The synthetic naringenin derivative (2S)-8-carboxymethylnaringenin () was developed for the treatment of bacterial and viral respiratory infections. There are indications that may act as an antioxidant, however, no studies have been conducted in this regard. This work is aimed at assessing the antiradical capacity of against various physiologically relevant species in physiological environments by using thermodynamic and kinetic calculations.
View Article and Find Full Text PDFInduced pluripotent stem cell (iPSC)-derived biological pacemakers have emerged as an alternative to traditional electronic pacemakers for managing cardiac arrhythmias. While effective, electronic pacemakers face challenges such as device failure, lead complications, and surgical risks, particularly in children. iPSC-derived pacemakers offer a promising solution by mimicking the sinoatrial node's natural pacemaking function, providing a more physiological approach to rhythm control.
View Article and Find Full Text PDF1,4-Dihydronicotinamide derivatives, including 1-methyl-1,4-dihydronicotinamide (MNAH), are derivatives of the active center of nicotinamide coenzyme (NADH) and are therefore potent radical scavengers. MNAH serves as a useful model of NADH that allows for modeling studies to address the activity of this important biomolecule. In this work, MNAH activity was evaluated against typical free radicals using quantum chemical calculations in physiological environments, with a secondary aim of comparing activity against two physiologically relevant radicals of markedly different stability, HO˙, and HOO˙, to establish which of these is a better model for assessing antioxidant capacity in physiological environments.
View Article and Find Full Text PDFDiphenylamine () has been widely utilized in industrial chemicals, but its degradation by HO radicals in the environment has not been fully studied yet. The present study uses quantum chemical calculations to evaluate the reaction of with HO radicals in atmospheric and aqueous environments. The results showed that, in the atmosphere, the diphenylamine reacted with the HO radical rapidly, with an overall rate constant of 9.
View Article and Find Full Text PDFA new fluorescent sensor based on diethylaminosalicylaldehyde-thiosemicarbazide (DST) was studied using a combination of density functional theory calculations and experimental investigations. DST was able to detect the metal ions Ag and Hg in the presence of various competing metal ions and anions, with detection limits of 0.45 and 0.
View Article and Find Full Text PDFHeart failure (HF) causes over 266,400 deaths annually. Despite treatment advancements, HF mortality remains high. Induced pluripotent stem cells (iPSCs) offer promising new options.
View Article and Find Full Text PDFPyrrolo[2,3-]quinoxaline derivatives are known to possess antioxidant, anticancer, and antibacterial properties. Here we report the successful synthesis of five derivatives of 3-hydroxy-3-pyrroline-2-one through substitution. The 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay was employed to evaluate the antioxidant activity of the compounds.
View Article and Find Full Text PDFCoumarinolignans such as cleomiscosin A (CMA), cleomiscosin B (CMB), and cleomiscosin C (CMC) are secondary metabolites that were isolated from diverse plant species. Cleomiscosins (CMs) have numerous interesting biological activities, including noteworthy cytotoxicity of cancer cell lines along with hepatoprotective and assumed antioxidant activities. In this present study, the antioxidant properties of three cleomiscosins were investigated with a focus on the structure-activity relationship using thermodynamic and kinetic calculations with the M06-2X/6-311++G(d,p) method.
View Article and Find Full Text PDFBackground: Stem cell research, particularly in the domain of induced pluripotent stem cell (iPSC) technology, has shown significant progress. The integration of artificial intelligence (AI), especially machine learning (ML) and deep learning (DL), has played a pivotal role in refining iPSC classification, monitoring cell functionality, and conducting genetic analysis. These enhancements are broadening the applications of iPSC technology in disease modelling, drug screening, and regenerative medicine.
View Article and Find Full Text PDFCaffeoylquinic acids (CQAs) are well-known antioxidants. However, a key aspect of their radical scavenging activity - the mechanism of action - has not been addressed in detail thus far. Here we report on a computational study of the mechanism of activity of CQAs in scavenging hydroperoxyl radicals.
View Article and Find Full Text PDFRubiadin (), an anthraquinone derivative, is obtained from , a plant species classified under the Rubiaceae family. Rubiadin has proven beneficial properties, such as anticancer, neuroprotective, anti-inflammatory, and antidiabetic activity. The antioxidant activity of this molecule was suggested by some experimental results but has not been clearly established thus far.
View Article and Find Full Text PDFRosmarinic acid () is reported in separate studies to be either an inducer or reliever of oxidative stress, and this contradiction has not been resolved. In this study, we present a comprehensive examination of the radical scavenging activity of using density functional theory calculations in comparison with experimental data. In model physiological media, exhibited strong HO radical scavenging activity with overall rate constant values of 2.
View Article and Find Full Text PDFActa Neuropathol Commun
October 2023
Distinctive post-translational modifications (PTM) characterize tau inclusions found in tauopathy patients. Using detergent-insoluble tau isolated from Alzheimer's disease (AD-tau) or Progressive Supranuclear Palsy (PSP-tau) patients, we provide insights into whether phosphorylation of critical residues determine templated tau seeding. Our initial data with phosphorylation-ablating mutations (Ser/Thr → Ala) on select sites of P301L tau showed no changes in seeding efficacy by AD-tau or PSP-tau.
View Article and Find Full Text PDFSumatranus lignans () isolated from have demonstrated bioactivities, e.g., they were shown to exhibit immunosuppressive properties in previous research.
View Article and Find Full Text PDFDynamic hydrogel systems from N,O-carboxymethyl chitosan (NOCC) are investigated in the past years, which has facilitated their widespread use in many biomedical engineering applications. However, the influence of the polymer's oxidation levels on the hydrogel biological properties is not fully investigated. In this study, chitosan is converted into NOCC and introduced to react spontaneously with oxidized xanthan gum (OXG) to form several injectable hydrogels with controlled degradability.
View Article and Find Full Text PDFApolipoprotein (APOE) E4 isoform is a major risk factor of Alzheimer's disease and contributes to metabolic and neuropathological abnormalities during brain aging. To provide insights into whether APOE4 genotype is related to tau-associated neurodegeneration, we have generated human P301S mutant tau transgenic mice (PS19) that carry humanized APOE alleles (APOE2, APOE3 or APOE4). In aging mice that succumbed to paralysis, PS19 mice homozygous for APOE3 had the longest lifespan when compared to APOE4 and APOE2 homozygous mice (APOE3 > APOE4 ~ APOE2).
View Article and Find Full Text PDFIn this study, zinc oxide-titanium dioxide/graphene aerogel (ZnO-TiO/GA) was successfully synthesized through a simple and cost-effective hydrothermal self-assembly process. Besides, the surface response model and the experimental design according to the Box-Behnken model were selected to determine the optimal removal efficiency for crystal violet (CV) dye and para-nitrophenol (p-NP) phenolic compound. According to the obtained results, the highest degradation efficiency for CV dye of 99.
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