論文リスト

2016年度

70. Tatsusada Yoshida, Takahisa Hayashi, Akira Mashima, Katsunori Sasahara, Hiroshi Chuman,

A Simple and Efficient Dispersion Correction to the Hartree–Fock Theory (3): A Comprehensive Performance Comparison of HF-Dtq with MP2 and DFT-Ds, 

Bioorganic & Medicinal Chemistry Letters, Vol.26, No.2, pp.589-593, 2016.  DOI: 10.1016/j.bmcl.2015.11.061

 

2015年度

69. Katsunori Sasahara, Akira Mashima, Tatsusada Yoshida, Hiroshi Chuman,

Molecular Dynamics and Density Functional Studies on the Metabolic Selectivity of Antipsychotic Thioridazine by Cytochrome P450 2D6: Connection with Crystallographic and Metabolic Results, 

Bioorganic & Medicinal Chemistry, Vol.23, No.17, pp.5459-5465, 2015.  DOI: 10.1016/j.bmc.2015.07.043

 

68. Tatsusada Yoshida, Takahisa Hayashi, Akira Mashima, Hiroshi Chuman,

A Simple and Efficient Dispersion Correction to the Hartree–Fock Theory (2): Incorporation of a Geometrical Correction for the Basis Set Superposition Error, 

Bioorganic & Medicinal Chemistry, Vol.25, No.19, pp.4179-4184, 2015.  DOI: 10.1016/j.bmcl.2015.08.008

 

67. Yunoshin Tamura, Hiroh Miyagawa, Tatsusada Yoshida, Hiroshi Chuman,

Binding Interaction of SGLT with Sugar and Thiosugar by the Molecular Dynamics Simulation, 

Biochimica et Biopysica Acta: Biomembranes, Vol.1848, No.11, pp.2799-2804, 2015.  DOI: 10.1016/j.bbamem.2015.08.001

 

66. M. Motiur Rahman, Takatsugu Hirokawa, Daisuke Tsuji, Jun Tsukimoto, Seiji Hitaoka, Tatsusada Yoshida, Hiroshi Chuman, Kohji Itoh,

Novel pH-dependent Regulation of Human Cytosolic Sialidase 2 (NEU2) Activities by Siastatin B and Structural Prediction of NEU2/Siastatin B Complex, 

Biochemistry and Biophysics Reports, Vol.4, pp.234-242, 2015.  DOI: 10.1016/j.bbrep.2015.09.017

 

65. Akira Mashima, Masahiro Kurahashi, Katsunori Sasahara, Tatsusada Yoshida, Hiroshi Chuman,

Connecting Classical QSAR and LERE Analyses Using Modern Molecular Calculations, LERE-QSAR (VI): Hydrolysis of Substituted Hippuric Acid Phenyl Esters by Trypsin, 

Molecular Informatics, Vol.33, No.11-12, pp.802-814, 2015.  DOI: 10.1002/minf.201400099

 

2014年度

64. Kunihiro Kitamura, Yunoshin Tamura, Tomokazu Ueki, Koji Ogata, Shigeho Noda, Ryutaro Himeno, Hiroshi Chuman, 

Binding Free-Energy Calculation Is a Powerful Tool for Drug Optimization: Calculation and Measurement of Binding Free Energy for 7-Azaindole Derivatives to Glycogen Synthase Kinase-3b,

Journal of Chemical Information and Modeling, Vol.54, No.6, pp.1653-1660, 2014. DOI: 10.1021/ci400719v

 

2013年度

63. Tatsusada Yoshida, Akira Mashima, Katsunori Sasahara, Hiroshi Chuman, 

A Simple and Efficient Dispersion Correction to the Hartree-Fock Theory, 

Bioorganic & Medicinal Chemistry Letters, Vol.24, pp.1037-1042, 2014.  DOI: 10.1016/j.bmcl.2014.01.020

 

2012年度

62. Seiji Hitaoka and Hiroshi Chuman,

Revisiting the Hansch-Fujita Approach and Development of a Fundamental QSAR,

Journal of Pesticide Science, Vol.38, No.2, pp.60-67, 2013.  DOI: 10.1584/jpestics.D12-082

 

