The environmental dependence of redox energetics of PuO2 and \alpha-Pu2O3: A quantitative solution from DFT+U calculations

We report a comprehensive density functional theory (DFT) + $U$ study of the energetics of charged and neutral oxygen defects in both PuO$_{2}$ and $\alpha$-Pu$_{2}$O$_{3}$, and present a quantitative determination of the equilibrium compositions of reduced PuO$_{2}$ (PuO$_{2-x}$) as functions of environmental temperature and partial pressure of oxygen, which shows fairly agreement with corresponding high-temperature experiments. Under ambient conditions, the endothermic reduction of PuO$_{2}$ to $\alpha$-Pu$_{2}$O$_{3}$ is found to be facilitated by accompanying volume expansion of PuO$_{2-x}$ and the possible migration of O-vacancy, whereas further reduction of $\alpha$-Pu$_{2}$O$_{3}$ is predicted to be much more difficult. In contrast to the endothermic oxidation of PuO$_{2}$,\ the oxidation of $\alpha$-Pu$_{2}$O$_{3}$ is a stable exothermic process.Comment: 5 PLA pages, 4 figure

First-principles study of surface properties of PuO2: Effects of thickness and O-vacancy on surface stability and chemical activity

The (111), (110), and (001) surfaces properties of PuO2 are studied by using density-functional theory+U method. The total-energy static calculations determine the relative order of stability for low-index PuO2 surfaces, namely, O-terminated (111) > (110) > defective (001) > polar (001). The effect of thickness is shown to modestly modulate the surface stability and chemical activity of the (110) surface. The high work function of 6.19 eV indicates the chemical inertia of the most stable (111) surface, and the surface O-vacancy with concentration C_V=25% can efficiently lower the work function to 4.35 eV, which is a crucial indicator of the difference in the surface chemical activities between PuO2 and \alpha-Pu2O3. For the polar (001) surface, 50% on-surface O-vacancy can effectively quench the dipole moment and stabilize the surface structure, where the residual surface oxygen atoms are arranged in a zigzag manner along the direction. We also investigate the relative stability of PuO2 surfaces in an oxygen environment. Under oxygen-rich conditions, the stoichiometric O-terminated (111) is found to be the most stable surface. Whereas under O-reducing conditions, the on-surface O-vacancy of C_V = 1/9 is stable, and for high reducing conditions, the (111) surface with nearly one monolayer subsurface oxygen removed (C_V = 8/9) becomes most stable.Comment: 9 JNM pages, 7 figure

Novel Fe-Mn binary oxide-biochar as an adsorbent for removing Cd(II) from aqueous solutions

In this study, a pristine biochar (BC) and Fe-Mn binary oxide-biochar (FMBC) were prepared using Pennisetum sp. straw as the feedstock for Cd(II) removal from aqueous solutions. Scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy and specific surface area (SSA) analyses revealed the physico-chemical characteristics of the pristine and designer adsorbents, suggesting that an ultrasonic treatment during synthesis enhanced the SSA and pore volume of the BC, and assisted successful loading of Fe-Mn binary oxide particles on the BC surface. The Cd(II) adsorption data of the adsorbents were fitted to the Langmuir isothermal and pseudo-second-order kinetic models. At a system temperature of 25 °C and pH 5, the maximum Cd(II) adsorption capacities of BC (30.58 mg/g) and FMBC (95.23 mg/g) were obtained. Multiple Cd(II) adsorption mechanisms by FMBC were identified, including precipitation with minerals, complexation with surface functional groups, Cd(II)-π interactions, and cation exchange. As the most dominant adsorption mechanism, Cd-O bonds were formed on the FMBC surfaces precipitating Cd(OH)2 (63.9 wt%) and CdO (36.1 wt%). The FMBC thus could be potentially used as an effective adsorbent for Cd(II) removal from aqueous solutions

The mechanisms of Yu Ping Feng San in tracking the cisplatin-resistance by regulating ATP-binding cassette transporter and glutathione S-transferase in lung cancer cells

