{"title":"A Computer Program for Analysis of Heat and Sweat Transport Processing among Clothes","authors":"T. Ishikawa, S. Otsuki","doi":"10.2477/JCHEMSOFT.1.119","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.119","url":null,"abstract":"布素材間の熱・水分移動特性を測定するのに必要なソフトウエアの開発には、温度、湿度および熱流センサからのデータを直接パーソナルコンピュータに取り込む機能を有し、また湿度センサの値の信頼性が十分でないためこれを自動補正する機能も含めることが必要であった。さらに、得られたデータの処理を簡単な操作で、適当な場所を画面上でカットし、適当な関数を選択して非線形最小自乗法によって衣服素材の特徴部分を関数化する処理もできるようにした。この様な処理法の導入によって衣服素材の物性値のデータベース化を容易にできることが分かった。","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"89 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124180744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
BASIC programs can be re-written into Macros of Lotus 1-2-3Tm. This methodology may enable us to revive a lot of useful existing programs with minimum effort. The outline of the procedure is described.
{"title":"Revival of BASIC Programs.","authors":"M. Fujiwhara","doi":"10.2477/JCHEMSOFT.1.125","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.125","url":null,"abstract":"BASIC programs can be re-written into Macros of Lotus 1-2-3Tm. This methodology may enable us to revive a lot of useful existing programs with minimum effort. The outline of the procedure is described.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"27 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122487434","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Software Developments for Molecular Modeling and its Application for the Study of Structural Chemistry","authors":"Takayuki Yano, S. Ozaki, J. Shimozawa","doi":"10.2477/JCHEMSOFT.1.73","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.73","url":null,"abstract":"","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"3 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114781131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"クロマトデータ分析用ネットワークの構築（第２報） パソコン用クロマトデータ解析ソフト\"Ｃｈｒｏｐｌｏｔ\"の開発:パソコン用クロマトデータ解析ソフト\"Chroplot\"の開発","authors":"Yukinori Eguchi","doi":"10.2477/JCHEMSOFT.1.113","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.113","url":null,"abstract":"","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129068143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Y. Tatsu, S. Yamamura, Hitoshi Yamamoto, S. Yoshikawa
Alpha helix is a typical element in the secondary structure of proteins. Because proteins are composed of many atoms, the a helical structure have been drawn in simplified manners. Crick used the helical net projection to study the packing of the a helices [1]. The position of amino acid is projected on the cylinder paper, which wraps around the helix, and then the paper is opened up flatly. By overlaying two papers, the packing of helices was estimated. Schiffer and Edmundson used the helical wheel projection, where the names of amino acid were printed in top view of the helix [2]. It is useful for experienced researchers to image the feature, such as amphiphilicity, of the a helix. Here we report a novel method which explicitly represents the feature of the a helical structure. Figure 1 shows the schematic helical structure of melittin [3]. Melittin, a toxin of bee, interacts with lipid bilayer and finally collapses the bilayer. The action is attributed to the amphipathic a helical structure of melittin. The outer diagram in Fig. 1A is a helical wheel projection and the inner one shows the distribution of hydrophobicity. The radii of circles correspond to the hydrophobicity of amino acids. Small and large circles gather in the upper side and the lower side, respectively. This diagram explicitly reveals that the upper side is hydrophilic and lower side is hydrophobic. The diagrams in Fig. 1C and 1D are helical net projections for the distribution of hydrophobicity and
{"title":"Schematic Representation of the Alpha Helical Peptide","authors":"Y. Tatsu, S. Yamamura, Hitoshi Yamamoto, S. Yoshikawa","doi":"10.2477/JCHEMSOFT.1.129","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.129","url":null,"abstract":"Alpha helix is a typical element in the secondary structure of proteins. Because proteins are composed of many atoms, the a helical structure have been drawn in simplified manners. Crick used the helical net projection to study the packing of the a helices [1]. The position of amino acid is projected on the cylinder paper, which wraps around the helix, and then the paper is opened up flatly. By overlaying two papers, the packing of helices was estimated. Schiffer and Edmundson used the helical wheel projection, where the names of amino acid were printed in top view of the helix [2]. It is useful for experienced researchers to image the feature, such as amphiphilicity, of the a helix. Here we report a novel method which explicitly represents the feature of the a helical structure. Figure 1 shows the schematic helical structure of melittin [3]. Melittin, a toxin of bee, interacts with lipid bilayer and finally collapses the bilayer. The action is attributed to the amphipathic a helical structure of melittin. The outer diagram in Fig. 1A is a helical wheel projection and the inner one shows the distribution of hydrophobicity. The radii of circles correspond to the hydrophobicity of amino acids. Small and large circles gather in the upper side and the lower side, respectively. This diagram explicitly reveals that the upper side is hydrophilic and lower side is hydrophobic. The diagrams in Fig. 1C and 1D are helical net projections for the distribution of hydrophobicity and","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133806082","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The importance of chemical experiments and hands-on experience in the study of chemistry is underlined. It is through learning by doing that most students gain experience in this area as elsewhere. However, time does not always permit sufficient laboratory work. Limited financial resources may also restrict access to practical experiments, such as instrumental analysis.Microcomputer-aided programs can offer a solution to this problem. Our chemical education software was previously developed for the purpose of arrangement and reconfirmation of chemistry knowledge. However, a main target in this paper is also the acquiring of a new knowledge by learners.This paper describes the educational effect of the microcomputer-aided lecture on the teaching and/or learning of chemistry. The results of this type of lecture concerning instrumental analysis are satisfactory from an educational point of view.
