/| of the mode's Raman tensor elements undergoes a dramatic change across the Néel temperature, serving as a hallmark of the paramagnetic-to-antiferromagnetic phase transition.

Eyes on the Prize: Tracking Electron Transfer in G-Rich Duplex and Quadruplex DNA Using Enantiopure Ruthenium Polypyridyl Infrared Redox Probes.

Photosensitized damage by the mechanism of direct 1e transfer from a nucleobase to the metal complex is a complementary approach to type I and type II methods of photodynamic therapy. In this ultrafast spectroscopic study we report the ability of a nitrile infrared redox probe to report on the photo-oxidation of guanine-rich DNA, comprising persistent runs of guanine, by the dppz-10-CN containing complex [Ru(TAP)(dppz-10-CN)] (), dppz-10-CN = 10-cyano-dipyrido[3,2-a:2',3'-c]phenazine and TAP = 1,4,5,8-tetraazaphenanthrene. Our study reveals the ability of the enantiomers of to photo-oxidize guanine in double-stranded and quadruplex DNA.

Investigation of novel nimesulide derivatives against breast cancer.

This study focused on the synthesis of novel nimesulide semicarbazone derivatives and the evaluation of their cytotoxic potential against luminal-A (MCF-7) and triple-negative (MDA-MB-231) breast cancer cell lines. Additionally, their effects on mitochondrial membrane potential (MMP), apoptosis, and mitogen-activated protein kinase (MAPK) pathway modulation were investigated. Breast cancer remains the most prevalent malignancy among women, with luminal-A and triple-negative subtypes posing significant therapeutic challenges due to drug resistance and the lack of effective targeted treatments.

Molecular spectroscopy of blood plasma differentiates metabolic dysfunction-associated steatohepatitis from steatosis.

Background: Vibrational and chiroptical spectroscopy of blood plasma is an advanced experimental diagnostic approach that allows the identification of disease-specific molecular patterns. This study aimed to test its potential to distinguish between different stages of metabolic dysfunction-associated steatotic liver disease (MASLD) including liver fibrosis.

Methods: We analyzed blood plasma samples from 29 patients with metabolic dysfunction-associated steatohepatitis (MASH) and 24 MASLD patients with simple steatosis using Fourier-transform infrared (FTIR) spectroscopy, Raman spectroscopy and electronic circular dichroism (ECD) spectroscopy to distinguish: (i) MASH; (ii) MASH with moderate to advanced fibrosis; and (iii) overall fibrosis.

Synthetic and semi-synthetic antioxidants in medicine and food industry: a review.

Oxidative stress is recognized as both a causative and contributing factor in many human diseases. As a result, significant research has been devoted to the development of synthetic and semi-synthetic antioxidants (ATs). This review summarizes the therapeutic potential of synthetic ATs, explores their possible clinical applications, and highlights novel structural modifications aimed at improving their pharmacological properties.

Retrospective Benchmarking and Novel Shape-Pharmacophore Based Implementation of the MORLD Method for the Autonomous Optimization of 3-Aroyl-1,4-diarylpyrroles (ARDAP).

The use of artificial intelligence (AI) is increasingly integral to the drug-discovery process, and among AI-driven methodologies, deep generative models stand out as one of the most promising approaches for hit identification and optimization. Here, we report a retrospective benchmarking analysis of a series of tubulin inhibitors, 3-aroyl-1,4-diarylpyrroles (ARDAP), using the deep-generative algorithm Molecule Optimization by Reinforcement Learning and Docking (MORLD) in combination with five docking software (QuickVina 2, AutoDock-GPU, PLANTS, GOLD, and Glide). Our results indicate that the performance of the MORLD/docking workflow is highly dependent on the availability of initial structural information; only the incorporation of a core constraint in Glide yields satisfactory predictions.

Application of Micro- and Nano-Spectroscopic Techniques for Systematic Studies of Surface Features of the Barley Leaf Cuticle.

In this study, micro- and nanospectroscopic techniques were used to examine the aerial epidermis of a barley crop leaf cuticle to determine if there is a correlation between aerial morphological features and their chemistry. We believe this understanding may inform the design of nanoparticles (NPs) with improved and controlled NP-plant interactions and potential applications as foliar nanofertilizers. We compared three different Raman excitation wavelengthsNIR, Vis, and UVand evaluated the possibilities of nanospectroscopic techniques like tip-enhanced Raman spectroscopy (TERS) and nano-FTIR spectroscopy.