Green tea polyphenol-reduced graphene oxide: derivatisation, reduction efficiency, reduction mechanism and cytotoxicity

This paper reports on the derivatisation, reduction efficiency, reduction mechanism and cytotoxicity of green tea polyphenol-reduced graphene oxide (GTP-RGO). The reduction of graphene oxide (GO) at 90°C using a weight ratio (WR) of GTP/GO=1 resulted in the production of a stable GTP-RGO dispersion in aqueous media, as indicated by the results of ultravioletvisible (UV-Vis) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA) and the measurement of zeta potential and electrophoretic mobility. In addition, the results from UV-Vis spectroscopy and X-ray photoelectron spectroscopy (XPS) analysis indicated the comparable reduction ability of GTP relative to the standard reducing agent, hydrazine (N2H4). The removal mechanism of epoxy group from GO via reduction reaction with GTP was investigated by implementing hybrid functional method of Becke-3-parameters-Lee-Yang-Parr (B3LYP)using Gaussian 09 software. The energy and frequency calculations showed that the GO reduction using GTP was more spontaneous and relatively took place faster than the reduction using N2H4, as evidenced by higher entropy change (ΔS) (0.039 kcal/mol·K) and lower Gibbs free energy (ΔG) barrier (58.880 kcal/mol).The cytotoxicities of GO and GTP-RGO samples were evaluated against human colonic fibroblasts cells (CCD-18Co). The GO sample was determined to be toxic even at low concentration (6.25 μg/mL), while the GTP-RGO sample possesses notably low toxicity at the same concentration. The cell culture experiments revealed that the incorporation of GTP led to a decrease in the toxicity of GTP-RGO samples

Future scope and directions of nanotechnology in creating next-generation supercapacitors

The primary global research scheme of the 21st century is nanotechnology. Looking forward to the future, nanotechnologies’ generalized diffusion will seem to turn them into supplies, generating more space for privileged and superior values of applications such as information technology, nanoenergy, nanobiotechnologies, and nanomaterials.1-5 In general, nanotechnology is the understanding and controlling of the matters of dimensions of approximately 1-100 nm, in which a unique phenomenon facilitates novel applications.2 The application domains covered by nanotechnology are discussed in detail in this chapter

Optimization of pH as a strategy to improve enzymatic saccharification of wheat straw for enhancing bioethanol production

In this work, wheat straw (WS) was used as a lignocellulosic substrate to investigate the influence of pH on enzymatic saccharification. The optimum enzymatic hydrolysis occurred at pH range 5.8 – 6.0, instead of 4.8 - 5.0 as has been widely reported in research. Two enzymes cocktails, Celluclast® 1.5L with Novozymes 188, Cellic® CTec2 and endo-1, 4-β-Xylanase, were used for the pH investigation over a pH range of 3.0 – 7.0. The highest concentration of total reduced sugar was found at pH 6.0 for all the different enzymes used in this study. The total reduced sugar produced from the enzymatic saccharification at pH 6.0 was found to be 7.0, 7.4 and 10.8 (g L-1) for Celluclast® 1.5L with Novozymes 188, endo-1, 4-β-Xylanase and Cellic® CTec2, respectively. By increasing the pH from 4.8 to 6.0, the total reduced sugar yield increased by 25% for Celluclast® 1.5L with Novozymes 188 and endo-1, 4-β-Xylanase and 21% for Cellic® CTec2. The results from this study indicate that WS hydrolysis can be improved significantly by elevating the pH at which the reaction occurs to the range of 5.8 to 6.0

Investigation of the chemocatalytic and biocatalytic valorization of a range of different lignin preparations: The importance of β-O-4 content

A set of seven different lignin preparations was generated from a range of organosolv (acidic, alkaline, ammonia-treated, and dioxane-based), ionic liquid, autohydrolysis, and Kraft pretreatments of lignocelluloses. Each lignin was characterized by 2D HSQC NMR spectroscopy, showing significant variability in the β-O-4 content of the different lignin samples. Each lignin was then valorised using three biocatalytic methods (microbial biotransformation with Rhodococcus jostii RHA045, treatment with Pseudomonas fluorescens Dyp1B or Sphingobacterium sp. T2 manganese superoxide dismutase) and two chemocatalytic methods (catalytic hydrogenation using Pt/alumina catalyst, DDQ benzylic oxidation/Zn reduction). Highest product yields for DDQ/Zn valorization were observed from poplar ammonia percolation-organosolv lignin, which had the highest β-O-4 content of the investigated lignins and also gave the highest yield of syringaldehyde (243 mg L -1 ) when using R. jostii RHA045 and the most enzymatic products using P. fluorescens Dyp1B. The highest product yield from the Pt/alumina hydrogenation was observed using oak dioxasolv lignin, which also had a high β-O-4 content. In general, highest product yields for both chemocatalytic and biocatalytic valorization methods were obtained from preparations that showed highest β-O-4 content, while variable yields were obtained with preparations containing intermediate β-O-4 content, and little or no product was obtained with preparations containing low β-O-4 content

The collapsed tetragonal phase as a strongly covalent and fully nonmagnetic state: persistent magnetism with interlayer As-As bond formation in Rh-doped Ca0.8_{0.8}Sr0.2_{0.2}Fe2_2As2_2

