276-nm absorption band system of m-dichlorobenzene: Rotational band contour analysis

The 276-nm absorption band system (${}^1\text{B}{}_2\text{←}{}^1\text{A}{}_1$) of m-dichlorobenzene was photographed under high resolution. The electronic origin band (0, 0) and a band at (0 + 380) cm^?1 were subjected to rotational “band contour” analysis. As a result, it is found that the origin band has a type A band contour and that at (0 + 380) cm^?1 exhibits a type B band contour. The band contour analysis also yields an accurate determination of the excited state parameters, viz., A′ = 0.0911 ± 0.0003, B′ = 0.02852 ± 0.00005, and C′ = 0.02175 ± 0.00001 cm^?1. A model geometry for the molecule m-DCB in its first excited singlet state has been proposed.     

A Heuristic Procedure for Leasing Channels in Telecommunications Networks

Rapid advances in computing and communications technology have made distributed computing an attractive alternative for geographically dispersed organizations. A telecommunication sub-network forms the backbone of these distributed systems. In general, this paper focuses on the assignment of communication channel capacities in the presence of time variant usage patterns. Specifically, we concentrate on long-range capacity planning for organizations that construct networks by leasing communication channels from telecommunication companies. We formulate the capacity assignment problem as a 0-1 integer program that seeks to minimize total leasing cost subject to communication delay restrictions. Unlike previous models that include a single-system wide-average delay constraint, our model allows the flexibility of specifying delay restrictions by communicating node pairs. We propose an efficient heuristic, and a Lagrangian relaxation based procedure to obtain performance guarantees on the solution obtained from the heuristic.     

Strong Self-Similar Fluctuations of Target Fragments in Ring-like Events in Ultra-Relativistic Nuclear Collision

The intermittent fluctuation of target evaporated particles is studied in both ring-like and jet-like events emitted in ^32 S-emulsion interactions at 200 A Ge V within the framework of multi-dimensional factorial moment methodology using the concept of the Hurst exponent. It is observed that the intermittent fluctuation in the ring-like event is self-similar, whereas in the jet-like event fluctuation is self-affine. However, study indicates that the strength of fluctuation in the ring-like events is much stronger than that in the jet-like events.     

Real time HR-MAS NMR: application in reaction optimization, mechanism elucidation and kinetic analysis for heterogeneous reagent catalyzed small molecule chemistry

A novel application of in situ (1)H high-resolution magic angle spinning (HR-MAS) NMR technique for real-time monitoring of H(2)SO(4)-silica promoted formation of 2, 2-disubstituted quinozolin-4(3H)-ones is reported. The detailed NMR spectroscopic data led to elucidation of the mechanism, reaction optimization, kinetics and quantitative analysis of the product accurately and efficiently. The translation of the optimized parameters obtained by (1)H HR-MAS NMR in the wet laboratory provided similar results. It is proposed that (1)H HR-MAS has a potential utility for optimization of various organic transformations in solid supported catalyzed reactions.     

Development of fluorescent aryltryptophans by Pd mediated cross-coupling of unprotected halotryptophans in water

A convenient and high yielding procedure for the Suzuki-Miyaura cross-coupling of unprotected bromo- and chlorotryptophans in water provides fluorescent aryltryptophans.     

Use of fluorescence probes for studying Kamlet-Taft solvatochromic parameters of micellar system formed by binary mixture of sodium dodecyl sulfate and Triton-X 100

Fluorescence probes have been used to estimate Kamlet-Taft solvatochromic parameters alpha and pi* representing hydrogen-bond donation ability and dipolarity/polarizability, respectively, of sodium dodecyl sulfate (SDS)-Triton X 100 (TX100) mixed aggregates with varying compositions. The hydrogen-bond donation ability of the mixed aggregate has been found to increase with SDS composition, whereas the dipolarity/polarizability parameter decreases. The relative contribution of electrostatic and steric effect toward the total free energy of micellization have been calculated for the mixture. The solvatochromic parameters alpha and pi* depend linearly on the total free energy of micellization, indicating a correlation between aggregational and solvatochromic properties.     

Modelling of chemical fractionation patterns of metals in soils by two-way and three-way principal component analysis

The ‘pseudo-total’ contents and the chemical fractionation pattern of eight toxic elements (As, Cd, Co, Cu, Cr, Ni, Pb and Zn) have been determined in 12 soil samples collected around a coal-fuelled power plant (Velilla del Río Carrión, Spain) by using, respectively, the US-EPA 3051 norm and the modified BCR (SM&T) chemical fractionation procedure. The ‘pseudo-total’ dataset has been analyzed by classical two-way principal component analysis (PCA) finding a PC accounting for the metal ‘pollution’ of the area. On the other hand, the three-dimensional (samples × metals × fractions) X array obtained after application of the modified BCR SM&T procedure, has been studied by matrix augmentation (MA-PCA) and three-way principal component analysis (3-PCA) using PARAFAC and TUCKER3 models. Whereas both MA-PCA and PARAFAC originated two-factor models biased towards the different chemical fractionation of the samples, the best TUCKER3 model [1, 2, 2] takes into account simultaneously both the ‘pseudo-total’ contents and the chemical fractionation of the soil samples. Therefore, the TUCKER3 originated a better representation of the global environmental impact caused by the power plant, and the plotting of the soil samples loadings, A1, in the physical space allowed to locate the most potentially hazardous areas.