Landauer formula for phonon heat conduction: relation between energy transmittance and transmission coefficient

A Fibonacci chain is composed of oscillators with two different masses and its total (even) number of oscillators N is associated with Fibonacci numbers. The momentum autocorrelation function of a specific oscillator in the chain is shown to be combination of 1?+?(N/2) cosines, their frequencies and amplitudes are calculated numerically for N????40. The momentum autocorrelation functions are illustrated for Fibonacci chains with N up to 176.     

One pot glucose detection by [Fe(III)(biuret-amide)] immobilized on mesoporous silica nanoparticles: an efficient HRP mimic

An [Fe(III)(biuret-amide)] complex has been immobilized onto mesoporous silica nanoparticles via Cu(I) catalyzed azide-alkyne click chemistry. This hybrid material functions as an efficient peroxidase mimic and was successfully used for the quantitative determination of hydrogen peroxide and glucose via a one-pot colorimetric assay.     

NHC-catalysed diastereoselective synthesis of multifunctionalised piperidines via cascade reaction of enals with azalactones

NHC-catalysed azalactone ring-opening and piperidine ring-closing cascade with α,β-unsaturated aldehydes (enals) in a one-pot operation is reported. The present reaction cascade offers a convenient method for a highly diastereoselective synthesis of multifunctionalised piperidines in excellent yields under mild conditions.     

Electron beam irradiation induced changes in the dielectric and electro-optical properties of a room temperature nematic display material 4-(trans-4′-n-hexylcyclohexyl) isothiocyanatobenzoate (6CHBT)

Dielectric and electro-optical studies of a pure and electron beam irradiated liquid crystalline compound 4-(trans-4′-n-hexylcyclohexyl) isothiocyanatobenzoate have been carried out. Dielectric anisotropy, relaxation frequency, activation energy and distribution parameter of an observed non-collective mode corresponding to the molecular rotation about the short axes have been determined as a function of temperature and irradiation dose whereas threshold and switching voltages, splay elastic constant are determined as a function of irradiation dose. The relaxation frequencies initially decrease up to an irradiation dose of 40 kGy but thereafter increase due to irradiation. The activation energies are increased up to irradiation dose of 40 kGy but around 60 kGy dose of irradiation, we found decrease in the activation energy. Electro-optical measurements show the lowering of the threshold voltage with sufficient improvement in the steepness of the transmission voltage curves due to irradiation. The observed changes in the dielectric and electro-optical properties are related with the cis–trans isomerization due to electron beam irradiation.     

Arsenic(III) sorption on nanostructured cerium incorporated manganese oxide (NCMO): a physical insight into the mechanistic pathway

Arsenic(III) sorption was investigated with nanostructured cerium incorporated manganese oxide (NCMO). The pH between 6.0 and 8.0 was optimized for the arsenic(III) sorption. Kinetics and equilibrium data (pH=7.0±0.2, T=303±1.6 K, and I=0.01 M) of arsenic(III) sorption by NCMO described, respectively, the pseudo-second order and the Freundlich isotherm equations well. The sorption process was somewhat complicated in nature and divided into two different segments, initially very fast sorption followed by slow intraparticle diffusion process. Sorption reaction of arsenic(III) on NCMO was endothermic (ΔH°=+13.46 kJ mol(-1)) and spontaneous (ΔG°=-24.75 to -30.15 kJ mol(-1) at T=283-323 K), which took place with increasing entropy (ΔS°=+0.14 kJ mol(-1)K(-1)) at solid-liquid interface. Energy of arsenic(III) sorption estimated by analyzing the equilibrium data using the D-R isotherm model was 15.4 kJ mol(-1), indicating the ion-exchange type mechanism. Raman, FT-IR, pH effect, desorption, etc. studies indicated that arsenic(III) was oxidized to arsenic(V) during the sorption process.     