61. Seiji Hitaoka,Yuto Shibata, Hiroshi Matoba, Akihiro Kawano, Masataka Harada, M Motiur Rahman, Daisuke Tsuji, Takatsugu Hirokawa, Kohji Itoh, Tatsusada Yoshida, Hiroshi Chuman,

Modeling of Human Neuraminidase-1 and Its Validation by LERE-Correlation Analysis,

Chem-Bio Informatics Journal, Vol.13, pp.30-44, 2013.  DOI: 10.1273/cbij.13.30

 

60. Tatsusada Yoshida, Seiji Hitaoka, Akira Mashima, Takuya Sugimoto, Hiroshi Matoba, Hiroshi Chuman,

A Combined QM/MM (ONIOM) and QSAR Approach to the Study of Complex Formation of Matrix Metalloproteinase-9 with a Series of Biphenylsulfonamides - LERE-QSAR Analysis (V),

The Journal of Physical Chemistry B, Vol.116 , No.34, pp.10283-10289, 2012. DOI: 10.1021/jp305476x 

 

2011年度

59. Tatsusada Yoshida, Miho Shimizu, Masataka Harada, Seiji Hitaoka, Hiroshi Chuman,

Reassessment of Hammett sigma as an Effective Parameter Representing Intermolecular Interaction Energy - Links between Traditional and Modern QSAR Approaches,

Bioorganic & Medicinal Chemistry Letters, Vol.22, pp.124-128, 2012.  DOI: 10.1016/j.bmcl.2011.11.047     

 

58. Seiji Hitaoka, Hiroshi Matoba, Masataka Harada, Tatsusada Yoshida, Daisuke Tsuji, Takatsugu Hirokawa, Kohji Itoh, Hiroshi Chuman,

Correlation Analyses on Binding Affinity of Sialic Acid Analogues and Anti-influenza Drugs with Human Neuraminidase Using ab Initio MO Calculations on Their Complex Structures -LERE-QSAR Analysis (IV),

Journal of Chemical Information and Modeling, Vol.51, No.10, pp.2706-2716, 2011. DOI: 10.1021/ci2002395

 

57. Tatsusada Yoshida, Koji Hirozumi, Masataka Harada, Seiji Hitaoka, Hiroshi Chuman, Density Functional Theory Study of Hydrogen Atom Abstraction form a Series of para-Substituted Phenols: Why is the Hammett sp+ Constant Able to Represent Radical Reaction Rates?,

The Journal of Organic Chemistry, Vol.76, No.11, pp.4564-4570, 2011. DOI: 10.1021/jo200450p

 

2010年度

56. Yohei Munei, Kazunori Shimamoto, Masataka Harada, Tatsusada Yoshida, Hiroshi Chuman, 

Correlation Analyses on Binding Affinity of Substituted Benzenesulfonamides with Carbonic Anhydrase Using ab Initio MO Calculations on Their Complex Structures (II),

Bioorganic & Medicinal Chemistry Letters, Vol. 21, No.1, pp.141-144, 2011. DOI: 10.1016/j.bmcl.2010.11.050

 

55. Seiji Hitaoka, Masataka Harada, Tatsusada Yoshida, Hiroshi Chuman,

Correlation Analyses on Binding Affinity of Sialic Acid Analogues with Influenza Virus Neuraminidase-1 Using ab Initio MO Calculations on Their Complex Structures.

Journal of Chemical Information and Modeling, Vol.50, No.10, pp.1796-1805, 2010. DOI: 10.1021/ci100225b

 

54. Tatsusada Yoshida, Yohei Munei, Seiji Hitaoka, Hiroshi Chuman,

Correlation Analyses on Binding Affinity of Substituted Benzenesulfonamides with Carbonic Anhydrase Using ab Initio MO Calculations on Their Complex Structures.

