A new class of generalized Apostol–Bernoulli polynomials and some analogues of the Srivastava–Pintér addition theorem

The main purpose of this paper is to introduce and investigate a new class of generalized Apostol–Bernoulli polynomials based on a definition given by Natalini and Bernardini (2003) [22] for the generalized Bernoulli polynomials. We obtain a generalization of the Srivastava–Pintér addition theorem (Srivastava and Pintér (2004) [23]). We also give a list of expressions involving special functions that could be used to obtain some analogues of the Srivastava–Pintér addition theorem. Finally, we give an analogue featuring the new class of generalized Apostol–Bernoulli polynomials.     

Application of a simulation-based dynamic traffic assignment model

The evaluation of on-line intelligent transportation system (ITS) measures, such as adaptive route-guidance and traffic management systems, depends heavily on the use of faster than real time traffic simulation models. Off-line applications, such as the testing of ITS strategies and planning studies, are also best served by fast-running traffic models due to the repetitive or iterative nature of such investigations. This paper describes a simulation-based, iterative dynamic equilibrium traffic assignment model. The determination of time-dependent path flows is modeled as a master problem that is solved using the method of successive averages (MSA). The determination of path travel times for a given set of path flows is the network-loading sub-problem, which is solved using the space-time queuing approach of Mahut. This loading method has been shown to provide reasonably accurate results with very little computational effort. The model was applied to the Stockholm road network, which consists of 2100 links, 1191 nodes, 228 zones, representing and 4964 turns. The results show that this model is applicable to medium-size networks with a very reasonable computation time.     

Carbon-13 NMR spectra of Δ4(20).11- taxadiene derivatives

The ¹³C NMR spectra of a series of some Δ^4(20),11-taxadiene derivatives are reported. A detailed analysis of their assignments is presented.     

Carbon-13 nuclear magnetic resonance spectra of some heterocyclic D-homoandrostanes

The ¹³C chemical shift data of several D-homoandrostanes with heteroatoms (N,O) in the 17a-position are reported. Heteroatom effects on the shieldings of the carbons of rings C and D are discussed.     

Applications de la sonde moléculaire aux composites a teneur elevee en solides—I. Determination des temperatures de transition vitreuse et etude des phenomenes de surface

The molecular probe technique has been shown to be useful for measuring the glass transition temperature of a highly-filled composite, or of a polybutadiene prepolymer covering surfaces of varying types. The measured Tg of 193°K is independent of the curing stage as well as of the nature of functional groups. Transitions between 349 and 364°K were detected in a Fe₂O₃-containing composite, showing the general applicability of the technique. Studies of the slope of the curve relating the logarithm of the specific retention volume to the reciprocal of the absolute temperature can lead to useful information concerning the orientation of the polybutadiene prepolymer at the polymer-solid interface.     

Metal-metal interactions in dinuclear ruthenium complexes containing bridging 4,5-di(2-pyridyl)imidazolates and related ligands

The dinuclear bis(2,2'-bipyridine)ruthenium complex of 4,5-di(2-pyridyl)imidazolate has been prepared and separated into its (meso and rac) diastereoisomers. The 2-phenyl substituted analogue forms the meso isomer selectively. All three complexes have been characterised by 1H NMR and X-ray crystallography. Electrochemical measurements and spectroelectrochemistry of the mixed-valence states reveal strong metal-metal interactions and IVCT bands that are highly dependent on the electrolyte.     

A two model receptor system of the alpha1D adrenergic receptor to describe interactions with epinephrine and BMY7378

In this study, we have developed a two receptor model system to describe the R and R states of G-protein coupled receptors, specifically the alpha(1D) adrenergic receptor. The two models interact with agonist (epinephrine) and antagonist (BMY7378) differently. The active model has increased interactions with epinephrine. The inactive model has increased interactions with BMY7378. We also explored the protonation state of the ligands. When the most basic amine was protonated, we found increased hydrogen bonding and increased aromatic interactions. Protonated epinephrine hydrogen bonds with Asp176 and has aromatic residues Trp172, Trp235, Trp361, and Phe388 within 3 Angstroms. Protonated BMY7378 hydrogen bonds with Trp172 and Lys236 and has aromatic residues Trp172, Trp254, Phe364, Phe384, and Phe388 within 3 Angstroms. We conclude that the two model system is required to represent the two states of the receptor and that protonation of the ligand is also critical.     

Configurational analysis of cyclopropyl fatty acids isolated from Escherichia coli

[reaction: see text] The absolute configuration of methyl lactobacillate and its 9,10 homologue, both isolated from Escherichia coli B-ATCC 11303, was found to be 11R,12S and 9R,10S, respectively.     

Mott transition, antiferromagnetism, and d-wave superconductivity in two-dimensional organic conductors

We study the Mott transition, antiferromagnetism, and superconductivity in layered organic conductors using the cellular dynamical mean-field theory for the frustrated Hubbard model. A d-wave superconducting phase appears between an antiferromagnetic insulator and a metal for t'/t=0.3-0.7 or between a nonmagnetic Mott insulator (spin liquid) and a metal for t'/t>or=0.8, in agreement with experiments on layered organic conductors including kappa-(ET)2Cu2(CN)3. These phases are separated by a strong first-order transition. The phase diagram gives much insight into the mechanism for -wave superconductivity. Two predictions are made.