Abstract. The antioxidant properties of polydatin/piceid (3-O-β-D-glucopyranosyl-resveratrol), a stilbenoid polyphenol widely found in Vitaceae, Liliaceae,

In silico drug design across antioxidant chemistry, photodynamic therapy, and senotherapeutics at Wrocław Medical University.

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Terapia fotodynamiczna w onkologii

Maciej Spiegel, PhD, an assistant professor in the Research Group at the Department of Organic Chemistry and Drug Technology, has been named in the latest edition […]

Hypericin, a π-rich anthraquinone natural product, exhibits anomalously high triplet yields despite inherently weak spin–orbit coupling. Using long-time-scale molecular dynamics integrated with time-d...

Photophysical properties of the recently synthesized Al(iii), Ga(iii) and In(iii)-hemin complexes have been studied, in particular, the most important properties relevant to their proposed use as new ...

The antioxidant activity of vitexin and isovitexin─flavonoids widely found in various plants and used in traditional medicine─has been theoretically evaluated against the OOH radical. Multiple reactio...

A computational strategy is presented for the rational design of anthraquinone- based, heavy-atom–free photosensitizers optimized for two-photon photodynamic therapy in hypoxic tumors within NIR regio...

Phototoxic outcomes in photodynamic therapy depend sensitively on photosensitizer speciation, triplet formation pathways, and oxygen availability. Here, first-principles excited-state dynamics was com...

Hypericin, a naturally occurring anthraquinone dye, displays unusually high triplet quantum yields despite its weak spin–orbit coupling and strong propensity to aggregate in solution—an apparent contr...

The importance of post-CCSD(T) corrections as high as CCSDTQ56 for ground-state spectroscopic constants ( De, ωe, ωexe, and αe) has been surveyed for a sample of two dozen mostly heavy-atom diat...

Oxidative stress, caused by an imbalance between reactive oxygen species and antioxidants, drives chronic diseases such as cancer and neurodegeneration. This study investigates the antioxidant potenti...