A well-known feature of CaFe$_{2}$As$_{2}$-based superconductors is the pressure-induced collapsed tetragonal phase that is commonly ascribed to the formation of an interlayer As-As bond. Using detailed X-ray scattering and spectroscopy, we find that Rh-doped Ca$_{0.8}$Sr$_{0.2}$Fe$_{2}$As$_{2}$ does not undergo a first-order phase transition and that local Fe moments persist despite the formation of interlayer As-As bonds. Our density functional theory calculations reveal that the Fe-As bond geometry is critical for stabilizing magnetism and that the pressure-induced drop in the $c$ lattice parameter observed in pure CaFe$_{2}$As$_{2}$ is mostly due to a constriction within the FeAs planes. These phenomena are best understood using an often overlooked explanation for the equilibrium Fe-As bond geometry, which is set by a competition between covalent bonding and exchange splitting between strongly hybridized Fe $3d$ and As $4p$ states. In this framework, the collapsed tetragonal phase emerges when covalent bonding completely wins out over exchange splitting. Thus the collapsed tetragonal phase is properly understood as a strong, covalent phase that is fully nonmagnetic with the As-As bond forming as a byproduct.Comment: 6 pages, 2 figures, and 1 table. Supplemental materials are available by reques

Linear-response theory and lattice dynamics: a muffin-tin orbital approach

A detailed description of a method for calculating static linear-response functions in the problem of lattice dynamics is presented. The method is based on density functional theory and it uses linear muffin-tin orbitals as a basis for representing first-order corrections to the one-electron wave functions. As an application we calculate phonon dispersions in Si and NbC and find good agreement with experiments.Comment: 18 pages, Revtex, 2 ps figures, uuencoded, gzip'ed, tar'ed fil

Electron-phonon relaxation and excited electron distribution in zinc oxide and anatase

We propose a first-principle method for evaluations of the time-dependent electron distribution function of excited electrons in the conduction band of semiconductors. The method takes into account the excitations of electrons by external source and the relaxation to the bottom of conduction band via electron-phonon coupling. The methods permits calculations of the non-equilibrium electron distribution function, the quasi-stationary distribution function with steady-in-time source of light, the time of setting of the quasi-stationary distribution and the time of energy loss via relaxation to the bottom of conduction band. The actual calculations have been performed for titanium dioxide in the anatase structure and zinc oxide in the wurtzite structure. We find that the quasi-stationary electron distribution function for ZnO is a fermi-like curve that rises linearly with increasing excitation energy whereas the analogous curve for anatase consists of a main peak and a shoulder. The calculations demonstrate that the relaxation of excited electrons and the setting of the quasi-stationary distribution occur within the time no more than 500 fsec for ZnO and 100 fsec for anatase. We also discuss the applicability of the effective phonon model with energy-independent electron-phonon transition probability. We find that the model only reproduces the trends in changing of the characteristic times whereas the precision of such calculations is not high. The rate of energy transfer to phonons at the quasi-stationary electron distribution also have been evaluated and the effect of this transfer on the photocatalyses has been discussed. We found that for ZnO this rate is about 5 times less than in anatase.Comment: 21 p., 9 figure

Association of Operator and Hospital Experience With Procedural Success Rates and Outcomes in Patients Undergoing Percutaneous Coronary Interventions for Chronic Total Occlusions: Insights From the Blue Cross Blue Shield of Michigan Cardiovascular Consortium

BACKGROUND: An inverse relationship has been described between procedural success and outcomes of all major cardiovascular procedures. However, this relationship has not been studied for percutaneous coronary intervention (PCI) of chronic total occlusion (CTO). METHODS: We analyzed the data on patients enrolled in Blue Cross Blue Shield of Michigan Cardiovascular Consortium registry in Michigan (January 1, 2010 to March 31, 2018) to evaluate the association of operator and hospital experience with procedural success and outcomes of patients undergoing CTO-PCI. CTO-PCI was defined as intervention of a 100% occluded coronary artery presumed to be ≥3 months old. RESULTS: Among 210 172 patients enrolled in the registry, 7389 (3.5%) CTO-PCIs were attempted with a success rate of 53%. CTO-PCI success increased with operator experience (45% and 65% in the lowest and highest experience tertiles) and was the highest for highly experienced operators at higher experience centers and the lowest for inexperienced operators at low experience hospitals. Multivariable logistic regression models (with spline transformed prior operator and institutional experience) demonstrated a positive relationship between prior operator and site experience and procedural success rates (likelihood ratio test=141.12, df=15, P\u3c0.001) but no relationship between operator and site experience and major adverse cardiac event (likelihood ratio test=19.12, df=15, P=0.208). CONCLUSIONS: Operator and hospital CTO-PCI experiences were directly related to procedural success but were not related to major adverse cardiac event among patients undergoing CTO-PCIs. Inexperienced operators at high experience centers had significantly higher success but not major adverse cardiac event rates compared with inexperienced operators at low experience centers. These data suggested that CTO-PCI safety and success could potentially be improved by selective referral of these procedures to experienced operators working at highly experienced centers