Cisplatin is one of the first line anti-cancer drugs prescribed for treatment of solid tumors; however, the chemotherapeutic drug resistance is still a major obstacle of cisplatin in treating cancers. Yu Ping Feng San (YPFS), a well-known ancient Chinese herbal combination formula consisting of Astragali Radix, Atractylodis Macrocephalae Rhizoma and Saposhnikoviae Radix, is prescribed as a herbal decoction to treat immune disorders in clinic. To understand the fast-onset action of YPFS as an anti-cancer drug to fight against the drug resistance of cisplatin, we provided detailed analyses of intracellular cisplatin accumulation, cell viability, and expressions and activities of ATP-binding cassette transporters and glutathione S-transferases (GSTs) in YPFS-treated lung cancer cell lines. In cultured A549 or its cisplatin-resistance A549/DDP cells, application of YPFS increased accumulation of intracellular cisplatin, resulting in lower cell viability. In parallel, the activities and expressions of ATP-binding cassette transporters and GSTs were down-regulated in the presence of YPFS. The expression of p65 subunit of NF-κB complex was reduced by treating the cultures with YPFS, leading to a high ratio of Bax/Bcl-2, i.e. increasing the rate of cell death. Prim-O-glucosylcimifugin, one of the abundant ingredients in YPFS, modulated the activity of GSTs, and then elevated cisplatin accumulation, resulting in increased cell apoptosis. The present result supports the notion of YPFS in reversing drug resistance of cisplatin in lung cancer cells by elevating of intracellular cisplatin, and the underlying mechanism may be down regulating the activities and expressions of ATP-binding cassette transporters and GSTs

Design and Optimization of a Hybrid-Driven Waist Rehabilitation Robot

In this paper a waist rehabilitation robot driven by cables and pneumatic artificial muscles (PAMs) has been conceptualized and designed. In the process of mechanism design, the human body structure, the waist movement characteristics, and the actuators’ driving characteristics are the main considerable factors to make the hybrid-driven waist rehabilitation robot (HWRR) cost-effective, safe, flexible, and well-adapted. A variety of sensors are chosen to measure the position and orientation of the recovery patient to ensure patient safety at the same time as the structure design. According to the structure specialty and function, the HWRR is divided into two independent parallel robots: the waist twist device and the lower limb traction device. Then these two devices are analyzed and evaluated, respectively. Considering the characters of the human body in the HWRR, the inverse kinematics and statics are studied when the waist and the lower limb are considered as a spring and link, respectively. Based on the inverse kinematics and statics, the effect of the contraction parameter of the PAM is considered in the optimization of the waist twist device, and the lower limb traction device is optimized using particle swarm optimization (PSO) to minimize the global conditioning number over the feasible workspace. As a result of the optimization, an optimal rehabilitation robot design is obtained and the condition number of the Jacobian matrix over the feasible workspace is also calculated

Long Noncoding RNA WDFY3-AS2 Represses the Progression of Esophageal Cancer through miR-18a/PTEN Axis

Background. Understanding the role of lncRNAs in the development of human malignancies is necessary for the targeted therapy of malignant tumors, including esophageal cancer (EC). Nevertheless, the specific role and regulatory mechanism of lncRNA WDFY3-AS2 in EC are still unclear. Here, we examined the functional role and regulatory mechanism of WDFY3-AS2 in EC. Materials and Methods. RT-qPCR assay was applied to measure the expression of WDFY3-AS2 and miR-18a in EC samples and cells. The luciferase reporter and RIP assays were used to check the relationship between WDFY3-AS2, miR-18a, and PTEN. Counting Clock Kit-8 (CCK-8) assay was carried out to detect cell viability, and transwell assays were used for measuring cell migration and invasion. Results. Underexpression of WDFY3-AS2 was found in EC specimens and cells, which predicted a poor prognosis of EC patients. Reexpression of WDFY3-AS2 repressed the progression of EC via inhibiting cell proliferation, migration, and invasion. Additionally, WDFY3-AS2 was negatively correlated with miR-18a and positively with PTEN. Furthermore, we discovered that the expression of PTEN decreased by miR-18a mimic was rescued by WDFY3-AS2 overexpression. Conclusions. WDFY3-AS2 modulates the expressional level of PTEN as a competitive endogenous RNA via sponging miR-18a in EC, which suggests that the WDFY3-AS2/miR-18a/PTEN pathway might be involved in the progression of EC

