Comparison between different duals in multiobjective fractional programming

The present paper is a continuation of [2] where we deal with the duality for a multiobjective fractional optimization problem. The basic idea in [2] consists in attaching an intermediate multiobjective convex optimization problem to the primal fractional problem, using an approach due to Dinkelbach ([6]), for which we construct then a dual problem expressed in terms of the conjugates of the functions involved. The weak, strong and converse duality statements for the intermediate problems allow us to give dual characterizations for the efficient solutions of the initial fractional problem. The aim of this paper is to compare the intermediate dual problem with other similar dual problems known from the literature. We completely establish the inclusion relations between the image sets of the duals as well as between the sets of maximal elements of the image sets.      

Polymers of carbonic acid 32: Influence of catalysts on propagation and cyclization in the interfacial polycondensation of bisphenol A with diphosgene

Bisphenol A was polycondensed with diphosgene in a dichloromethane/aqueous NaOH system. Temperature, time, and molar ratios of the reactants were optimized according to a previously elaborated optimization of the hydrolytic polycondensation of bisphenol A bischloroformate. Five of the following catalysts were examined: triethylamine, 4‐(N,N‐dimethylamino)pyridine (DMAP), ethyldiisopropylamine (EDPA), tetrabutylammonium hydrogen sulfate, and triethylbenzylammonium chloride (TEBA‐Cl). Triethylamine and DMAP accelerated the hydrolysis of diphosgene by formation of a hydrophilic acylammonium salt. Therefore, the molecular weights decreased with higher concentration of these tert‐amines. However, the molecular weights increased (weight‐average molecular weight up to 10⁶) with higher concentrations of tetraalkylammonium salts because these catalysts favor chain growth in the organic phase via “naked” phenoxide ions without catalyzing the hydrolysis of diphosgene. EDPA gave poor results under all circumstances. Cyclic polycarbonates were discovered in all samples. Their fraction increased with the average molecular weight of the samples. When samples prepared with triethylamine or TEBA‐Cl were fractionated, cycles having molar masses up to 15,000 Da were detected by matrix‐assisted laser desorption/ionization time‐of‐flight mass spectroscopy. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 890–904, 2003     

Determination of Soot Particle Size in a Premixed Flame: a Static and Dynamic Light Scattering Study

In this contribution we report upon our static and dynamic light scattering experiments to characterize soot particles in flames. We studied sooting laminar premixed flame with acetylene as fuel mixed with air as oxidizer. The air equivalence ratio of the combustion was larger than one. We used a Kaskan type burner with circular geometry and a stabilizing flow of nitrogen around the flame. We focused on the determination of the size of the soot particles in the center of the flame as a function of height above burner. In addition we investigated the influence of the mixing ratio of the gases on the size of the particles. Our results show that static light scattering is better suited than dynamic light scattering for a fast and reliable characterization of soot particles in flames. The latter needs detailed a priori information about the flame to allow the unique determination of sizes from the diffusion measurements. The soot particles grow monotonously with height above burner and with decreasing air equivalence ratio. The aggregates have a fractal dimension lower than two.     

Spectral functions at small energies and the electrical conductivity in hot quenched lattice QCD

In lattice QCD, the maximum entropy method can be used to reconstruct spectral functions from Euclidean correlators obtained in numerical simulations. We show that at finite temperature the most commonly used algorithm, employing Bryan's method, is inherently unstable at small energies and gives a modification that avoids this. We demonstrate this approach using the vector current-current correlator obtained in quenched QCD at finite temperature. Our first results indicate a small electrical conductivity above the deconfinement transition.     

Dynamics of spin-1/2 quantum plasmas

The fully nonlinear governing equations for spin-1/2 quantum plasmas are presented. Starting from the Pauli equation, the relevant plasma equations are derived, and it is shown that nontrivial quantum spin couplings arise, enabling studies of the combined collective and spin dynamics. The linear response of the quantum plasma in an electron-ion system is obtained and analyzed. Applications of the theory to solid state and astrophysical systems as well as dusty plasmas are pointed out.     

