Structural Aspects of P2-Type Na0.67Mn0.6Ni0.2Li0.2O2 (MNL) Stabilization by Lithium Defects as a Cathode Material for Sodium-Ion Batteries

A known strategy for improving the properties of layered oxide electrodes in sodium-ion batteries is the partial substitution of transition metals by Li. Herein, the role of Li as a defect and its impact on sodium storage in P2-Na_0.67Mn_0.6Ni_0.2Li_0.2O₂ is discussed. In tandem with electrochemical studies, the electronic and atomic structure are studied using solid-state NMR, operando XRD, and density functional theory (DFT). For the as-synthesized material, Li is located in comparable amounts within the sodium and the transition metal oxide (TMO) layers. Desodiation leads to a redistribution of Li ions within the crystal lattice. During charging, Li ions from the Na layer first migrate to the TMO layer before reversing their course at low Na contents. There is little change in the lattice parameters during charging/discharging, indicating stabilization of the P2 structure. This leads to a solid-solution type storage mechanism (sloping voltage profile) and hence excellent cycle life with a capacity of 110 mAh g^-1 after 100 cycles. In contrast, the Li-free compositions Na_0.67Mn_0.6Ni_0.4O₂ and Na_0.67Mn_0.8Ni_0.2O₂ show phase transitions and a stair-case voltage profile. The capacity is found to originate from mainly Ni³⁺/Ni⁴⁺ and O^2-/O^2-δ redox processes by DFT, although a small contribution from Mn⁴⁺/Mn⁵⁺ to the capacity cannot be excluded.     

Assessment of Mixture and Eulerian Multiphase Models in Predicting the Thermo-Fluidic Transport Characteristics for Fly Ash-Water Slurry Flow in Straight Horizontal Pipeline

The thermo-fluidic transport characteristics of the fly ash–water slurry flow in a straight horizontal pipe are predicted by deploying two different multiphase modeling strategies, viz. the mixture and the Eulerian multiphase models. Comparisons between the two model predictions in terms of the pressure drop and heat transfer coefficient are done along with the comparisons between the single (water) and the two phase system (slurry). Spherical fly ash particles, with diameter of 13 µm for an average inflow velocity ranging from 1 to 5 m/s and particle concentrations within 0–40% by volume for each velocity are considered as the dispersed phase carried by the carrier phase water. Significant differences between the two model predictions can be observed both from the qualitative and quantitative perspectives. This finally leads to the appropriate choice of the multiphase model for predicting the thermo-fluidic transport characteristics in slurry flow.     

Graft copolymerization onto rubber. VII. Graft copolymerization of methyl methacrylate onto rubber using potassium peroxydisulfate catalyzed by silver ion

The graft copolymerization of methyl methacrylate onto natural rubber (NR) was carried out varying the concentration of monomer, initiator, thiourea, and silver nitrate over a wide range. The grafting reaction was temperature-dependent. From the Arrhenius plot, the overall energy of activation was computed. A suitable reaction scheme and rate expression for the rate of polymerization was suggested.     

Weak coin flipping with small bias

This paper presents a quantum protocol that demonstrates that weak coin flipping with bias ≈0.239, less than 1/4, is possible. A bias of 1/4 was the smallest known, and followed from the strong coin flipping protocol of Ambainis in [33rd STOC, 2001] (also proposed by Spekkens and Rudolph [Phys. Rev. A 65 (2002) 012310]). Protocols with yet smaller bias ≈0.207 have independently been discovered by Ambainis (2001) and Spekkens and Rudolph [Phys. Rev. Lett. 89 (2002) 227901]. We also present an alternative strong coin flipping protocol with bias 1/4 with analysis simpler than that of Ambainis [33rd STOC, 2001].     

1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine as a substrate of cytochrome P450 2D6: allosteric effects of NADPH-cytochrome P450 reductase

1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP), a neurotoxin that produces Parkinsonism symptoms in man, has been examined as a substrate of recombinant human cytochrome P450 2D6. When cumene hydroperoxide is used as an oxygen and electron donor, a single product is formed, identified as 4-phenyl-1,2,3,6-tetrahydropyridine. The K(m) for formation of this product (130 microM) is in agreement with the dissociation constants for MPTP binding to the enzyme determined by optical and nuclear magnetic resonance (NMR) spectroscopy. When the reaction is carried out with nicotinamide adenine dinucleotide phosphate (reduced) (NADPH) and recombinant human NADPH-cytochrome P450 reductase, a second product, identified as 1-methyl-4-(4'-hydroxyphenyl)-1,2,3,6-tetrahydropyridine, is formed in addition to 4-phenyl-1,2,3,6-tetrahydropyridine. The K(m) values for formation of these two products are 19 microM and 120 microM, respectively. Paramagnetic relaxation experiments have been used to measure distances between the protons of bound MPTP and the heme iron, and these have been used to construct models for the position and orientation of MPTP in the active site. For the cytochrome alone, a single mode of binding was observed, with the N-methyl close to the heme iron in a position appropriate for the observed N-demethylation reaction. In the presence of the reductase, the data were not consistent with a single mode of binding but could be explained by the existence of two alternative orientations of MPTP in the active site. One of these, characterized by a dissociation constant of 150 microM, is essentially identical to that observed in the absence of the reductase. In the second, which has a K(d) of 25 microM, the MPTP is oriented so that the aromatic ring is close to the heme iron, in a position appropriate for p-hydroxylation leading to the formation of the product seen only in the presence of the reductase. In the case of codeine, another substrate for cytochrome P450 2D6, the addition of reductase had no effect on the nature of the product formed, the dissociation constant, or the orientation in the binding site. These observations show that NADPH-cytochrome P450 reductase has an allosteric effect on the active site of cytochrome P450 2D6 that affects the binding of some substrates but not others.     

Influence of Hydroxypropyl Methylcellulose and of Manufacturing Technique on in Vitro Performance of Selected Antacids

Factors affecting the performance of antacids F-MA 11, dihydroxy aluminum aminoacetate, magaldrate and magnesium hydroxide were studied in vitro using Schaub's acid neutralization test, a modified Reheis reaction velocity test and the USP test. From the results obtained it was evident that type and combination of antacid, the adjuvants and formulation techniques used in preparation of antacids affect their performance. The USP preliminary antacid test and acid neutralization test are not optimal in vitro tests to evaluate in vitro onset and duration of action of antacids.