Journal of Chemical Information and Modeling, Vol.50, No.5, pp.850-860, 2010.  DOI: 10.1021/ci100068w

 

53. Seiichiro Ten-no, Jaewoon Jung, Hiroshi Chuman,

Assessment of Free Energy Expressions in RISM Integral Equation Theory: Theoretical Predicti on of Partition Coefficients Revisited,

Molecular Physics, Vol.108, pp.327-332, 2010. DOI: 10.1080/00268970903451848

 

2009年度

52. Tatsusada Yoshida, Toshio Fujita, Hiroshi Chuman,

Novel Quantitative Structure-Activity Studies of HIV-1 Protease Inhibitors of the Cyclic Urea Type Using Descriptors Derived from Molecular Dynamics and Molecular Orbital Calculations.

Current Computer Aided Drug Design, Vol.5,No.1, pp.38-55, 2009.  DOI: 10.2174/157340909787580845I

 

51. Daisuke Itokawa, Aiko Yamauchi, Hiroshi Chuman,

Quantitative Structure-Activity Relationship for Inhibition of CYP2B6 and CYP3A4 by Azole Compounds-Comparison with Their Binding Affinity.

QSAR & Combinatorial Science, Vol.28, No.6-7, pp.629-636, 2009. DOI: 10.1002/qsar.200730115

 

50. Tatsusada Yoshida, Yoshito Kadota, Seiji Hitaoka, Eri Kori, Yasushi Horikawa, Masahiro Taguchi, Daisuke Tsuji, Takatsugu Hirokawa, Hiroshi Chuman, Kohji Itoh,

Expression and Molecular Dynamics Studies on Effect of Amino Acid Substitutions at Arg344 in Human Cathepsin A on the Protein Local Conformation. 

Biochimica et Biopysica Acta: Proteins and Proteomics, Vol.1794, pp.1693-1699, 2009. DOI: 10.1016/j.bbapap.2009.08.004

 

2008年度

49. Hiroshi Chuman,

Toward Basic Understanding of the Partition Coefficient Log P and Its Application in QSAR.

SAR and QSAR in Environmental Research, Vol.19, No.1-2, pp.71-79, 2008.  DOI: 10.1080/10629360701844050

 

48. Tatsusada Yoshida, Kenji Yamagishi, Hiroshi Chuman,

QSAR Study of Cyclic Urea Type HIV-1 PR Inhibitors Using Ab Initio MO Calculation of Their Complex with HIV-1 PR.

QSAR & Combinatorial Science, Vol.27, No.6, pp.694-703, 2008.  DOI: 10.1002/qsar.200730108

 

47. Noriaki Okazaki, Ryoji Asano, Takashi Kinoshita, Hiroshi Chuman,

Simple computational models of type I / type II cells in Fas signaling-induced apoptosis.

Journal of Theoretical Biology, Vol.250, No.4, pp.621-633, 2008. DOI: 10.1016/j.jtbi.2007.10.030

 

46. Yuko Shiba, Takashi Kinoshita, Hiroshi Chuman, Yutaka Taketani, Eiji Takeda, Yoji Kato, Michitaka Naito, Kyuichi Kawabata, Akari Ishisaka, Junji Terao, Yoshichika Kawai,

Flavonoids as substrates and inhibitors of myeloperoxidase : Molecular actions of aglycone and metabolites,

Chemical Research in Toxicology, Vol.21, No.8, pp.1600-1609, 2008. DOI: 10.1021/tx8000835

 

2007年度

45. Daisuke Itokawa, Tomoki Nishioka, Junji Fukushima, Tomoyo Yasuda, Aiko Yamauchi, Hiroshi Chuman,

Quantitative Structure-Activity Relationship Study of Binding Affinity of Azole Compounds with CYP2B and CYP3A,

QSAR & Combinatorial Science, Vol.26, No.7, pp.828-836, 2007.  DOI: 10.1002/qsar.200610136

 

44. Kumiko Sakamoto, Aiko Yamauchi, Mikio Sasaki, Hiroshi Chuman,

A Structural Similarity Evaluation by SimScore in a Teratogenicity Information Sharing System,

Journal of Computer Chemistry. Japan, Vol.6, No.2, pp.117-122, 2007.  DOI: 10.2477/jccj.6.117

 

43. Masahito Ochiai, Takao Kaneaki, Norihiro Tada, Kazunori Miyamoto, Hiroshi Chuman, Motoo Shiro, Satoko Hayashi, Waro Nakanishi,

A New Type of Imido Group Donor: Synthesis and Characterization of Sulfonylimino-l3-bromane that Acts as a Nitrenoid in the Aziridination of Olefins at Room Temperature under Metal-free Conditions.

