Photochemistry of trifluromethyl substituted 1‐methylpyrazoles

Trifluromethyl substitution on the pyrazole ring was found to enhance photoreactivity via the P₄ pathway which involves interchange of the N2‐C3 ring atoms. Thus, 1‐methyl‐3‐(trifluromethyl)pyrazole (1) and 1‐methyl‐5‐(trifluromethyl)pyrazole (3) transposed with a P₄/P₆ or P₄/P₆+P₇ ratio of 2.1:1. 1‐methyl‐4‐(trifluromethyl)pyrazole (2) transposed regiospecifically by the P₄ transposition pathway. Compounds 2 and 3 were also observed to undergo photocleavage to yield enaminonitrile and enaminoisocyanide products.     

Working group report: Quantum chromodynamics

This is the report of the subgroup QCD of Working Group-4 at WHEPP-9. We present the activities that had taken place in the subgroup and report some of the partial results arrived at following the discussion at the working group meetings.     

The Statistical Mechanics of Semiflexible Equilibrium Polymers

We give an overview of studies of models for semiflexible, equilibrium polymers with special emphasis on our work on both lattice and continuum models for such systems. We show, principally by Monte Carlo simulations, that, once monomers self assemble to form polymers, their semiflexibility leads to nematic phases at low temperatures. Attractive wall potentials encourage the adsorption of these equilibrium polymers on surfaces. Rapid cooling leads to the formation of glasses with entangled polymers. Shear promotes nematic ordering, but, at high shear rates, this tendency decreases since the equilibrium polymers are torn apart. A version of our model in which the polymers are directed shows the polymer analog of bosonic Mott-insulating, mass-density-wave, and supersolid phases. We give a brief comparison of our work with other studies and also explore the experimental implications of our study.     

Quark mass corrections to the perturbative thrust and its effect on the determination of αs

We consider the effects of quark masses to the perturbative thrust in e ⁺ e ⁻ annihilation. In particular we show that perturbative power corrections resulting from non-zero quark masses considerably alters the size of the non-perturbative power corrections and consequently, significantly changes the fitted value of α_s.     

Capacity augmentation of a supply chain for a short lifecycle product: A system dynamics framework

For an innovative product characterized by short product lifecycle and high demand uncertainty, investment in capacity buildup has to be done cautiously. Otherwise either the product’s market diffusion is impeded or the manufacturer is left with unutilized capacity. Using the right information for making capacity augmentation decisions is critical in facing this challenge. In this paper, we propose a method for identifying critical information flows using the system dynamics model of a two-echelon supply chain. The fundamental premise of system dynamics methodology is that (system) structure determines (its) behavior. Using loop dominance analysis method we study the feedback loop structure of the supply chain system. The outcome is a set of dominant loops that determine the dynamics of capacity growth. It is revealed that the delivery delay information has little effect while the loop that connects retail sales with production order affects the dynamics significantly. Modifying this loop yields appropriate capacity augmentation decisions resulting in higher performance. What-if analyses bring out effects of modifying other structural elements. In conclusion, we claim that the information feedback based methodology is general enough to be useful in designing decision support systems for capacity augmentation. The limitations of the model are also discussed and possible extensions identified.     

On solving energy-dependent partitioned eigenvalue problem by genetic algorithm: The case of real symmetric Hamiltonian matrices

An energy-dependent partitioning scheme is explored for extracting a small number of eigenvalues of a real symmetric matrix with the help of genetic algorithm. The proposed method is tested with matrices of different sizes (30 × 30 to 1000 × 1000). Comparison is made with Löwdin’s strategy for solving the problem. The relative advantages and disadvantages of the GA-based method are analyzed     

Working group report: Neutrino and astroparticle physics

This is the report of neutrino and astroparticle physics working group at WHEPP-7. Discussions and work on CP violation in long baseline neutrino experiments, ultra high energy neutrinos, supernova neutrinos and water Cerenkov detectors are discussed.     

Reaction of β-amino-α,β-unsaturated esters and amides with aryl diazonium salts : Synthesis of cinnoline derivatives

Conjugated esters and amides react with aryldiazonium salts at room temperature (MeCN) to form the corresponding iminium hydrazone derivatives, which can be thermally cyclized to cinnoline-3-esters and cinnoline-3-amides. In general the intermediate iminium salts derived from the enamine amides cyclize faster than those from the enamine esters. Furthermore, the ease of cyclization depends upon the structure of the base-component of the enamine ester or the amide and the substituent in the aryl moiety of the diazonium salt. The configurational structure of the iminium hydrazones, studied by NMR spectroscopy, has been shown to involve H-bonding of the hydrazonyl N-H with the ester or the amide CO group.     

Highly rapid and direct synthesis of monoacylated piperazine derivatives from carboxylic acids under mild conditions

A series of monoacylated piperazine derivatives were obtained by the reaction of carboxylic acids with 2-chloro-4,6-dimethoxy-1,3,5-triazine in dichloromethane at room temperature. Good to excellent yields, short reaction times and mild reaction conditions are important features of this methodology.     

A facile two synthon approach to the camptothecin skeleton

A synthesis of deethyldesoxycamptothecin via the reaction of two readily accessible synthons is described. One of the synthons constitutes the ABC ring system of camptothecin, while the second provides all the C atoms of the rings D and E. The synthetic approach is suited for the total synthesis of camptothecin analogues.