Asymptotic analysis of elastic curved rods

We consider a sequence of curved rods which consist of isotropic material and which are clamped on the lower base or on both bases. We study the asymptotic behaviour of the stress tensor and displacement under the assumptions of linearized elasticity when the cross‐sectional diameter of the rods tends to zero and the body force is given in the particular form. The analysis covers the case of a non‐smooth limit line of centroids. We show how the body force and the choice of the approximating curved rods can affect the strong convergence and the limit form of the stress tensor for the curved rods clamped on both bases. Copyright © 2006 John Wiley & Sons, Ltd.     

Influence of reactant structure on composition and stability of adducts of bis-macrocyclic complexes of copper(II) with aliphatic α,ω-diamines

On the basis of spectrophotometric measurements, constants have been determined for adduct formation between bis-macrocyclic complexes of copper(II) and aliphatic diamines. For these systems, the influence of reactant structure on the specific features of complexation has been established. L. V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of the Ukraine, 31 Nauka Prospect, Kiev 252039, Ukraine. Translated from Teoreticheskaya i éksperimental’naya Khimiya, Vol. 33, No. 2, pp. 83–87, March–April, 1997.     

Structure of 2,4-Dihydrobenzylidene- and 5-Bromo-2-hydroxybenzylidene(methyl)amine N-Oxides

2,4-Dihydroxybenzylidene(methyl)amine and 5-bromo-2-hydroxybenzylidene(methyl)amine N-oxides were synthesized by condensation of N-methylhydroxylamine with the corresponding aldehydes. Their crystal structures were solved by X-ray analysis.     

Effect of the coordination number of the nickel(II) ion on the kinetic characteristics of the oxidation of its macrocyclic complexes by peroxodisulfate ions

A study of the kinetics of the oxidation by peroxodisulfate of macrocyclic complexes of nickel(II) with a pH-regulatable position of the thermodynamic equilibrium between the tetra- and hexacoordinated forms showed that the square-planar form is substantially more reactive than the hexacoordinated form. The observed effect may be a consequence of different mechanisms of the redox processes: intraspheral in the first case and extraspheral in the second.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 28, Nos. 5–6, pp. 442–447, September–December, 1992.     

Design of New Water Receptors Based on Oligomeric Complexes of Copper(II) and Nickel(II)

The interaction of mono- and oligomacromolecular complexes of copper(II) and nickel(II) with water vapor has been studied on a piezoquartz microbalance. It has been established that the effectiveness of adsorption is determined by the nature of the metal ion to a larger extent than the quantity of macrocyclic ligand in the receptor molecule. Oligomacrocyclic complexes of copper(II) are shown to have prospects for use as active coverings of moisture meters working over a wide range of relative humidity.     

Electron interactions in crystalline dibenzotetraazaannulene

The characteristics of intra- and intermolecular electronic processes in crystalline dibenzotetraazaannulene were established based on an analysis of the electronic absorption spectra of thin films. It was shown that the specific spectral characteristics of this substance are due to its stack structure in the solid state.L V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, 252039 Kiev, Prosp. Nauki, 31. Translated from Teoreticheskaya i Eksperimental'naya Khimiya, Vol. 32, No. 1, pp. 20–23, January–February, 1996. Original article submitted May 19, 1995.     

Kinetics of the destruction of cyclic complexes of nickel(III) and their participation in oscillating chemical processes

A spectrophotometric method has been used to study in sulfuric acid solutions the chelate reduction of nickel(III) compounds Ni^IIIL, where L are l4-membered tetraazamacrocyclic ligands with a different number of substitutents (from 0 to 0) and double bonds (from U to 4). Based on the comparison of the kinetic characteristics of the redox reactions of the nickel complexes with data on the participation of such compounds in oscillating chemical reactions in the systems NiLBrO^– ₃-H₂SO₄ it was concluded that a necessary condition for the creation of OCR in this case is, besides the autocatalytic regime of the oxidation of the [NiL]²⁺ complex with bromate, the ability of nickel(III) to undergo rapid reduction (k > 10^–4 sec^–1) by the oxidation of the coordinated macrocyclic ligand.L. V. Pisarzhevskii Institute of Physical Chemistry, Academy of Sciences of Ukrainian SSR, Kiev. Translated from Teoretichesakaya i ÉksperimentaI'naya Khimiya, Vol. 27, No. l pp. 51–55, January–February, 1991. Original article submitted May 29, 1990.     

Special features of the solid-state dehydration/ hydration processes of a binuclear nickel(II) complex with an amide-containing polychelate ligand

It was found that a binuclear complex of nickel(II), unlike its mononuclear analog, undergoes reversible dehydration/hydration in the solid state accompanied by a change in color. The probable cause of this is breaking/formation of a specific network of hydrogen bonds in the crystal lattice of the binuclear compound.Translated from Teoreticheskaya i éksperimental'naya Khimiya, Vol. 31, No. 2, pp. 110–113, March–April, 1995.The authors are grateful to N. I. Yashin for carrying out the thermoanalytical measurements.This work is part of the program of the International Science Fund (Grant UBG 000) and was also financially supported by the State Fund for Fundamental Research of the Ukrainian State Committee on Science and Technology (Project 3.3/52).     

Concurrent combined verification: reducing false positives in automated NMR structure verification through the evaluation of multiple challenge control structures

Automated structure verification using ¹H NMR data or a combination of ¹H and heteronuclear single‐quantum correlation (HSQC) data is gaining more interest as a routine application for qualitative evaluation of large compound libraries produced by synthetic chemistry. The goal of this automated software method is to identify a manageable subset of compounds and data that require human review. In practice, the automated method will flag structure and data combinations that exhibit some inconsistency (i.e. strange chemical shifts, conflicts in multiplicity, or overestimated and underestimated integration values) and validate those that appear consistent. One drawback of this approach is that no automated system can guarantee that all passing structures are indeed correct structures. The major reason for this is that approaches using only ¹H or even ¹H and HSQC spectra often do not provide sufficient information to properly distinguish between similar structures. Therefore, current implementations of automated structure verification systems allow, in principle, false positive results. Presented in this work is a method that greatly reduces the probability of an automated validation system passing incorrect structures (i.e. false positives). This novel method was applied to automatically validate 127 non‐proprietary compounds from several commercial sources. Presented also is the impact of this approach on false positive and false negative results. Copyright © 2012 John Wiley & Sons, Ltd.