A Synthetic Adenylation‐Domain‐Based tRNA‐Aminoacylation Catalyst

The incorporation of non‐proteinogenic amino acids represents a major challenge for the creation of functionalized proteins. The ribosomal pathway is limited to the 20–22 proteinogenic amino acids while nonribosomal peptide synthetases (NRPSs) are able to select from hundreds of different monomers. Introduced herein is a fusion‐protein‐based design for synthetic tRNA‐aminoacylation catalysts based on combining NRPS adenylation domains and a small eukaryotic tRNA‐binding domain (Arc1p‐C). Using rational design, guided by structural insights and molecular modeling, the adenylation domain PheA was fused with Arc1p‐C using flexible linkers and achieved tRNA‐aminoacylation with both proteinogenic and non‐proteinogenic amino acids. The resulting aminoacyl‐tRNAs were functionally validated and the catalysts showed broad substrate specificity towards the acceptor tRNA. Our strategy shows how functional tRNA‐aminoacylation catalysts can be created for bridging the ribosomal and nonribosomal worlds. This opens up new avenues for the aminoacylation of tRNAs with functional non‐proteinogenic amino acids.     

Molden 2.0: quantum chemistry meets proteins

Since the first distribution of Molden in 1995 and the publication of the first article about this software in 2000 work on Molden has continued relentlessly. A few of the many improved or fully novel features such as improved and broadened support for quantum chemistry calculations, preparation of ligands for use in drug design related softwares, and working with proteins for the purpose of ligand docking.     

Effect of ionic liquid on dielectric, mechanical and dynamic mechanical properties of multi-walled carbon nanotubes/polychloroprene rubber composites

This paper focuses on the influence of ionic liquid on carbon nanotube based elastomeric composites. Multi-walled carbon nanotubes (MWCNTs) are modified using an ionic liquid at room temperature, 1-butyl 3-methyl imidazolium bis (trifluoromethylsulphonyl) imide (BMI) and modified MWCNTs exhibit physical (cation–π/π–π) interaction with BMI. The polychloroprene rubber (CR) composites are prepared using unmodified and BMI modified MWCNTs. The presence of BMI not only increases the alternating current (AC) electrical conductivity and polarisability of the composites but also improves the state of dispersion of the tubes as observed from dielectric spectroscopy and transmission electron microscopy respectively. In addition to the hydrodynamic reinforcement, the formation of improved filler–filler networks is reflected in the dynamic storage modulus (E′) for modified MWCNTs/CR composites in amplitude sweep measurement upon increasing the proportion of BMI. Hardness and mechanical properties are also studied for the composites as a function of BMI.     

Experimental investigation of the difference in B-term dominated band broadening between fully porous and porous-shell particles for liquid chromatography using the Effective Medium Theory

The difference in B-term diffusion between fully porous and porous-shell particles is investigated using the physically sound diffusion equations originating from the Effective Medium Theory (EMT). Experimental data of the B-term diffusion obtained via peak parking measurements on six different commercial particle types have been analyzed (3 porous and 3 non porous). All particles were investigated using the same experimental design and test analytes, over a very broad range of retention factor values. First, the B-term reducing effect of the solid core (inducing an additional obstruction compared to fully porous particles) has been quantified using the Hashin-Shtrikman expression, showing that the presence of a solid core can account for a reduction of about 11% when the core diameter makes up 63% of the total particle diameter (Halo and Poroshell-particles) and a reduction of 16% when the core diameter makes up 73% (Kinetex). Remaining differences can be attributed to differences in the microscopic structure of the meso-porous material (meso-pore diameter, internal porosity or relative void volume). The much lower B-term diffusion of Halo and Kinetex particles compared to the fully porous Acquity particles (some 20-40% difference, of which about 10-15% can be attributed to the presence of the solid core) can hence largely be attributed to the much smaller internal porosity and the smaller pore size of the meso-porous material making up the shell of these particles.