Background: Primary percutaneous coronary intervention (PCI) can dislodge atherosclerotic debris, risking microvascular embolism. Thrombus aspiration (TA) before stenting in ST-segment elevation myocardial infarction (STEMI) patients has been linked to reduced mortality, lower recurrence of heart attacks, and improved cardiac function. However, limited research exists on the effectiveness of TA in Vietnam, underscoring the need for further studies to enhance cardiovascular care.
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 PDFMethylene Blue (MB) is an industrial chemical used in a broad range of applications, and hence its discharge is a concern. Yet, the environmental effects of its degradation by HO˙ radicals have not been fully studied yet. This study employs quantum chemical calculations to investigate the two-step degradation of MB by HO˙ radicals in aqueous environments.
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 PDFPoly(-vinylpyrrolidone) (PVP) is a polymer with many applications in cosmetic, pharmaceutical, and biomedical formulations due to its minimal toxicity. PVP can be synthesized through radical polymerization in organic solvents; this well-known industrial process is thoroughly characterized experimentally, however, quantum chemical modeling of the process is scarce: the mechanism and kinetics have not been thoroughly investigated yet. In this work, the mechanism and kinetics of the alkoxy radical polymerization of -vinylpyrrolidone in organic solvents, namely isopropanol (IP) and toluene (TL), were successfully modeled by computational chemistry.
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.
View Article and Find Full Text PDF2-Mercaptoimidazole () is related to natural ovothiols that are recognized as powerful radical scavengers. Yet, despite early reports of its potent antioxidant properties, received little attention. Specifically, its radical scavenging activity against typical free radicals like HO and HOO has not yet been studied in terms of its mechanism and kinetics.
View Article and Find Full Text PDFis a widely used medicinal herb in Vietnam, China, India, and Japan for the treatment of a variety of conditions, including toothache, chest pains, piles, and spleen inflammation. There is broad interest in identifying the composition of its extracts and confirming their numerous biological activities, including anti-nociceptive, antiviral, and anticancer properties. Two iridoid glucosides obtained from the MeOH extract of , 6'-O--feruloylmonotropein (6-FMT) and 10'-O--feruloylmonotropein (10-FMT), are potential antioxidants based on their structure.
View Article and Find Full Text PDFNicotine (NCT) is a prevalent and highly poisonous tobacco alkaloid found in wastewater discharge. Advanced oxidative processes (AOP) are radical interactions between harmful pollutants and ambient free radicals that, theoretically, result in less toxic compounds. For a better understanding of the chemical transformations and long-term environmental effects of toxic discharges, the study of these processes is crucial.
View Article and Find Full Text PDFGlycozolidol was isolated from the root of (6-hydroxy-2-methoxy-3-methylcarbazole, GLD). This molecule attracted considerable interest due to its beneficial biological activities that likely stem from its antioxidant activity; yet, the radical scavenging action of GLD has not been investigated thus far. In this study, DFT calculations were used to estimate the radical scavenging activity of GLD against a variety of biologically significant radical species in physiological environments.
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