Conditional Lagrange derivative and its application

Our paper aims to show what to do in material modeling for an inelastic body. The method we use is based on the virtual work σ ′δε and on the variation of some function W with respect to the strain tensor. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Synthesis and Properties of 3-Cynnamoyl-4-hydroxy-2-quinolone

Condensation of 3-acetyl-4-hydroxy-2-quinolone with aromatic aldehydes gave substituted 3-cynnamoyl-4-hydroxy-2-quinolones that luminesce in the solid state in the visible spectral range.     

Hamiltonian chains in hypergraphs

A cyclic ordering of the vertices of a k‐uniform hypergraph is called a hamiltonian chain if any k consecutive vertices in the ordering form an edge. For k = 2 this is the same as a hamiltonian cycle. We consider several natural questions about the new notion. The main result is a Dirac‐type theorem that provides a sufficient condition for finding hamiltonian chains in k‐uniform hypergraphs with large (k − 1)‐minimal degree. If it is more than than the hypergraph contains a hamiltonian chain. © 1999 Wiley & Sons, Inc. J Graph Theory 30: 205–212, 1999     

Efficient Synthesis of a Novel Estrone- Talaromycin Hybrid Natural Product

Numerous pharmacologically interesting compounds are available by the synthesis of hybrid natural products. Thus, for instance, the estrone–talaromycin hybrid 2 , which is synthesized in a few steps from the estrone derivative 1 by a sequence in which a hetero-Diels–Alder reaction is the key step, exhibits notable cytotoxic activity.     

Equilibrium Swelling of an Epoxy‐Resin in Contact with Water – A Molecular Dynamics Simulation Study

Full Paper: We have studied the equilibrium swelling of an idealized model network based on a realistic epoxy‐resin in contact with water using the molecular dynamics simulation method. We use a novel method to measure the water chemical potential inside the network as function of water concentration. The equality of the water chemical potential computed in this fashion with the bulk water chemical potential under the same thermodynamic conditions determines the equilibrium water content and the swelling ratio. We study the dependence of the water content as function of temperature and as function of the size of the atomic partial charges.

Schematic representation of the simulation volume. Spheres represent epoxy units with n = 0. The dashed lines represent curing agent units with m = 5.     

Approaching the Kinetic Inertness of Macrocyclic Gadolinium(III)‐Based MRI Contrast Agents with Highly Rigid Open‐Chain Derivatives

A highly rigid open‐chain octadentate ligand (H₄cddadpa) containing a diaminocylohexane unit to replace the ethylenediamine bridge of 6,6′‐[(ethane‐1,2 diylbis{(carboxymethyl)azanediyl})bis(methylene)]dipicolinic acid (H₄octapa) was synthesized. This structural modification improves the thermodynamic stability of the Gd³⁺ complex slightly (log K_GdL=20.68 vs. 20.23 for [Gd(octapa)]^?) while other MRI‐relevant parameters remain unaffected (one coordinated water molecule; relaxivity r₁=5.73 mm ^?1 s^?1 at 20 MHz and 295 K). Kinetic inertness is improved by the rigidifying effect of the diaminocylohexane unit in the ligand skeleton (half‐life of dissociation for physiological conditions is 6 orders of magnitude higher for [Gd(cddadpa)]^? (t_1/2=1.49×10⁵ h) than for [Gd(octapa)]^?. The kinetic inertness of this novel chelate is superior by 2–3 orders of magnitude compared to non‐macrocyclic MRI contrast agents approved for clinical use.