フラーレン若手の会・第5回セミナー

日時:6月6日(木)12:30〜7日(金)14:30
場所:京都大学化学研究所(宇治・JR黄檗駅より徒歩)
プログラム:下記講師による講演、参加者によるポスター発表
講師(講演順・敬称略):京大化研・北川敏一、京大工・田中一義、京大工・
今堀博、九大有機基礎研・村上裕人、山形大工・佐野正人、
筑波大TARAセンター・若原孝次

 ポスター発表・懇親会申込締切:5月31日(金)(下記をご参照ください)
懇親会費:未定
*宿泊情報をご入り用の方は、申込の際にお書き添え下さい。

【プログラム】
6月6日(木)
12:30〜 受付・ポスター準備
(座長:学芸大・前田優)
13:00〜 (京大化研)北川敏一
『化学修飾フラーレンイオンの化学』
(座長:青学大・中田恭子)
14:30〜 (京大工)田中一義
『カーボンナノチューブの性質:特に極細チューブについて』
 ・・・休憩・・・
(座長:京大化研・村田靖次郎)
16:30〜 (京大工)今堀博
『人工光合成をめざしたナノサイエンス・ナノテクロノジー』
18:00〜 ポスター発表
19:30〜 懇親会

6月7日(金)
(座長:都立大院理・兒玉健)
 09:00〜 (九大有機基礎研)村上裕人
『フラーレン脂質ケミストリー』
(座長:分子研・小林郁)
10:30〜 (山形大工)佐野正人
『化学で編むカーボンナノチューブの積み木』
・・・昼食・・・
(座長:東工大・稲熊正康)
13:00〜 (筑波大TARAセンター)若原孝次
 『金属内包フラーレンイオンの化学』

【参加・発表・懇親会申し込み方法】
下記について、京大化研・村田(fullerene@hydrogen.kuicr.kyoto-u.ac.jp
までメールにてお申し込みください。
1)氏名(ふりがな)
2)所属(研究室名までお知らせください)
3)連絡先住所、電話およびファックス番号、電子メールアドレス
発表を希望される場合は、下記についてもお知らせください。
4)タイトル
5)所属・著者名(全員、発表者に○印)
* 下記要領にしたがって要旨を作成し、必要部数(50枚を予定)のコピーを当日
ご持参ください。正確な必要部数は、5月中旬にこのページにアップ致します。
<A4縦置き1枚(左右に20mm、上下に30mm以上の余白、タイトル・所属・著
者名はゴシック14pt、本文は明朝体11pt、行間は1.5)>

<連絡先>
分子科学研究所 小林 郁
kaoru@ims.ac.jp
若手の会ホームページ
http://snl.ims.ac.jp/wakate/full_index.html 
静岡大学の相原です。私は今年発刊されましたインターネットジャーナル
Internet Electronic Journal of Molecular Design
(http://www.biochempress.com/)
のAdvisory Board のメンバーを務めております。ホームページを見ていただけると
分かりますが、現在までに3号発行され、無料で公開されております。

このたび、お茶の水女子大学理学部の細矢治夫先生が定年退官されました。そこで、
本ジャーナル関係者が相談の結果、先生のこれまでの数々のご功績を称えるべく、同
先生の65歳記念号を刊行することにいたしました。つきましては、日本の多数の皆
さまの投稿を心よりお願い申し上げます。

この電子ジャーナルが対象とする研究分野やこの特集号への投稿の締切は下に記しま
した。それと合わせて、原稿の雛形(テンプレート)を添付いたします。このテンプ
レートで指定された書式に従ってテンプレートの中の文字等を置き換えていただけま
すと、原稿は自動的に出来上がります。細矢先生への献辞もすでに入っております。
掲載論文のサンプルは上記のホームページを見てください。もしご不明の点がありま
したら、何なりと私宛てあるいは末尾に記載の編集者宛てにお問い合わせください。
投稿を予定される者には、まず5月31日までに原稿の(仮)表題と著者名を下記の
編集者宛てにお知らせ願うことになります。

The attached file contains the WORD template that contains the guidelines
for preparing the manuscript. It is very important that the entire
manuscript will be prepared in WORD, using standard features (Fonts
especially). The electronic MS must include the tables and figures.

