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R&D Reports

vol. 2002 - I (2002.5.30 issue)

Structure Analysis and Characterization of Synthetic Polymer Materials

Several new preparation techniques for structure analysis and characterization of newly developed synthetic polymer materials which have high performance (i.e. (super) engineering plastics) were established. We report i) polymer degradation technique for polymer composition analysis by the use of supercritical fluid and ii) the application of accelerated solvent extraction (ASE) technique for efficient extraction of monomers and oligomers of engineering plastics. We also refer to the nuclear magnetic resonance (NMR) techniques to assign the NMR peaks of polymer terminal and the sequence-related NMR peak splitting.
( 4 - 12 by Akihiko OKADA, Hiroshi TAKIGAWA, Nobuchika IWATA, Mika SHIRASAKI, Yutaka FUJIWARA, Toshio SASAKI )

Reseaches on Automatization for NMR Measurement and Structure Elucidation

Nuclear magnetic resonance (NMR) is one of the most widely available analytical methods for the elucidation of chemical structures and reaction mechanisms. Recently, much effective chemical information has been obtained, due to advances and development in hardware (high performance super conducting magnets and computers; speedup and capacity enlargement) and software (measuring techniques, such as 2D-NMR spectroscopy).
In this paper, we discuss the following items that we are investigating for the purpose of improving the efficiency of R&D.
[Automated and centralized NMR measurement using the automatic sample preparation robotic system (AutoPrep)]
[Introduction and development of the automated structure elucidation systems for NMR spectra]
( 13 - 22 by Kunihiko FUJITA, Hideyuki MASUI, Shinji MORIMOTO )

Convergent Beam Optical Microscope -Development and Application of a New Microscope -

For analyzing structures of various materials with certain regularity, we developed quite a new microscope, which we call a convergent beam optical microscope (CBOM). CBOM makes it possible to obtain both a diffraction (or scattering) pattern and a corresponding real space image of a sample using a convergent beam as illuminating light. By setting a suitable spatial filter on the diffraction pattern, we can obtain the corresponding real space image formed by the light passed through it.
In this report, we summarized principles, features, and applications of CBOM.
( 23 - 31 by Shinya UTSUMI, Takeshi FUJII, Masao MINOBE )

Discovery of Insecticidal Pyridyl-pyridone Compounds and Development of their Organic Chemistry

In our research to find new pesticides, we found out a novel compound, [1(2H)-3,3'-dichloro-5,5'-bis (trifluoromethyl)-2'-bipyridin]-2-one, showed insecticidal activity, which was isolated as an unusual by-product during the reaction of 2,3-dichloro-5-trifluoromethylpyridine with sodium acetate.
This result prompted us to apply some structural modifications to the compound to yield several promising compounds. We developed an efficient synthetic method for their compounds, and moreover, we could find, during the above modifications, some interesting chemical reactivities of them and a new perfluoroalkylation reaction.
( 32 - 43 by Noriyasu SAKAMOTO, Noritada MATUO )

Prediction of Solubility of Aromatic Compound Isomers in Supercritical Carbon Dioxide

The Monte Carlo method with multi site model was proposed to calculate the solubility of aromat ic compounds and their isomers in supercritical carbon dioxide. The calculated solubility is in good agreement with the experimental data by using common potential parameters without any binary interaction parameters. The solubility of isomers also can be distinguished by this model.
It is shown that multi site model can be utilized as one of the group contribution method.
( 44 - 50 by Yasuhiko MORI )

Developmental Neurotoxicity Study -Current and Problems-

Developmental neurotoxicity (DNT) is an adverse effect of xenobiotics on morphology and neurobehavioral functions of the developing nervous system before or after birth. In 1991, U.S. Environmental Protection Agency (US EPA) first issued a standard protocol for evaluation of DNT in human health risk assessment. Organization for Economic Co-operation and Development (OECD) has been now refining the new guideline for DNT testing. Last decade, there are increasing social concerns about the effect of environmental chemicals on children health, including the reproductive and neurobehavioral functions. Evaluation of the developmental neurotoxicity of chemicals will be close up as an important issue for human health risk assessment. It is, however, evident that the developmental neurotoxicity study is still now immature and growing with progress of neuroscience study. In these conditions, we make up our test procedures for the guideline study and try to establish more reliable assessment of chemical effects for children health with a current scientific level of neuroscience.
( 51 - 59 by Takafumi YOSHIOKA, Kumiko KOBAYASHI, Masahiko KUSHIDA, Maya IKEDA, Madoka SASAKI, Ryozo TSUJI )

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