Influences of Traction Load Shock on Artificial Partial Discharge Faults within Traction Transformer—Experimental Test for Pattern Recognition

Partial discharge (PD) measurement and its pattern recognition are vital to fault diagnosis of transformers, especially to those traction substation transformers undergoing repetitive traction load shocks. This paper presents the primary factors induced by traction load shocks including high total harmonics distortion (THD), transient voltage impulse and high-temperature rise, and their effects on the feature parameters of PD. Experimental tests are conducted on six artificial PD models with these factors introduced one by one. Results reveal that the maximum PD quantity and the PD repetitive rate are favorable to be enlarged when the oil temperature exceeds 80 °C or the THD is higher than 16% with certain orders of harmonic. The decline in PD inception voltage can mainly be attributed to the transient voltage impulse. The variation in central frequency of the fast Fourier transformation (FFT) spectra transformed from ultra-high frequency signals can mainly be attributed to high THD, especially when it exceeds 20%. The temperature rise has no significant influence on the FFT spectra; the transient voltage impulse, however, can result in a central frequency shift of the floating particle discharge. With the rapid development of high-speed railways, the study presented in this paper will be helpful for field PD detection and recognition of traction substation transformers in the future

Influence of Aged Biochar Modified by Cd2+ on Soil Properties and Microbial Community

Biochar is a promising addition for cadmium-contaminated soil in-situ remediation, but its surface properties change after aging, cadmium adsorption is not well-documented, and subsequent environmental effects are still unknown. In this study, wood-derived (Eucalyptus saligna Sm.) biochar was pre-treated to simulate aging and the cadmium sorption process. We then analyzed the resulting physicochemical characteristics. We conducted comparative incubation studies on three age stages of biochar under cadmium adsorption or no cadmium adsorption and then measured soil properties and microbial communities after incubation. Biochar addition raised soil organic carbon (SOC), and aging significantly increased C/N ratios. Aged biochar promoted higher microbial abundance. Aged biochar treatments possessed different microflora with more gram-positive bacteria, significantly altering gram-positive/gram-negative bacteria ratios. Aging significantly increased the oxygen-containing functional groups (OCFGs) and surface area (SA) of biochar. Thus, aged biochar adsorbed more cadmium. Cadmium-binding biochar increased the proportion of gram-negative bacteria and decreased the proportions of gram-positive bacteria and fungi. Similar patterns in phospholipid fatty acids (PLFAs) across adsorption treatments indicated that changes in microbial communities due to the effects of cadmium were confined. The results reveal that biochar aging altered microbial community structure and function more than cadmium binding

Spatial Distribution and Source Apportionment of Soil Heavy Metals in Pearl River Delta, China

The contents of ten heavy metals (HMs) (Cu, Pb, Zn, Cd, Ni, Cr, Hg, As, Co, and Mn) in 80 surface soil samples (0–20 cm) were investigated in the Pearl River Delta (PRD), Guangdong Province, China. The average contents of Cu, Pb, Zn, Cd, Ni, Cr, Hg, As, Co, and Mn were 16.45, 40.20, 45.10, 0.09, 12.93, 47.93, 0.13, 14.44, 5.68, and 199.66 mg/kg, respectively. The soil quality was generally good, though slightly higher levels (1.17, 1.61, 1.67, and 1.62 times) of soil Pb, Cd, Hg, and As contents were observed compared with the soil background values. The spatial distribution of soil HM pollution in the PRD showed that 36% of sample sites were evaluated as sites without soil pollution, 32% as sites with slight pollution, 20% as sites with nearly moderate pollution, 9% as sites with moderate pollution, and 3% as site with serious pollution. Source apportionment analysis showed that the source of 64.33% of soil HMs in the PRD could be explained by natural and industrial sources, 24.80% by transportation, and 10.87% by agricultural activities