The effect of the finite size of ions and Debye layer overspill on the screened Coulomb interactions between charged flat plates

Screened repulsion between uniformly charged plates with an intervening electrolyte is analyzed for strongly overlapped electrical double layers (EDL), accounting for the steric effect of ions and their expulsion from EDL edges into the surrounding solution. As a generalization of a study by Philipse et al. which does not account for these effects, an analytical expression is derived for the repulsion pressure in the limit of infinitely long plates with a zero-field assumption, which agrees closely with the corresponding numerical solution at low inter-plate separations. Our results show an augmented repulsive pressure for finite-sized ions at strong EDL overlaps. For plates with a finite lateral size, we demonstrate a further extended domain of low inter-plate gaps where the repulsion pressure increases with ion size due to a strong interplay between the steric interaction of ions and the EDL overspill phenomenon, considered earlier in a study by Ghosal & Sherwood limited to the linear Debye-Hückel regime (which cannot account for the steric effect of ions). This investigation on a simple model should enhance our understanding of the interaction between charged particles in electrophoresis, nanoscale self-assembly, active particles, and various other electrokinetic systems.     

Heat Transport in Harmonic Lattices

We work out the non-equilibrium steady state properties of a harmonic lattice which is connected to heat reservoirs at different temperatures. The heat reservoirs are themselves modeled as harmonic systems. Our approach is to write quantum Langevin equations for the system and solve these to obtain steady state properties such as currents and other second moments involving the position and momentum operators. The resulting expressions will be seen to be similar in form to results obtained for electronic transport using the non-equilibrium Green’s function formalism. As an application of the formalism we discuss heat conduction in a harmonic chain connected to self-consistent reservoirs. We obtain a temperature dependent thermal conductivity which, in the high-temperature classical limit, reproduces the exact result on this model obtained recently by Bonetto, Lebowitz and Lukkarinen.     

Visible light-induced nuclease activity of a ternary mono-phenanthroline copper(II) complex containing L-methionine as a photosensitizer

Ternary copper(II) complex, structurally characterized as [Cu(phen)(met)(MeOH)](ClO4) (1) by X-ray crystallography, has 1,10-phenanthroline (phen) as an intercalator/binder to supercoiled pUC19 DNA and L-methionine (met) as a photosensitizer, and the complex displays efficient photonuclease activity on irradiation with UV (312 nm) or visible (436, 532 nm) light through a mechanistic pathway involving singlet oxygen.     

Bis(dipyridophenazine)copper(II) complex as major groove directing synthetic hydrolase

The copper(II) complex [Cu(dppz)(2)Cl]Cl () has been prepared, structurally characterized and its DNA binding and cleavage properties studied (dppz, dipyridophenazine). Crystal structure of 1xdppzxH(2)O shows the presence of the monocationic copper(II) complex containing two dppz ligands and one chloride in the five coordinate structure. While one bidentate chelating dppz ligand occupies the basal plane, the other dppz ligand shows an axial/equatorial mode of bonding. The chloride ligand binds at the basal plane. The complex crystallizes with dppz and water as lattice molecules. The dppz moieties in the metal-bound and free forms are involved in pi-pi stacking interactions. The one-electron paramagnetic complex shows a visible spectral d-d band at 707 nm in DMF and displays quasireversible cyclic voltammetric response for the Cu(II)/Cu(I) couple near 0.1 V vs. SCE in DMF-0.1 M TBAP. The complex which is an avid binder to calf thymus DNA giving a binding constant (K(b)) value of 2.0 x 10(4) M(-1) in DMF-Tris buffer, cleaves supercoiled pUC19 DNA in an oxidative manner in the presence of mercaptopropionic acid (MPA) as a reducing agent or on photo irradiation at 312 nm. Control experiments show major groove binding and DNA cleavage via the formation of hydroxyl radical in the presence of MPA and by singlet oxygen in the photocleavage reaction. The complex exhibits significant hydrolytic cleavage of DNA in the dark in the absence of any additives at a rate of approximately 3.0 h(-1). The hydrolytic nature of the DNA cleavage is evidenced from the T4 ligase experiments converting the nicked circular form to its original supercoiled form quantitatively. Complex presents a rare example of copper-based major groove directing efficient synthetic hydrolase.     

Structure of phaseolinone,a novel phytotoxin from macrophomina phaseolina

Structure of phaseolinone, a phytotoxin isolated from the fungus $\text{Macrophima phaseolina}$ (Tassi) Gold, has been established as $\text{1}$.