Since the last few years, the growing interest in the use of natural and synthetic antioxidants as functional food ingredients and dietary supplements, is observed. The imbalance between the number of antioxidants and free radicals is the cause of oxidative damages of proteins, lipids, and DNA. The aim of the study was the review of recent developments in antioxidants. One of the crucial issues in food technology, medicine, and biotechnology is the excess free radicals reduction to obtain healthy food. The major problem is receiving more effective antioxidants. The study aimed to analyze the properties of efficient antioxidants and a better understanding of the molecular mechanism of antioxidant processes. Our researches and sparing literature data prove that the ligand antioxidant properties complexed by selected metals may significantly affect the free radical neutralization. According to our preliminary observation, this efficiency is improved mainly by the metals of high ion potential, e.g., Fe(III), Cr(III), Ln(III), Y(III). The complexes of delocalized electronic charge are better antioxidants. Experimental literature results of antioxidant assays, such as diphenylpicrylhydrazyl (DPPH) and ferric reducing activity power assay (FRAP), were compared to thermodynamic parameters obtained with computational methods. The mechanisms of free radicals creation were described based on the experimental literature data. Changes in HOMO energy distribution in phenolic acids with an increasing number of hydroxyl groups were observed. The antioxidant properties of flavonoids are strongly dependent on the hydroxyl group position and the catechol moiety. The number of methoxy groups in the phenolic acid molecules influences antioxidant activity. The use of synchrotron techniques in the antioxidants electronic structure analysis was proposed.
The aim of the study was to present the possibility of the sensitivity improvement of the electronic nose (e-nose) and to summarize the detection mechanisms of trace gas concentrations. Our main area of interest is graphene, however, for the better understanding of the sensing mechanisms, it is crucial to review other sensors of similar functions. On the basis of our previous research, we explained the detection mechanism which may stay behind the graphene sensor’s sensitivity improvement. We proposed a qualitative interpretation of detection mechanisms in graphene based on the theory regarding the influence of metals and substituents on the electronic systems of carbon rings and heterocyclic aromatic ligands. The analysis of detection mechanisms suggests that an increase of the electronic density in graphene by attaching a substituent and stabilization of electronic charge distribution leads to the increase of graphene sensor conductivity. The complexation of porphyrins with selected metals stabilizes the electronic system and increases the sensitivity and selectivity of porphyrin-based sensors. Our research summary and proposed conclusions allow us to better understand the mechanisms of a radical change of graphene conductivity in the presence of trace amounts of various gases.
The development of effective antioxidants has evolved from descriptive analysis toward a precise, mechanism-driven discipline targeting the molecular “redox switch”. This review synthesizes the critical advances reported since 2021, focusing on how the interplay between polyphenolic architecture and electronic descriptors, such as bond dissociation enthalpy and ionization potential, governs radical scavenging through the HAT, SET, and SPLET pathways. We evaluate the dual influence of metal coordination, where interactions can either enhance antioxidant stability through σ bond polarization or trigger pro-oxidant transitions via ligand-to-metal charge transfer. Central to this progress is the integration of computational models (DFT, QSAR) with advanced synchrotron methodologies (XAS, STXM, SR-FTIR, and SAXS), which provide element-specific validation of antioxidant behavior and subcellular oxidative mapping within complex matrices. Furthermore, we highlight how these molecular insights inform formulation engineering, specifically the development of organic nanocarriers and hybrid delivery systems, such as metal–phenolic networks, that shield therapeutic cargo from degradation and govern release in challenging physiological environments. These fundamental studies provide an essential physicochemical basis for medicine by enabling a better understanding and the rational design of antioxidant drugs, dietary supplements, and antioxidant strategies.
The aim of the study was to determine the time of mineral growth in human spine ligaments using a mathematical model. The study was based on our previous research in which the physicochemical analysis and computed microtomography measurements of deposits in ligamenta flava were performed. Hydroxyapatite-like mineral (HAP) constituted the mineral phase in ligament samples, in two samples calcium pyrophosphate dehydrate (CPPD) was confirmed. The micro-damage of collagen fibrils in the soft tissue is the crystallization center. The growth of the mineral nucleus is a result of the calcium ions deposition on the nucleus surface. Considering the calcium ions, the main component of HAP, it is possible to describe the grain growth using a diffusion model. The model calculations showed that the growth time of CPPD grains was ca. a month to 6 years, and for HAP grains >4 years for the young and >5.5 years for the elderly patients. The growth time of minerals with a radius >400 μm was relatively short and impossible to identify by medical imaging techniques. The change of growth rate was the largest for HAP deposits. The mineral growth time can provide valuable information for understanding the calcification mechanism, may be helpful in future experiments, as well as useful in estimating the time of calcification appearance.
7 April 2017 in Journal of Bone and Mineral Metabolism