A combined approach for evaluating papers, authors and scientific journals

An integrated model for ranking scientific publications together with authors and journals recently presented in [Bini, Del Corso, Romani, ETNA 2008] is closely analyzed. The model, which relies on certain adjacency matrices H,K and F obtained from the relations of citation, authorship and publication, provides the ranking by means of the Perron vector of a stochastic matrix obtained by combining H,K and F. Some perturbation theorems concerning the Perron vector previously introduced by the authors are extended to more general cases and a counterexample to a property previously addressed by the authors is presented. The theoretical results confirm the consistency and effectiveness of our model. Some paradigmatic examples are reported together with some results obtained on a real set of data.     

Synthesis of new fluorous modular chiral ligand derivatives from amino alcohols and application in enantioselective carbon–carbon bond-forming alkylation reactions

N-Trifluoracyl β-chalcogeno amides and N-perfluoracyl β-thio amide ligands were prepared by a simple and efficient reaction sequence. These new ligands were evaluated in palladium-catalyzed alkylation of rac-(E)-1,3-diphenyl-2-propenyl acetate in the presence of dimethyl malonate and an enantioselectivity of up to 99% was obtained. After catalysis, the fluorous ligand can be easily recovered by liquid–liquid extraction and reused without loss in the activity.     

Effect of a cocatalyst modifier in the synthesis of ultrahigh molecular weight polyethylene having reduced number of entanglements

The use of a hindered phenol to trap free trimethylaluminum (TMA) in methylaluminoxane (MAO) solutions has been reported to improve the performance of single‐site, homogeneous catalysts for olefin polymerization. In the present study, with the help of rheological analyses, we have investigated and compared the molecular weight, molecular weight distribution and entanglement density of ultrahigh molecular weight polyethylene synthesized with a single‐site catalyst activated by MAO and phenol‐modified MAO. While the number average molecular weight (M_n) of the obtained polymers remains the same for both activations, a higher yield and a higher entanglement density are found in the initial stages of polymerization on using phenol‐modified MAO as the cocatalyst. These results suggest that on using the phenol‐modified MAO as activator, a higher number of active sites are obtained. Surprisingly in the presence of untreated MAO, a tail in the higher molecular mass region is produced. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013     

Synthesis of azido arylselenides and azido aryldiselenides: a new class of selenium-nitrogen compounds

We present here our results of the efficient synthesis of azido arylselenides and azido aryldiselenides under mild conditions. Starting from nitrogen-substituted benzenes, we incorporated selenium atom at aromatic ring and obtained amino arylselenides and diselenides in satisfactory yields. Treatment of these compounds with iso-pentyl nitrite (i-C₅H₁₁ONO) and azido trimethylsilane (Me₃SiN₃) in THF affords a variety of azido arylselenides and diselenides in good to excellent yields.     

On classical electrodynamics of point particles and mass renormalization: Some preliminary results

Apparently, no rigorous results exist for the dynamics of a classical point particle interacting with the electromagnetic field, as described by the standard Maxwell-Lorentz equations. Some results are given here for the corresponding linearized system (dipole approximation) in the presence of a mechanical linear restoring force. We consider a regularization of the system (Pauli-Fierz model), and explicitly solve the Cauchy problem in terms of normal modes. Then we study the limit of the particle's motion as the regularization is removed. We prove that the particle's motion corresponding to smooth initial data for the field has a well-defined limit if mass is renormalized, while the motion is trivial (i.e. the particle does not move at all) if mass is not renormalized. Moreover, the limit particle's motion corresponding to an interesting class of initial data satifies exactly the Abraham-Lorentz-Dirac equation. Finally, for generic initial data the limit motion is runaway.     

A new family of heavy transition metal coordination compounds and its application,I. Design,synthesis and characterization of volatile organohafnium precursors

The first three representatives of a new family of volatile organohafnium compounds suitable as metallo-organic chemical vapour deposition precursors were synthesized. A combination of cyclopentadienyl and alkoxo-ligands with a bicyclo[2.2.1]heptanc framework was used. Volatility at relatively low temperatures for hafnium compounds was found and the precursors were characterized by elemental analysis and spectroscopic methods (IR, ¹H and ¹³C NMR, mass spectrometry and mass-analysed ion kinetic energy spectroscopy). The outlook for use in hafnium functional materials synthesis was derived from the fragmentation data.     

A branch and bound algorithm for scheduling trains in a railway network

The paper studies a train scheduling problem faced by railway infrastructure managers during real-time traffic control. When train operations are perturbed, a new conflict-free timetable of feasible arrival and departure times needs to be re-computed, such that the deviation from the original one is minimized. The problem can be viewed as a huge job shop scheduling problem with no-store constraints. We make use of a careful estimation of time separation among trains, and model the scheduling problem with an alternative graph formulation. We develop a branch and bound algorithm which includes implication rules enabling to speed up the computation. An experimental study, based on a bottleneck area of the Dutch rail network, shows that a truncated version of the algorithm provides proven optimal or near optimal solutions within short time limits.     

Correlation effects in the electronic coupling between π electrons through a cyclohexane spacer

The electronic coupling between symmetrically placed π electrons through a cyclohexane spacer is calculated using ab initio methods. In particular we have performed a multiconfigurational configuration interaction study involving the broken symmetry Hartree—Fock solutions. The value of Δ, in a simplified model the splitting between the symmetric and antisymmetric π orbitals, is moderately changed compared to the Koopmans theorem value. The influence of the basis set on the calculated splittings is also analyzed.