Bulletin of the Chemical Society of Japan Vol. 83 No. 3

Chemistry of Anthracene–Acetylene Oligomers XV. Synthesis, Structures, and Dynamic Behavior of Chiral Anthrylene–Ethynylene Cyclic Tetramers and Related Derivatives and Resolution of Enantiomers

Fri, 26 Feb 2010

The rotation of the crank anthrylene group about acetylene linkers was so restricted that the enantiomers of the following cyclic tetramer were resolved by chiral HPLC. The structural and spectroscopic features of this compound are compared with another three derivatives having different crank moieties.

Calorimetric Study of Correlated Ligand Dynamics in Mixed-Valence MMX Chain Complex [{Ni2(n-BuCS2)4}I]

Fri, 26 Feb 2010

The heat capacity of [{Ni₂(n-BuCS₂)₄}I] was measured by adiabatic calorimetry. The experimental entropy is much smaller than a simple estimate based on the structural disorder found in the crystal structure, indicating the occurrence of correlated dynamics.

Dissociative Electron Capture of Hydrogen-Bonded Hydroxy Groups: Molecular Dynamics and Matrix Isolation ESR Study

Paul H. Kasai — Fri, 26 Feb 2010

A molecular dynamics calculation has shown that on capture of an electron, hydrogen-bonded methanol dimer dissociates as follows. The OH-hydrogen of the acceptor side cleaves as an atom and abstracts a hydrogen from the methyl unit of the donor side. A matrix isolation ESR study confirmed the formation of the predicted radical, CH₃–O⁻···HO–CH₂●.

Singlet Oxygen Lifetime in Vitamin E Emulsion Depends on the Oil-Droplet Size

Keishi Ohara, Takashi Origuchi and Shin-ichi Nagaoka — Fri, 26 Feb 2010

Singlet oxygen (¹O₂) lifetime in the emulsion dispersing natural vitamin E was dependent on size of the contained oil-droplet. The results indicate that the ¹O₂ emission occurs in the interface region around the oil-droplet rather than in the bulk phase.

Tributyl Borate Mediated Biginelli Reaction: A Facile Microwave-Assisted Green Synthetic Strategy toward Dihydropyrimidinones

Choorikkat Ranjith, G. V. Srinivasan and K. K. Vijayan — Fri, 26 Feb 2010

A new boron-based catalyst, tributyl borate, is introduced for the synthesis of multi-functionalized pharmacologically active dihydropyrimidinones under a solvent-free, fast, cost effective, and efficient microwave-assisted greener protocol is described.

Water Molecules as Binders in Transformation of 2D Coordination Polymer [Cu(4,4′-bpy)2(OTf)2]n into Parallel Aligned 3D Architectures

Keiko Komori-Orisaku, Kazuma Hoshino, Shinya Yamashita and Yoshihiro Koide — Fri, 26 Feb 2010

A conversion of 2D frameworks of {[Cu(4,4′-bpy)₂(OTf)₂]·2CH₃CN}_n is performed and crystallographically characterized. Infinite linear water networks assembled in the inter-layer spaces are playing roles of binders that link multiple metal centers through the interplay of coordination and hydrogen bonding.

Dibridged Bis(Zn2+–cyclen): A Novel Host Molecule of Malonate Dianion in Aqueous Solution

Fri, 26 Feb 2010

A dinuclear zinc(II) complex, m,m-bis(Zn²⁺–cyclen) was synthesized as a novel host molecule for a malonate dianion.

Prediction of Log(IGC50)−1 for Benzene Derivatives to Ciliate Tetrahymena pyriformis from Their Molecular Descriptors

Mohammad Hossein Fatemi and Hanieh Malekzadeh — Fri, 26 Feb 2010

The structure–toxicity relationships approaches were used to predict Log(IGC₅₀)⁻¹ of 392 substituted benzenes to the ciliate Tetrahymena pyriformis. The best MLR model had statistics of R² = 0.822 and SE = 0.312 for training set and R² = 0.815 and SE = 0.337 for prediction set.

Total Synthesis of (−)-Tetrodotoxin from D-Glucose: A New Route to Multi-Functionalized Cyclitol Employing the Ferrier(II) Reaction toward (−)-Tetrodotoxin

Fri, 26 Feb 2010

Total synthesis of (−)-tetrodotoxin from D-glucose employing the Ferrier(II) reaction is described.