The topic of a paper can be any original contribution regarding
computer-assisted molecular design applications in chemistry, biochemistry,
biology, chemical and pharmaceutical industry,
including:
- Computer-aided organic synthesis
- Chemical structure and reactivity investigated with molecular mechanics,
quantum chemistry, and molecular dynamics methods
- Definition, calculation and evaluation of novel structural descriptors
- Chemical database searching, clustering, similarity and diversity measure
- Prediction of physico-chemical properties with Quantitative
Structure-Property Relationships (QSPR)
- Quantitative Structure-Activity Relationships (QSPR) models for
biological activity, toxicity, mutagenicity, and carcinogenicity
- Prediction of chromatographic retention parameters and design of
stationary phases for chromatography
- Modeling of bioorganic compounds, such as proteins, enzymes, and nucleic
acids
- New algorithms for modeling chemical and biochemical phenomena, such as
global optimization methods, simulated annealing, neural networks, genetic
algorithms, ant colony algorithm
- Design of special materials, catalysts, high energy compounds, polymers,
molecular machines

Title of the manuscript and authors: May 31
Early submission: July 31
Late submission: August 31

All manuscripts must be send to iejmd@yahoo.com


Editor-in-Chief: Ovidiu Ivanciuc <iejmd@yahoo.com>
Call for Papers: IEJMD special issue dedicated to Professor Haruo Hosoya
                  on the occasion of the 65th birtday

Guest Editor: Professor Jun-ichi Aihara

Internet Electronic Journal of Molecular Design, http://www.biochempress.com
Email: iejmd@yahoo.com

You are cordially invited to contribute a paper to the special issue of
the Internet Electronic Journal of Molecular Design,
http://www.biochempress.com,
dedicated to Professor Haruo Hosoya. The topic of
the paper can be any original contribution regarding
computer-assisted molecular design applications in chemistry,
biochemistry, biology, chemical and pharmaceutical industry.

The main scientific achievements of Professor Haruo Hosoya are
presented below.

Pioneer of mathematical chemistry: Establishment of new mathematical
concepts, methodologies and proof techniques for giving mathematical
meaning and interpretation to many important empirical rules in chemistry.

* Introduction of topological Index, Z (1971) (Godfather of topological index)
characterization, classification, identification of graphs
correlation of Z index with thermodynamic properties (bp, entropy, etc.)
graph-theoretical molecular orbital theory, bond order, aromaticity, etc.
QSPR study of thermodynamic properties of alkanes

* Introduction of counting polynomials into chemical thinking
Z-counting polynomial (1971), sextet polynomial (1975), king
polynomial (1977), Wheland polynomial (1979), rotational polynomial (1988)
   operator technique for obtaining the recursion formulas (1983)

* Graph-theoretical analysis of Hueckel molecular orbital theory
extended Hueckel rule (1975), benzene character (1980), topological
bond order (1976)

* Quantum-chemical interpretation of oxidation number and its extension
to organic molecules (1982) electron number analysis around the component
atoms of molecules using ab initio MO wavefunction

* Mathematical foundation of organic electron theory (Robinson and
Ingold) (1999) proof of the diagramamatic recipe of organic electron theory
discovery of abnormal tunneling electron transfer in large polycyclic
aromatic hydrocarbons (2001)

* Derivation of the closed formula giving the degeneracy of the angular
parts of atomic wavefunction of n-dimensional hydrogen atom (1999)

* Damping factor for rapid convergence of alternating series in the
calculation of Madelung constants (1982)

Haruo Hosoya was born in 1936, graduated from the University of
Tokyo in 1959, obtained the D.Sc. Degree (equivalent to the Ph.D. degree in
the USA) from the same university in 1964. In 1969 He was appointed
Associate Professor of Ochanomizu University (Tokyo) and in 1984 promoted to
(Full) Professor there. During 1990-1992 he served as Dean of the Faculty of
Science (to which his chemistry department belongs). In 2002 he retired
from Ochanomizu University.

    **************

If you decide to contribute a paper, please note these important deadlines:
   Title of manuscript and authors submitted by Email to iejmd@yahoo.com :
May 30, 2002
   Early submission: manuscript submitted by Email to iejmd@yahoo.com : July
30, 2002
   Late submission: manuscript submitted by Email to iejmd@yahoo.com :
August 30, 2002

If you want to contribute a paper, but need more time for the submission,
send an E-mail with an estimated time of submission.

If you have any questions regarding this special issue, please contact
me by E-mail at: iejmd@yahoo.com


Instructions for Authors

The Internet Electronic Journal of Molecular Design publishes
original contributions regarding computer-assisted molecular design
applications in
chemistry, biochemistry, biology, chemical and pharmaceutical industry,
including:
- Computer-aided organic synthesis
- Chemical structure and reactivity investigated with molecular mechanics,
quantum chemistry, and molecular dynamics methods
- Definition, calculation and evaluation of novel structural descriptors
- Chemical database searching, clustering, similarity and diversity measure
- Prediction of physico-chemical properties with Quantitative
Structure-Property Relationships (QSPR)
- Quantitative Structure-Activity Relationships (QSPR) models for biological
activity, toxicity, mutagenicity, and carcinogenicity
- Prediction of chromatographic retention parameters and design of stationary
phases for chromatography
- Modeling of bioorganic compounds, such as proteins, enzymes,
and nucleic acids
- New algorithms for modeling chemical and biochemical phenomena, such
as global optimization methods, simulated annealing, neural networks,
genetic algorithms, ant colony algorithm
- Design of special materials, catalysts, high energy compounds, polymers,
molecular machines

