Fruit used in the common human diet in general, and kiwifruit and persimmon particularly, displays health properties in the prevention of heart disease. This study describes a combination of bioactivity, multivariate data analyses and fluorescence measurements for the differentiating of kiwifruit and persimmon, their quenching and antioxidant properties. The metabolic differences are shown, as well in the results of bioactivities and antioxidant capacities determined by ABTS, FRAP, CUPRAC and DPPH assays. To complement the bioactivity of these fruits, the quenching properties between extracted polyphenols and human serum proteins were determined by 3D-fluorescence spectroscopy studies. These properties of the extracted polyphenols in interaction with the main serum proteins in the human metabolism (human serum albumin (HSA), α-β-globulin (α-β G) and fibrinogen (Fgn)), showed that kiwifruit was more reactive than persimmon. There was a direct correlation between the quenching properties of the polyphenols of the investigated fruits with serum human proteins, their relative quantification and bioactivity. The results of metabolites and fluorescence quenching show that these fruits possess multiple properties that have a great potential to be used in industry with emphasis on the formulation of functional foods and in the pharmaceutical industry. Based on the quenching properties of human serum proteins with polyphenols and recent reports in vivo on human studies, we hypothesize that HSA, α-β G and Fgn will be predictors of coronary artery disease (CAD).

Fourier transform infrared (FTIR) and proton nuclear magnetic resonance (¹H NMR) spectroscopies were applied to characterize and compare the chemical shifts in the polyphenols’ regions of some fruit wines. The obtained results showed that FTIR spectra (1800–900 cm⁻¹) and ¹H NMR (δ 6.5–9.3 ppm) of different fruit wines can be used as main indices of the year of vintage and quality of fruit wines. In addition to the classical determination of antioxidant profiles and bioactive substances in wines, fluorometric measurements were used to determine the interactions of wine substances with the main human serum proteins. The results showed relatively high binding properties of wines with the highest one for pomegranate, followed by kiwifruit and persimmon wines. The interactions of vitamin C, catechin and gallic acid with human serum albumin (HSA) were also examined by docking studies. The docking calculations showed that gallic acid has a stronger binding affinity compared to catechin and vitamin C. The stronger binding affinity of gallic acid may be due to three hydrogen bonds and pi–pi interactions. The fluorescence and docking studies proved that only the bioactive compounds of wines and not the amount of alcohol have high binding properties to human serum proteins. The emphasis in this report was made on the utility of FTIR, NMR and fluorescence of wines as a mean of wine authentication and its fingerprint. The findings, based on polyphenols from fruits and fruit wines, their bioactivity and health properties, offer valuable insights for future endeavours focused on designing healthy food products.

The ability to design catalysis largely depends on our understanding of the electrostatic effect of the surrounding on the bonds participating in the reaction. Here, we used a simplistic model of point charges (PCs) to determine a set of rules guiding how to construct PC-bond arrangement that can strengthen or weaken different chemical bonds. Using valence bond theory to calculate the in situ bond energies, we show that the effect of the PC mainly depends on the bond’s dipole moment irrespective of its type (being covalent or charge shift). That is, polar bonds are getting stronger or weaker depending on the sign and location of the PC, whereas non- or weakly polar bonds become stronger or weaker depending only on the location of the PC and to a smaller extent compared with polar bonds. We also show that for polar bonds, the maximal bond strengthening and weakening effect can be achieved when the PC is placed along the bond axis, as close as possible to the more and less polarizable atom/fragment, respectively. Finally, due to the stabilizing effects of polarizability, we show that, overall, it is easier to cause bond strengthening compared with bond weakening. Particularly, for polar bonds, bond strengthening is larger than bond weakening obtained by an oppositely signed PC. These rules should be useful in the future design of catalysis in, e.g., enzyme active sites.

Amaranth oil (AMO) and its topical formulation enriched with rose oil (AMOR) were evaluated for anti-inflammatory and cytotoxic properties in skin-relevant models. Two complementary inflammation models were used to assess immunomodulatory potential, (i) LPS-stimulated macrophages and (ii) TNF-α/IFN-γ-stimulated immortalized HaCaT keratinocytes, while cytotoxicity and selectivity were tested on human HaCaT keratinocytes and melanoma cell lines (A375, HTB140). GC-MS and FTIR analyses were performed to confirm the presence of key bioactive compounds (squalene, fatty acids, phenolics). AMOR showed significantly higher polyphenol and palmitic acid content than AMO. In both inflammation models, AMOR more effectively reduced IL-6, IL-1β, and TNF-α release. Cytotoxicity assays revealed that both oils were safe for normal keratinocytes, while selectively cytotoxic to melanoma cells, with AMOR demonstrating greater potency (IC₅₀ A375 = 3.8 μg/mL and HTB140 = 18.9 μg/mL). Albumin-binding studies showed that AMOR had stronger interactions with these proteins, which may enhance delivery and tissue retention. In conclusion, both oils exhibit promising topical safety, but AMOR provides enhanced anti-inflammatory and cytotoxic effects due to its enriched composition. This study supports the therapeutic potential of amaranth oil in different skin diseases, especially when combined with essential oils of complementary bioactivity.