Difference in micellar properties of sodium dodecyl sulfonate from sodium 4-decyl naphthalene sulfonate in D2O solution studied by 1H NMR relaxation and 2D NOESY

¹H chemical shift changes of sodium 4-decyl naphthalene sulfonate (SDNS) at 313 K show that its critical micellar concentration lies between 0.82 and 0.92 mmol/dm³, which is in the same range as that of the previous study at 298 K. The spin–lattice relaxation time, spin–spin relaxation time and two-dimensional nuclear Overhauser enhancement spectroscopy experiments give information about the structure of the SDNS micelle and the dynamics of the molecules in the micelle. The size of the SDNS micelle remains almost unchanged in the temperature range from 298 to 313 K as deduced by analyzing the self-diffusion coefficient. Special arrangement of the naphthyl rings of SDNS in the micelles affects the packing of these hydrophobic chains. The methylene groups of the alkyl chain nearest the naphthalene groups penetrate into the aromatic region, which results in a more tightly packed hydrophobic micellar core than that of sodium dodecyl sulfonate.     

Enantiospecific synthesis of isomers of AES, a new environmentally friendly chelating agent

Three four-step enantiospecific syntheses of different diastereomers of AES, a new biodegradable chelating agent, are described. The stereocenters in each of the isomers are accessible from l- and d-malic and aspartic acids.     

Eine neue Methode zur Bestimmung der Thonerde

Ohne ZusammenfassungSt. Petersburg, den 20. April 1885.     

Mother-to-child transmission of HIV: a simulation-based approach for the evaluation of intervention strategies

Mother-to-child transmission (MTCT) of HIV is the most significant source of HIV infection in children below the age of 15 years. In 2000 alone, about 600 000 new infections occurred, the vast majority from mothers living in developing countries who were not aware of their HIV-positive status. To date, at least 4.3 million children have died from AIDS. In this paper, we discuss the development of an operational model that can be used to evaluate intervention options for the prevention of MTCT of HIV. The problem was approached by defining suitable pregnancy risk groups, prevention options and the required model outputs to evaluate different intervention strategies. The method chosen to approach the problem was a discrete-event, three-phase simulation, built in Visual Basic, with a stochastic semi-Markov structure. The developed model takes individual pregnant women through each stage of their pregnancy, labour and birth. Different intervention strategies may be modelled at any time, including short-course antiretroviral drugs and cessation of breastfeeding. The model is demonstrated with data from Botswana, which has one of the highest HIV-infection rates in the world.     

InAs/GaSb/AlSb resonant tunneling spin device concepts

We discuss device concepts for creating spin-polarized current sources without external magnetic fields, using non-magnetic 6.1 Å semiconductor resonant tunneling structures. Spin filters, spin pumps, and spin transistors that exploit structural and bulk inversion asymmetries will be examined.     

Studies on thermal and morphological properties of 1,1-bis(3-methyl-4-cyanatophenyl)cyclohexane-epoxy-bismaleimide matrices

A new cyanate ester monomer, 1,1-bis(3-methyl-4-cyanatophenyl)cyclohexane has been synthesized and characterized. Epoxy modified with 4, 8 and 12% (by weight) of cyanate ester were made using epoxy resin and 1,1-bis(3-methyl-4-cyanatophenyl)cyclohexane and cured by using diaminodiphenylmethane. The cyanate ester modified epoxy matrix systems were further modified with 4, 8 and 12% (by weight) of bismaleimide (N,N′-bismaleimido-4,4′-diphenylmethane). The formation of oxazolidinone and isocyanurate during cure reaction of epoxy and cyanate ester blend was confirmed by IR spectral studies. Bismaleimide-cyanate ester-epoxy matrices were characterized using differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and heat deflection temperature (HDT) analysis. Thermal studies indicate that the introduction of cyanate ester into epoxy resin improves the thermal degradation studies at the expense of glass transition temperature. Whereas the incorporation of bismaleimide into epoxy resin enhances the thermal properties according to its percentage content. However, the introduction of both cyanate ester and bismaleimide influences the thermal properties according to their percentage content. DSC thermogram of cyanate ester modified epoxy and bismaleimide modified epoxy show unimodel reaction exotherms. The thermal degradation temperature and heat distortion temperature of the cured bismaleimide modified epoxy and cyanate ester-epoxy systems increased with increasing bismaleimide content. The morphology of the bismaleimide modified epoxy and cyanate ester-epoxy systems were also studied by scanning electron microscopy. Copyright © 2003 John Wiley & Sons, Ltd.     

Ab Initio Structure/Reactivity Investigations of Illudin‐Based Antitumor Agents: A Model for Reaction in vivo

(Hydroxymethyl)acylfulvene (HMAF, irofulven; 4 ), a third‐generation derivative of a natural product extracted from the mushroom Omphalotus illudens, is selectively toxic towards certain forms of malignant tumors. Conversion of HMAF and cognates to stable aromatic derivatives is triggered by thiol attack in vitro and in vivo. Quantum‐chemical methods predict well the structure for several functionalized derivatives of irofulven as compared to known X‐ray crystallographic structures. Computational reaction profiles for thiol attack and aromatic rearrangement of irofulven and illudin S, a toxin from which irofulven is derived, provide insight into HMAF's selectivity and toxicity. Methods used include hybrid density‐functional theory (HDFT), Hartree? Fock (HF), and Møller? Plesset second‐order perturbation theory (MP2). Solvent effects have been explored by means of the new continuum‐solvation method, COSab, presented in an accompanying paper.