Identification and molecular docking of xanthine oxidase and α-glucosidase inhibitors in Opuntia ficus-indica fruit.

Opuntia ficus-indica fruit (OFI) is rich in bioactive compounds, which can promote human health. In this work, the purified OFI extract was prepared from OFI and its bioactivities were investigated. Xanthine oxidase (XOD) and α-glucosidase (α-Glu) inhibitors of the purified OFI extract were screened and identified by bio-affinity ultrafiltration combined with UPLC-QTRAP-MS/MS technology. The inhibitory effect of these inhibitors on enzymes were verified, and the potential mechanism of action and binding sites of inhibitors with enzymes were revealed based on molecular docking. The results showed that the total phenolic content of the purified OFI extract was 355.03 mg GAE/g DW, which had excellent antioxidant activity. Additionally, the extract had a certain inhibitory effect on XOD (IC50 = 199.00 ± 0.14 µg/mL) and α-Glu (IC50 = 159.67 ± 0.01 µg/mL). Seven XOD inhibitors and eight α-Glu inhibitors were identified. Furthermore, XOD and α-Glu inhibition experiments in vitro confirmed that inhibitors such as chlorogenic acid, taxifolin, and naringenin had significant inhibitory effects on XOD and α-Glu. The molecular docking results indicated that inhibitors could bind to the corresponding enzymes and had strong binding force. These findings demonstrate that OFI contains potential substances for the treatment of hyperuricemia and hyperglycemia.

Integration of hydrothermal liquefaction of Cyanophyta and supercritical water oxidation of its aqueous phase products: Biocrude production and nutrient removal.

Cyanophyta has the potential to produce biocrude via hydrothermal liquefaction (HTL). However, aqueous phase products (APs), as by-products of HTL, pose a risk of eutrophication for the high levels of carbon, nitrogen, and phosphorus. Supercritical water oxidation (SCWO) can efficiently convert organics into small molecules, offering a technique for the harmless treatment of APs. Effects of holding time, pressure, and moisture content on the biocrude yields from isothermal HTL (300 °C) and fast HTL (salt bath temperature of 500 °C) were comprehensively investigated. Biocrude properties were characterized by elemental analysis, FT-IR and GC-MS. Subsequently, the APs obtained under the conditions producing the highest biocrude yield were subjected to SCWO at 550 °C with different oxidation coefficients (n) from 0 to 2. Removal rates of chemical oxygen demand (COD), ammonia nitrogen (NH3-N), and total phosphorus (TP) were further explored. The results show that the highest biocrude yields from isothermal HTL and fast HTL were 24.2 wt% (300 °C, 1800 s, 25 MPa, and 80 wt% moisture content) and 21.9 wt% (500 °C, 40 s, 25 MPa, and 80 wt% moisture content), respectively. The biocrude primarily consisted of N-containing heterocyclic compounds, amides, and acids. SCWO effectively degraded the COD and TP in APs, while the NH3-N required further degradation. At n = 2, the highest removal rates of COD, NH3-N and TP were 98.5 %, 22.6 % and 89.1 %, respectively.

Insights into near-surface distribution characteristics of multi-form tritium with consideration of atmospheric buoyancy and gravitational deposition.

Tritium contributes majority to the total airborne radioactive effluents from the nuclear facility because of its considerable production and difficulty in separation. Tritium inventory in the fusion reactor would reach an unprecedented magnitude which brings new safety concern. After being released into the atmosphere, inconsistent atmospheric dispersion behaviors might appear regarding different physicochemical forms such as gaseous state HT, gaseous-aerosol-droplet state HTO. In this study, atmospheric dispersion characteristics of multi-form tritium were investigated based on the computational fluid dynamics method validated by multi-fan type wind tunnel experiments. Species transport model and discrete phase model were used to describe atmospheric dispersion of gaseous and aerosol-droplet state tritium, respectively. Deposition velocity was predicted for gaseous and aerosol-droplet state tritium with different particle sizes. Conditions for describing the changes of particle diameter and its influencing on near-surface tritium distribution due to condensation were provided. The results show that buoyancy effect would strengthen along with the increasing gaseous tritium mass fraction in the airborne effluents. We also indicated that obvious gravitational deposition would appear once gaseous HTO was transformed into droplet state HTO with the particle diameter larger than 20 µm. Both the atmospheric buoyancy and deposition phenomenon would result in a quite different near-surface tritium distribution.

Quantitative prediction of dynamic HTO migration behavior in the soil and non-negligible evapotranspiration effect.

Tritium is mainly produced from nuclear facilities apart from nuclear tests. After being released to the environment, tritium would cause water & food contamination due to its radioactivity and mobility. This study investigated dynamic characteristics of tritiated water (HTO) migration in the soil and evapotranspiration effect based on realistic environmental conditions. The influences of soil types and time-varying environmental factors such as precipitation and evapotranspiration on tritium migration behaviors were specially discussed under normal continuous and accidental short-term release conditions. Radiation dose caused by dynamic tritium evapotranspiration was evaluated. The results show that tritium migration velocity in the soil is much higher than other particles such as cesium due to negligible adsorption of tritium by the soil. Tritium migration in the soil from up to down is attributed to precipitation. On the contrary, evapotranspiration factor would carry tritium movement along the opposite direction. A considerable fraction approximately 55% of tritium deposited in the soil would be reemitted into the air from bare soil and plant leaves due to evapotranspiration effect. Subsequently, the radiation dose caused by second plume due to evapotranspiration effect might be higher than the first plume due to direct release from the nuclear facility under routine discharge.