Journal of the American Chemical Society, Vol.129, No.43, pp.12938-12939, 2007.  DOI: 10.1021/ja075811i

 

42. Sohei Okazaki, Noriaki Okazaki, Yasushi Hirose, Yutaka Furubayashi, Taro Hitosugi, Toshihiro Shimada, Tetsuya Hasegawa,

Quantitative Analysis of Thin-film Conductivity by Scanning Microwave Microscope.

Applied Surface Science, Vol.254, pp.757-759, 2007.  DOI:10.1016/j.apsusc.2007.06.076

 

41. Yui Ishii, Toshihiro Shimada, Noriaki Okazaki, Tetsuya Hasegawa
Wetting-dewetting oscillations of liquid films during solution-mediated vacuum deposition of rubrene,

Langmuir, Vol.23, No.12, pp.6864-6868, 2007. DOI: 10.1021/la700242w

 

40.山内あい子, 坂本久美子, 中田栄子, 佐々木幹夫, 谷真琴, 中馬寛, 

医薬品安全性情報コミュニティ・データベースシステム:妊娠と薬に関する安全性情報の共有に向けて,

『情報管理』, Vol.50, No.3, 2007.  DOI: 10.5649/jjphcs.32.956  

 

2006年度

39. Mutsuko Shirai, Yoshichika Kawai, Rintaro Yamanishi, Takashi Kinoshita, Hiroshi Chuman, Junji Terao,

Effect of a conjugated quercetin metabolite, quercetin 3-glucuronide, on lipid hydroperoxide-dependent formation of reactive oxygen species in differentiated PC-12 cells,

Free Radical Research, Vol.40, No.10, pp.1047-1053, 2006.  DOI: 10.1080/10715760600794287

 

38. Takashi Kinoshita, Zsolt Lepp, Yoshichika Kawai, Junji Terao, Hiroshi Chuman,  

An Integrated Database of Flavonoids,

BioFactors, Vol.26, No.3, pp.179-188, 2006.  DOI: 10.1002/biof.5520260303

 

37. Tatsusada Yoshida, Zsolt Lepp, Yoshito Kadota, Yurie Satoh, Kohji Itoh, Hiroshi Chuman,

Comparative Analysis of Binding Energy of Chymostatin with Human Cathepsin A and Its Homologous Proteins by Molecular Orbital Calculation,

Journal of Chemical Information and Modeling, Vol.46, No.5, pp.2093-2103, 2006. DOI: 10.1021/ci060093p

 

36. Zsolt Lepp, Takashi Kinoshita, Hiroshi Chuman,

Screening for New Antidepressant Leads of Multiple Activities by Support Vector Machines,

Journal of Chemical Information and Modeling Journal of Chemical Information and Modelin, Vol.46, No.1, pp.158-167, 2006.  DOI: 10.1021/ci050301y

 

35. J. Kasai, N. Okazaki, Y. Nakayama, T. Motohashi, J. Shimoyama, K. Kishio, Y. Matsumoto, H. Koinuma, T. Hasegawa,

Direct Observation of Interlayer Josephson Vortices in Heavily Pb-DopedBi2Sr2CaCu2Oy by Scanning Superconducting Quantum Interference Device Microscopy,

Japanese Journal of Applied Physics, Vol.45, pp.L490-L492, 2006.  DOI:10.1143/JJAP.45.L490

 

34. N. Okazaki, S. Okazaki, R. Takahashi, M. Murakami, P. Ahmet, N. Kakiuchi, H. Furusho, T. Nishino, Y. Furubayashi, T. Fukumura, Y. Matsumoto, M.Kawasaki, T. Chikyow, H. Koinuma, T. Hasegawa,

Development of Variable Temperature Scanning Microwave Microscope for High Throughput Materials Characterization,

Materials Research Society Proceedings, Vol. 894, pp.55-66, 2006. DOI: 10.1557/PROC-0894-LL02-03

 

33.  山内あい子, 坂本久美子, 日比野有紀, 中馬寛, 苛原稔,

妊娠期の薬物療法~その実態と母児への影響~,

『性差と医療』, Vol.3, No.5, pp. 27(521)-32(526), 2006.

