A comprehensive DFT-based study of the antioxidant properties of monolignols: Mechanism, kinetics, and influence of physiological environments. | LitMetric
Monolignols, p-coumaryl alcohol (CouA), coniferyl alcohol (ConiA), and sinapyl alcohol (SinA), are the fundamental materials for lignin biosynthesis, a major component of lignocellulosic biomass. In the present study, we report a comprehensive analysis of the antioxidant properties of monolignols, using density functional theory (DFT) calculations. Under model physiological conditions, monolignols demonstrated a high hydroperoxyl radical scavenging capacity in polar media, with overall rate constants (k) ranging from 5.80 × 10 to 1.15 × 10 M s. In contrast, this activity was less pronounced in lipid media, with k in the range of 2.66 × 10 to 2.61 × 10 M s. The single electron transfer (SET) mechanism was found to play a decisive role in water at physiological pH and under basic conditions, whereas the formal hydrogen transfer (FHT) mechanism was the exclusive pathway in aqueous acid conditions and lipid media. Furthermore, the monolignols ConiA and SinA, demonstrated a strong capacity to chelate Cu(II) and Fe(III) ions in water, with apparent equilibrium constants in the range of 9.21 × 10 to 5.93 × 10 M s. Their complexes were also found to be highly effective in blocking the reduction of Cu(II)-to-Cu(I) and Fe(III)-to-Fe(II) via the ascorbic acid anion pathway.
Changes to the composition of the microbiome in neoplasia, is termed oncobiosis, may affect tumor behavior through the changes to the secretion of bacterial metabolites. In this study we show, that ursodeoxycholic acid (UDCA), a bacterial metabolite, has cytostatic properties in pancreatic adenocarcinoma cell (PDAC) models. UDCA in concentrations corresponding to the human serum reference range suppressed PDAC cell proliferation.
Noncentrifugal sugar (NCS) is an unrefined, dark brown sugar containing minerals and plant secondary metabolites, unlike refined white sugar (WS). This study explored using NCS in confectionary jellies as an alternative sugar. We used different concentrations of NCS and WS to prepare low methoxyl pectin (LMP) confectionery gels characterized by their physical and rheological properties along with time-domain nuclear magnetic resonance (TD-NMR) relaxometry.
Key Laboratory of Shaanxi Province for Craniofacial Precision Medicine Research, College of Stomatology, Xi'an Jiaotong University, Xi'an, Shaanxi, China.
Introduction: Alveolar bone defects pose significant challenges in dentistry. Due to the complexity of alveolar bone anatomy and insufficient repair mechanisms, large bone defects are difficult for the body to heal naturally. Clinical treatment typically involves the use of bone substitute materials.
The present research was aimed to isolate potential probiotic organisms from dairy products locally made in and around the Saurashtra region of Gujarat. A total of 224 colonies were screened for primary attributes. Based on the results, 70 isolates were carried further for secondary screening.
Polyphenols, known for their potent antioxidant and anti-inflammatory properties, have emerged as promising, natural, and safe complementary treatment options for metabolic-associated steatotic liver disease (MASLD). Among these, curcumin, resveratrol, and silymarin are the most extensively studied; however, their differential effects on MASLD outcomes remain inconclusive. This systematic review and meta-analysis of RCTs aimed to evaluate the efficacy of curcumin, resveratrol, and silymarin in patients with MASLD.
