An enhanced methodology for predicting protein-protein interactions between human and hepatitis C virus via ensemble learning algorithms.

Hepatitis C virus (HCV) is responsible for a variety of human life-threatening diseases, which include liver cirrhosis, chronic hepatitis, fibrosis and hepatocellular carcinoma (HCC) . Computational study of protein-protein interactions between human and HCV could boost the findings of antiviral drugs in HCV therapy and might optimize the treatment procedures for HCV infections. In this analysis, we constructed a prediction model for protein-protein interactions between HCV and human by incorporating the features generated by pseudo amino acid compositions, which were then carried out at two levels: categories and features. In brief, extra-tree was initially used for feature selection while SVM was then used to build the classification model. After that, the most suitable models for each category and each feature were selected by comparing with the three ensemble learning algorithms, that is, Random Forest, Adaboost, and Xgboost. According to our results, profile-based features were more suitable for building predictive models among the four categories. AUC value of the model constructed by Xgboost algorithm on independent data set could reach 92.66%. Moreover, Distance-based Residue, Physicochemical Distance Transformation and Profile-based Physicochemical Distance Transformation performed much better among the 17 features. AUC value of the Adaboost classifier constructed by Profile-based Physicochemical Distance Transformation on the independent dataset achieved 93.74%. Taken together, we proposed a better model with improved prediction capacity for protein-protein interactions between human and HCV in this study, which could provide practical reference for further experimental investigation into HCV-related diseases in future.Communicated by Ramaswamy H. Sarma.

Debromination of polybrominated diphenyl ethers (PBDEs) by palladized zerovalent zinc particles: Influence factors, pathways and mechanism.

We synthesized a novel material, namely palladized zero-valent zinc (Pd/ZVZ), and investigated its efficiency for the degradation of polybrominated diphenyl ethers (PBDEs). The plated Pd significantly enhances the degradation rate of PBDEs by ZVZ at the optimum loading of 1% by weight. In the Pd/ZVZ system, very few lower BDEs were accumulated during the degradation of 2,2',4,4'- tetrabromodiphenyl ether (BDE-47) and the final product is diphenyl ether, whereas the ZVZ system only debrominates BDE-47 to di-BDE and further debromination becomes very difficult. The degradation rates of BDEs by ZVZ greatly decreased with decreased bromination level, while in Pd/ZVZ system, the degradation rates of PBDEs did not show a significant difference. These indicate different mechanisms. This was confirmed by investigating the debromination pathways of the PBDEs in both systems. We determined that a H-transfer was the dominant mechanism in the Pd/ZVZ system. In addition, the reactivity of Pd/ZVZ to BDE-47 is pH-independent, which has a great advantage for various applications over ZVZ alone. Our study provides a new approach for the remediation of the PBDEs pollution.

Effects of surfactants on the preparation of MnO2 and its capacitive performance.

Amorphous hydrated manganese dioxide (MnO2) was prepared as an electrode material for supercapacitors by liquid co-precipitation in the presence of polyvinylpyrrolidone (PVP), polyethylene glycol (PEG) and sodium dodecylbenzenesulfonate (SDBS) respectively. The obtained samples were characterized by x-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), high-resolution transmission electron microscopy (HRTEM), and electrochemical methods. Physical characterizations confirmed that the addition of surfactants played an important role in the preparation of MnO2. The specific surface areas of MnO2 with the addition of PEG, SDBS and PVP were 169.92 m2/g, 137.40 m2/g and 196.64 m2/g, respectively, and the corresponding capacitances were 207.9 F/g, 187.5 F/g and 238.7 F/g. Compared with the sample without surfactants, the specific surface area and capacitance of the sample with the addition of PVP were improved by 92.2% and 53.1%, respectively. Moreover, the electrode showed good cycle stability at the current density of 120 mA/g, and 91.1% of its specific capacitance still remained after 500 cycles. It was concluded that this performance improvement was attributed to the electrostatic stabilization of the multivariate alkyl residue and cyano group (-NCO) as anchoring group, as well as the steric hindrance effect from lateral polarity groups of pentabasic ring in PVP structure.

Electrochemical behaviour of Ti-Ni SMA and Co-Cr alloys in dynamic Tyrode's simulated body fluid.

The electrochemical behaviour of Ti-Ni shape memory alloy and Co-Cr alloys were investigated in dynamic Tyrode's simulated body fluid on a Model CP6 Potentiostat/Galvanostat. The results indicated that, for all alloys, the anodic dissolution and the pitting sensitivity increased with the flow rate of the Tyrode's solution increasing while the open-circuit potentials and pitting corrosion potentials decreased with the Tyrode's solution increasing. Pitting corrosion of Ti-Ni alloy was easier than Co-Cr alloys. Since the solution's flow enhanced oxygen transform and made it easy to reach the surface of electrodes, the plateau of oxygen diffusion control was diminished. All these indicated that the cathodic reduction and the corrosion reaction, which was controlled by the electrochemical mass transport process, were all accelerated in dynamic Tyrode's simulated body fluid.

Electrochemical characteristic of TiNi shape memory alloy in artificial body fluids.