 

32. 坂本久美子, 神部順子, 中田栄子, 佐々木幹夫, 中馬寛, 山内あい子,

「妊娠と薬」に関する意識調査-薬剤師、薬学生、研究者の場合-,

『医療薬学』日本医療薬学会 薬事日報社, Vol.32, No.9, pp.956-963, 2006. 

 

2005年度

31. Shinji Amari, Masahiro Aizawa, Junwei Zhang, Kaori Fukuzawa, Yuji Mochizuki, Yoshio Iwasawa, Kotoko Nakata, Hiroshi Chuman, Tatsuya Nakano,

VISCANA: Visualized Cluster Analysis of Protein-Ligand Interaction Based on the ab initio Fragment Molecular Orbital Method for Virtual Ligand Screening.

Journal of Chemical Information and Modeling, Vol.46,No.1, pp.221-230, 2006.  DOI: 10.1021/ci050262q

 

30. Takashi Kinoshita, Zsolt Lepp, Hiroshi Chuman,

Construction of a novel database for flavonoids,

Journal of Medical Investigation, Vol.52, pp. 291-292, 2005. DOI: 10.2152/jmi.52.291 

 

29. Xiangli Liu, Hiroshi Chuman,

Determination of solute lipophilicity by reversed-phase high-performance liquid chromatography (RP-HPLC),

Journal of Medical Investigation, Vol.52, pp.293-294, 2005.  DOI: 10.2152/jmi.52.293 

 

28. Zsolt Lepp, Takashi Kinoshita, Hiroshi Chuman,

Virtual screening models for finding novel antidepressants,

Journal of Medical Investigation, Vol.52, Supplemnt Issue, pp.297-299, 2005.  DOI: 10.2152/jmi.52.297

 

27. Xiangli Liu, Hideji Tanaka, Aiko Yamauchi, Bernard Testa, Hiroshi Chuman,

Determination of lipophilicity by reversed-phase high-performance liquid chromatography: Influence of 1-octanol in the mobile phase,

Journal of Chromatography A, Vol.1091, pp.51-59, 2005.  DOI: 10.1016/j.chroma.2005.07.029   

 

26. Aiko Yamauchi, Kumiko Sakamoto, Hiroshi Chuman,

Clinical QSAR Study on the prediction of drug excretion into human breast milk,

Drug Metabolism Reviews, Vol.37, No.Supplment2, pp.330-331, 2005. 

 

25. Kazuto Sato, Hiroshi Chuman, Seiichiro Ten-no,

Comparative Study on Solvation Free Energy Expressions in Reference Interaction Site Model Integral Equation Theory,

Journal of Physical Chemistry B, Vol.109, No.36, pp.17290-17295, 2005.  DOI: 10.1021/jp053259i  

 

24. Takashi Kinoshita, Zsolt Lepp, Hiroshi Chuman,

Approach to novel functional foods for stress control 1.Toward structure-activity relationship and data mining of food compounds by chemoinformatics.

Journal of Medical Investigation, Vol.52, pp. 240-241, 2005. DOI: 10.2152/jmi.52.240 

 

23. Zsolt Lepp, Hiroshi Chuman,

Connecting Traditional QSAR and Molecular Simulations of Papain Hydrolysis-Importance of Charge Transfer,

BioorganicMedicinalChemistry, Vol.13, No.9, pp.3093-3105, 2005. DOI: 10.1016/j.bmc.2005.02.057  

 

22. Hideji Tanaka, Xiangli Liu, Daichi Kawabata, Hiroshi Chuman, Chisako Yamagami,

Application of a Stepwise Flow Ratiometry without Phase Separation to the Determination of the Chloroform/Water Distribution Coefficients of Volatile Diazines,

Chemical & pharmaceutical bulletin, Vol.53, Nov.4, pp.374-377, 2005. DOI: 10.1248/cpb.53.374

 

2004年度

21. Xiangli Liu, Hideji Tanaka, Aiko Yamauchi, Bernard Testa, Hiroshi Chuman,       

Lipophilicity Measurement by Reversed-Phase High-Performance Liquid Chromatography (RP-HPLC): A Comparison of Two Stationary Phases Based on Retention Mechanisms,