General
Only original papers are considered for publication in the
Internet Electronic Journal of Molecular Design.
Submission of an article is understood to imply that it has
not previously been published in any language, that it is
not considered for publication elsewhere, and that if
accepted for publication it will not be published
elsewhere.

Organization of Manuscript
The entire manuscript, including mathematical equations,
chemical structures, tables, and figures must be prepared
in electronic form and submitted as Word for Windows
files. Use only fonts that come with Windows software.
For the text use Times New Roman size 12. For all special
characters (e.g., Greek characters) use the font Symbol.
Use carriage returns only to end headings and paragraphs,
not to break lines of text. Automatic hyphenation should
be turned off. Do not insert spaces before punctuation.
Verify the correct spelling for the final version with the
Spelling and Grammar function of Word.

Mathematical Equations
All mathematical equations must be prepared with the
equation editor from Word and placed in the proper place.
The equations are labeled in the order in which they
appear in the text with Arabic numbers in parentheses
aligned to the left margin. In writing the equations use the
following rules: vectors and matrices with bold, functions
such as log, sin, cos normal, and all other mathematical
symbols with italic.

Tables
Each table is numbered with Arabic numbers and must
have a caption that briefly explains the contents of the
table. Column headings should be brief and must indicate units.
Explanations can be given in footnotes labeled with a, b,
as italic superscripts.

Figures
Figures are numbered consecutively with Arabic numbers.
Each figure must be referred to in the text and must have a
caption that briefly explains the contents of the figure.

Chemical Structures
All chemical structures should be prepared with a suitable
graphics program, such as:
  ISIS/Draw from MDL Information Systems, http://www.mdli.com/
  ACD/ChemSketch from Advanced Chemistry Development, http://www.acdlabs.com/
  ChemWindow from SoftShell, http://www.softshell.com/
  ChemDraw from CambridgeSoft, http://www.camsoft.com/

Use the following settings for chemical drawings:
text font: Times New Roman
text size: 10 pt
standard bond/grid length: 16 pt
line width: 0.7 pt
stereo bond width: 2.0 pt
double/triple bond spacing: 20% of width
down bond hashes: 2.5 pt
Templete

All compounds must be labeled with Arabic numbers,
with font Times New Roman, size 10, bold.

References
In the text references must be numbered sequentially in
the order of their appearance with Arabic numbers in
square brackets before punctuation, e.g. [1,2]; [3-6]; [1,5].
All references must be collected in numerical order at the
end of the manuscript under the heading
"REFERENCES".

Journals. Titles of journals must be abbreviated according
to the Chemical Abstracts Service Source Index. Give the
list of all authors, title (with the first letter of each main
word capitalized), journal (italic), year (bold), volume (italic), and pages:

[1] H. Kubinyi, Variable Selection in QSAR Studies. I. An
Evolutionary Algorithm, Quant. Struct.-Act. Relat. 1994,
13, 285-294.
[2] J. G. Topliss and R. P. Edwards, Chance Factors in
Studies of Quantitative Structure-Activity Relationships,
J. Med. Chem. 1979, 22, 1238-1244.
[3] W. Zheng, S. J. Cho, and A. Tropsha, Rational Design
of a Targeted Combinatorial Chemical Library with
Opiatelike Activity, Int. J. Quantum Chem. 1998, 69, 65-
75.

Books. Give the list of all authors, title (with the first letter
of each main word capitalized), publisher, town, edition (if
more than one has been published), date, volume, and
pages (if necessary):

[4] L. B. Kier and L. H. Hall, Molecular Connectivity in
Structure-Activity Analysis, Research Studies Press,
Letchworth, 1986, pp. 20-25.

Chapters from multi-author books.

[5] H. Kubinyi, Comparative molecular field analysis
(CoMFA); in: The Encyclopedia of Computational
Chemistry, Eds. P. v. R. Schleyer, N. L. Allinger, T. Clark,
J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R.
Schreiner, John Wiley & Sons, Chichester, 1998, pp. 448-
460.


The attached file contains the WORD template that contains the guidelines
for preparing the manuscript. It is very important that the entire
manuscript will be prepared in WORD, using standard features (Fonts
especially). The electronic MS must include the tables and figures.