In this work, the electrochemical characteristic of TiNi shape memory alloy (SMA) in Hank's solution was studied. The results indicated that low potential active dissolution of TiNi SMA occurred at a potential range of 150-250 mV during anodic polarizing. Its corrosion resistance was not affected by temperature, but was deeply affected by pH and Cl- ion concentration. Decreasing pH and improving Cl- ion concentration made the pitting broken potential (Eb) move toward negative and increased the sensitivity to pitting corrosion. Electro-probe microanalyzer and scanning electron microscope analysis showed that low potential active dissolution resulted in forming Ti2Ni precipitation phase in the hole, which enriched Ti and deficient Ni, became the sensitive position to pitting corrosion.

Study on hemocompatibility and corrosion behavior of ion implanted TiNi shape memory alloy and Co-based alloys.

Biomedical TiNi shape memory alloy and Co-based alloys were ion implanted, and corrosion resistance and hemocompatibility of these had been investigated with electrochemical method, dynamic clotting time, and hemolysis rate tests. The results indicated that the electrochemical stability and anodic polarization behavior of the materials were improved significantly after ion implantation. When TiNi, Co-based alloys were implanted Mo + C and Ti + C, respectively, the corrosion potentials were enhanced more than 200 mV, passive current densities decreased, and passive ranges were broadened. Dynamic clotting time of the ion implanted substances was prolonged and hemolysis rate decreased. All the results pointed out that corrosion resistance and hemocompatibility of the alloys were improved by ion implantation, and effects of dual implantation was better than that of C single implantation. X-ray diffraction analysis of the alloys after dual implantation revealed that TiC, Mo(2)C, Mo(9)Ti(4), and Mo appeared on the surface of TiNi alloy, and CoC(x), Co(3)Ti, TiC, and TiO on the surface of Co-based alloys. These phases dispersing on the alloy surface formed amorphous film, prevented dissolving of alloy elements and improved the corrosion resistance and hemocompatibility of the alloys.

[Measurement of low corrosion rate of coronary stents-made of 316L and 317L stainless steel].

Electrochemical constant current linear polarization and atomic absorption spectroscopy were used to measure the corrosion rate of coronary stents made of 316L and 317L stainless steel in 30 degrees C Tyrode's solution. The results indicated that the corrosion rate of 316L and 317L stainless steel was 21 X 10(-3) microm/a, 9.8 X 10(-3) microm/a and 0.8 X 10(-3) m/a, 0.6 X 10(-3) microm/a, respectively. All corrosion rates were lower than the medical materials corrosion rate criteria, i.e. 0.25 microm/a. Moreover the corrosion resistance of 317L stainless steel was much higher than that of 316L stainless steel. The results from atomic absorption spectroscopy may correctly reflect the quantity of releasing metal ions in the solution.

[Study on electrochemical mechanism of coronary stent used austenitic stainless steel in flowing artificial body fluid].

The electrochemical mechanism of austenitic stainless steel (SUS316L and SUS317L) coronary stents in flowing artificial body fluid has been investigated with electrochemical technologies. The results indicated that the flowing medium coursed the samples' pitting potential Eb shift negatively, increased the pitting corrosion sensitivity, accelerated its anodic dissolution, but had little effects on repassivated potential. The flowing environment had great effects on cathodic process. The oxygen reaction on the samples' surface became faster as the cathodic process was not controlled by oxygen diffusion but by mixed diffusion and electrochemical process. With the increase of velocity of solution, the pitting corrosion becomes liable to occur under this circumstance.

Corrosion behavior of Cu and the Cu-Zn-Al shape memory alloy in simulated uterine fluid.

Chemical immersion tests, electrochemical methods and atomic absorption spectrometry were employed to investigate the corrosion behavior of Cu and the Cu-Zn-Al shape memory alloy (SMA) in simulated uterine fluid. The effect of pH on corrosion rate and corrosion potential was also investigated. The results indicated that in the static state in simulated uterine fluid, dealuminumification of the Cu-Zn-Al alloy occurred with Cl- combining with aluminum ions to form hydroxyl aluminum chloride. The hydroxyl aluminum chloride hydrolyzed readily and facilitated further dealuminumification corrosion. The corrosion process of Cu and Cu-Zn-Al SMA in simulated uterine fluid was controlled by cathodic reduction of oxygen. Because the tendency for surface ionization is greater for aluminum than for zinc, a compact protective aluminum layer was formed, which inhibited the cathodic reduction of oxygen. Hence, the corrosion rate of Cu-Zn-Al SMA was smaller than that of Cu in simulated uterine fluid. With increasing pH, the corrosion rate of Cu and Cu-Zn-Al SMA in simulated uterine fluid decreased and the open-circuit potential moved in a positive direction.

[Corrosion rate measurements of biomedical TiNi shape memory alloy and cobalt alloys].

The corrosion rates of TiNi, CoCrNiW and CoCrNiMo were measured in Tyrode's solution with potentiodynamic linear polarization, fore-point weak polarization, Cao Chunan weak polarization, transient linear polarization and atomic absorption spectroscopy. Results indicated that corrosion rates of these three alloys were very low due to their excellent corrosion resistance and the corrosion resistance of CoCrNiMo was the best. Corrosion rates of TiNi, CoCrNiW and CoCrNiMo were 0.691, 0.0595, 0.0490 micron/a and 0.0528, 0.0383, 0.0387 micron/a, respectively. The results measured by the first three methods were about ten times of those by the latter two methods, this was related to the applicability of each method and the alloy surface state. Transient linear polarization technique can determine low corrosion rate conveniently and quickly. Atomic absorption spectroscopy method, determining directly the concentration of ion in solution, and thus provide reference for material biocompatibility. And these two methods are properly used in measuring corrosion rates for biomedical materials.