Optoelectronic properties of rutile (TiO2)

We present here a study of the electronic and optical properties of rutile (TiO₂). An investigation into the energy, pressure and temperature dependence of n_eff and ε_{∞ eff} is presented. Using the calculated values of n_eff and ε_{∞ effs}, we evaluate the Penn gap. The Penn gap thus obtained is shown to be in good agreement with the reflectivity data and also with the value obtained from band structure. In addition, we also show that essentially the Varshni formula explains the temperature dependence of the energy gap for rutile fairly well.     

The validity of the strong perfect-graph conjecture for (K4−e)-free graphs

Berge's strong perfect-graph conjecture states that a graph is perfect iff it has neither C_2n+1 nor $\text{C}{}_{\mathrm{2n+1}}$, n ≥ 2 as an induced subgraph. In this note we establish the validity of this conjecture for (K₄?e)-free graphs.     

Nuclease activity of 2-substituted heteroaromatic thiosemicarbazone and semicarbazone copper(II) complexes

Copper(II) Schiff base complexes derived from furan-2-carboxaldehyde, 2-furylmethyl ketone, thiophene-2-carboxaldehyde and methyl-2-thienyl ketone with semicarbazide and thiosemicarbazide have been prepared and characterized by analytical, i.r., electronic, e.s.r. and c.v. spectral data. The electronic spectral d–d band position varies from 744–415nm in pyridine and 872–371nm in DMF. E.s.r. g values lie between 2.1439 and 2.3149 at LNT. All complexes undergo quasi-reversible one-electron electrochemical reduction (Cu^III/Cu^II) in the 0.42–0.52V potential range. The electron transfer is much faster in thiosemicarbazone complexes compared to semicarbazone complexes. All these copper(II) complexes showed increased nuclease activity in presence of oxidant.     

Topological estimator of block entanglement for Heisenberg antiferromagnets

We introduce a computable estimator of block entanglement entropy for many-body spin systems admitting total singlet ground states. Building on a simple geometrical interpretation of entanglement entropy of the so-called valence bond states, this estimator is defined as the average number of common singlets to two subsystems of spins. We show that our estimator possesses the characteristic scaling properties of the block entanglement entropy in critical and noncritical one-dimensional Heisenberg systems. We invoke this new measure to examine entanglement scaling in the two-dimensional Heisenberg model on a square lattice revealing an "area law" for the gapped phase and a logarithmic correction to this law in the gapless phase.     

Stabilized parametric cooper-pair pumping in a linear array of coupled Josephson junctions

We present an experimentally realizable stabilized charge pumping scheme in a linear array of Cooper-pair boxes. The system design intrinsically protects the pumping mechanism from severe errors, especially current reversal and spontaneous charge excitation. The quantum Zeno effect is implemented to further diminish pumping errors. The characteristics of this scheme are considered from the perspective of improving the current standard. Such an improvement bears relevance to the closure of the so-called measurement triangle (see [D. Averin, Nature (London) 434, 285 (2005)).     

Economic and exergoeconomic investigation of 660 MW coal-fired power plant

Journal of Thermal Analysis and Calorimetry - Photocatalytically active titania thin films and powders were prepared via sol–gel route from TiCl4 precursor. Organic polymer hydroxypropyl...     

Rotational-echo double-resonance NMR distance measurements for the tubulin-bound Paclitaxel conformation

The important anticancer drug Taxol (paclitaxel, PTX) owes its unique activity to its ability to bind to tubulin in a stoichiometric ratio and promote its assembly into microtubules. The conformation of the microtubule-bound drug has been the focus of numerous research efforts, since the inability of polymerized tubulin to form crystals precludes structure proof by X-ray crystallography. Likewise, although the alpha,beta-tubulin dimer structure has been solved by electron crystallography, the 3.7 A resolution is too low to permit direct determination of either ligand conformation or binding pose. In this article, we present experimental results from 2H{19F} REDOR NMR that provide direct confirmation that paclitaxel adopts a T-shaped conformation when it is bound to tubulin.     

Asymmetric synthesis of tertiary and quaternary allyl- and crotylsilanes via the borylation of lithiated carbamates

Tertiary allyl- or crotylsilanes have been prepared in high er and dr via the lithiation-borylation reaction of alkyl carbamates with silaboronates. Using a related strategy, quaternary allylsilanes could be accessed in similarly high er.     

Glycoside bond formation via acid-base catalysis

Acid-base catalyzed glycosyl donor and then glycosyl acceptor activation with phenylboron difluoride or diphenylboron fluoride permits hydrogen bond mediated intramolecular S(N)2-type glycosidation in generally high anomeric selectivity.