{"title":"Educational Effect of the Microcomputer-Aided Lecture on the Teaching and/or Learning of Chemistry.","authors":"Tadayosi Yoshimura, Yoshihiro Fujikami","doi":"10.2477/jchemsoft.1.89","DOIUrl":"https://doi.org/10.2477/jchemsoft.1.89","url":null,"abstract":"The importance of chemical experiments and hands-on experience in the study of chemistry is underlined. It is through learning by doing that most students gain experience in this area as elsewhere. However, time does not always permit sufficient laboratory work. Limited financial resources may also restrict access to practical experiments, such as instrumental analysis.Microcomputer-aided programs can offer a solution to this problem. Our chemical education software was previously developed for the purpose of arrangement and reconfirmation of chemistry knowledge. However, a main target in this paper is also the acquiring of a new knowledge by learners.This paper describes the educational effect of the microcomputer-aided lecture on the teaching and/or learning of chemistry. The results of this type of lecture concerning instrumental analysis are satisfactory from an educational point of view.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1993-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128689001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A Bird's Eye View Drawing of Various Elemental Properties on Spiral-Type Periodic Table","authors":"A. Yamasaki","doi":"10.2477/JCHEMSOFT.1.55","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.55","url":null,"abstract":"","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"11 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1992-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126169405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A CHEMICAL KINETICS PROGRAM FOR THE ANALYSIS OF REACTION MECHANISM IN COMBUSTION","authors":"Kentaro Tsuchiya, T. Miyadera, M. Oya","doi":"10.2477/JCHEMSOFT.1.45","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.45","url":null,"abstract":"様々な過程あるいは条件下にある均一系の化学反応のシミュレーションを行なうコンピュータープログラム (REと命名する) を開発した。本プログラムは速度定数および初期組成に対する1次感度係数を計算することができる。感度係数の計算には直接法を採用したが、解法の最適化またはアルゴリズムを改良することにより、従来の方法と比べて計算時間を大幅に短縮できた。","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"11 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1992-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132048936","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Encoding Chemical Structural Data for Telecommunication (1)","authors":"H. Nakano, K. Yamana, O. Sangen","doi":"10.2477/jchemsoft.1.25","DOIUrl":"https://doi.org/10.2477/jchemsoft.1.25","url":null,"abstract":"化学構造式を通信するための, 機種に依存しないコード化の方法を検討した。提案された通信用の化学構造式フォーマット (chemcode) は, 化合物の結合情報とともに, 原子の2次元座標, 結合の種類, その他の補助的な図形情報を含み, さらに通信中の誤りを訂正する機構を持っている。chemcodeとMacintoshのChemDrawのデータファイルとの相互変換プログラム, およびchemcodeによりPC-9801画面に構造式を作図するプログラムを開発し, 異機種間での構造式通信の可能性を実証した。","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1992-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"113966128","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Molecular mechanics was applied for determination of favorable hydration modes to the phosphate group in the phosphatidylcholine head group. The result shows that there are three favorable hexagonal arrangements of the head groups, in all of which five water molecules can be placed around each phosphate group.
{"title":"Conformational Analysis of Hexagonal Arrangements of Phosphatidylchloline Head Groups with Bound Waters by Molecular Mechanics","authors":"Y. Nakata, A. Takahashi, T. Takizawa","doi":"10.2477/JCHEMSOFT.1.39","DOIUrl":"https://doi.org/10.2477/JCHEMSOFT.1.39","url":null,"abstract":"Molecular mechanics was applied for determination of favorable hydration modes to the phosphate group in the phosphatidylcholine head group. The result shows that there are three favorable hexagonal arrangements of the head groups, in all of which five water molecules can be placed around each phosphate group.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"39 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1992-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115056729","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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