Helvetica Chimica Acta, Vol.87,No.11, pp. 2866-2876, 2004. DOI:10.1002/hlca.200490258

 

20. Hiroshi Chuman, Atsushi Mori, Hideji Tanaka, Chisako Yamagami, Toshio Fujita,

Analyses of the Partition Coefficient, Log P, using Ab Initio Mo Parameter and Accessible Surface Area of Solute Molecules,

Journal of Pharmaceutical Sciences, Vol.93, No.11, pp.2681-2697, 2004.  DOI: 10.1002/jps.20168

 

19. Eiji Takeda, Junji Terao , Yutaka Nakaya, Ken-ichi Miamoto, Yoshinobu Baba, Hiroshi Chuman, Ryuji Kaji, Tetsuro Ohmori, Kazuhito Rokutan,

Stress control and human nutrition,

The Journal of Medical Investigation, Vol.51, No.3, p.139-145, 2004. DOI: 10.2152/jmi.51.139 

 

18. Aiko Yamauchi, Eiko Nakata Doolin, Kumiko Sakamoto, Hiroki Goto, Mikio Sasaki and Hiroshi Chuman,

Construction of a drug safety information community in Japan,

Drug Metabolism Review, Vol.36, No.Suppl1, p.233, 2004.

 

17. 山内あい子, 中田栄子, 佐々木幹夫, 後藤尋規, 坂本久美子, 中馬寛,

医薬品安全性情報コミュニティの構築にむけて,

『月刊薬事』, Vol.46, No.9, pp.1675-1681, 2004.  

 

16. 浜田道昭, 馮誠, 稲垣祐一郎, 長嶋雲兵, 村上和彰, 中馬寛,

超高速計算環境での生体関連分子の活性・機能予測システムの構築:HIVプロテアーゼ阻害剤の解析への応用,

『日本応用数理学会論文誌』, Vol.14, No.4, pp.267-288, 2004. http://ci.nii.ac.jp/els/110001888780.pdf?

 

2003年度

15. Hideji Tanaka, Takahiro Tachibana, Kiriko Aritsuka, Hiroshi Chuman, 

Determination of the Chloroform / Water Distribution Coefficient of Weak Acids by a Stepwise Flow Ratiometry,

Journal of Flow Injection Analysis, Vol.20, No.1, pp.43-48, 2003. http://aitech.ac.jp/~jafia/english/index.html

 

14. Hideji Tanaka, Kiriko Aritsuka, Takahiro Tachibana, Hiroshi Chuman, Purnendu K. Dasgupta,

Determination of dissociation constants of weak acids by feedback-based flow ratiometry,

Analytica Chimica Acta, Vol.499, No.1-2, pp.199-204, 2003. DOI: 10.1016/S0003-2670(03)00530-0 

 

13. 山内あい子, 中田栄子, 中馬寛,

双方向・成長型薬物催奇形性情報コミュニティの構築, 

Journal of Computer Chemistry, Japan, Vol.2, No.3, pp.71-78, 2003. DOI: 10.2477/jccj.2.71

 

2002年度

12. Hiroshi Chuman, Atsushi Mori, Hideji Tanaka,

Prediction of Log P by Ab Initio MO Calculations: Hydrogen-Bonding Effect of Organic Solute on Log P,

Analytical Sciences, Vol.18, No.9, pp.1015-1020, 2002.  DOI: 10.2116/analsci.18.1015 

 

11. Hideji Tanaka, Yuko Yamamoto, Hiroshi Chuman,

Determination of the Distribution Coefficients of Phenol Derivatives and Others Based on a Volume Ratiometry Coupled with a Shake-Flask Metho,

Analytical Sciences, Vol.18, No.4, pp.485-487, 2002.  DOI:10.2116/analsci.18.917 

 

10. Satoru Goto, Hiroshi Chuman, Eiji Majima, Hiroshi Terada,

How does the mitochondrial ADP/ATP carrier distinguish transportable ATP and ADP from untransportable AMP and GTP? Dynamic modeling of the recognition/translocation process in the major subsrate binding region,

Biochemica et Biophysica Acta, Vol. 1589, No.2, pp.203-218, 2002. DOI: 10.1016/S0167-4889(02)00173-8

 

9. Satoru Goto, Kyoko Masuda, Miyuki Miura, Keiko Kanazawa, Miki Sasaki, Miyuki Masui, Maki Shiramizu, Hiroshi Terada, Hiroshi Chuman,

Quantitative Estimation of Interaction between Carbohydrates and Concanavalin A by Surface Plasmon Resonance Biosensor,

Chemical & Pharmaceutical Bulletin, Vol.50, No.4, pp.445-449, 2002. DOI: 10.1248/cpb.50.445

 

8. Yoshimitsu Nagao, Hitoshi Iimori, Satoru Goto, Terukage Hirata, Shigeki Sana, Hiroshi Chuman, Motoo Shiro,

Remarkable deiscrepancy in the predominant structures of acyl (or thioacy) aminothiadiazoles, acyl (or thioacyl) aminooxadiazoles and related compounds having the potential for rotational, geometrical and tautomeric isomerism,

Tetrahedron Letters,Vol.43,  No.9, pp.1709-1712, 2002. DOI: 10.1016/S0040-4039(02)00080-1

 

2001年度

7. Hideji Tanaka, Takahiro Tachibana, Hiroshi Chuman,

Determination of Distribution Coefficient by Flow Ratiometry,

Analytical Sciences, Vol.18, pp.485-487, 2002. DOI: 10.2116/analsci.18.485

 

2000年度

6. Hiroshi Chuman, Mami Karasawa, Mikio Sasaki, Umpei Nagashima, Keiitiro Nishimura, Toshio Fujita,

Tree-Dimensional Structure-Activity Relationships of Synthetic Pyrethroids: 1. Similarity in Bioactive Conformations and Their Structure-Activity Pattern,

Quantitative Structure-activity Relationships, Vol. 19, No.1,  pp.1021, 2000. DOI: 10.1002/(SICI)1521-3838(200002)19:1<10::AID-QSAR10>3.0.CO;2-7

 

5. Hiroshi Chuman, Mami Karasawa, Mikio Sasaki, Umpei Nagashima, Keiitiro, Nishimura, Toshio Fujita,

Three-Dimentional Structure-Activity Relationships of Synthetic Pyrethroids: 2. Three-Dimentional and Classical QSAR Studies,

Quantitative Structure-activity Relationships, Vol.19, No.5, PP.455466, 2000. DOI: 10.1002/1521-3838(200012)19:5<455::AID-QSAR455>3.0.CO;2-B

 

1999年度

4. Atsushi Ito, Toshihide Saisyoji, Satoru Kumazawa, Hiroshi Chuman,

Structure-Activity Relationships of the Azole Fungicide Metconazole and its Related Azolylmethylcycloalkanols,

Journal of Pesticide Science, Vol.24, No.3, pp.262269, 1999.  http://pssj2.jp/eng/journal/24/24e-262.html

 

3. Hiroshi Chuman, Mami Karasawa, Toshio Fujita, A Novel Tree Dimensional Procedure: Voronoi Field Analysis, Quantitative Structure-activity Relationships, No.17, No.4, pp.313326, 1998.

 DOI: 10.1002/(SICI)1521-3838(199808)17:04<313::AID-QSAR313>3.0.CO;2-7. 

 

2. Toshihide Saisyoji, Atsushi Ito, Satoru Kumazawa, Hiroshi Chuman,

Structure-Activity Relationships of Enantiomers of the Azole Fungicide Ipconazole and Its Related Compounds: Fungicidal and Plant Growth Inhibitory Activities,

Journal of Pesticide Science, Vol.23, pp.129136, 1998.  DOI: 10.1584/jpestics.23.129

 

1. 中馬寛, 唐沢真美, 佐々木幹夫, 長嶋雲兵,

「ピレスロイド系殺虫化合物の大規模並列配座解析と構造類似性の評価」,

J. Chem. Software, Vol.4, 143156, 1998.  http://www.sccj.net/CSSJ/jcs/v4n4/a3/textj.html