Building of the equation predict an optimal condition for drug analysis in biological sample

• Project/Area Number: 24590850
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Legal medicine
• Research Institution: The University of Tokyo
• Principal Investigator: SAKA Kanju 東京大学, 医学(系)研究科(研究院), 技術専門職員 (30447388)
• Co-Investigator(Renkei-kenkyūsha): YOSHIDA Ken-ichi 東京医科大学, 医学科, 教授 (40166947) ; SHINTANI Kaori (ISHIDA Kaori) 京都府立医科大学, 大学院医学研究科, 准教授 (50345047)
• Project Period (FY): 2012-04-01 – 2015-03-31
• Project Status: Completed (Fiscal Year 2014)
• Budget Amount: ¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000); Fiscal Year 2014: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000); Fiscal Year 2013: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000); Fiscal Year 2012: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
• Keywords: 薬毒物分析 / 定量的構造物性（活性）相関 / 予測モデル / 法医学 / 生体試料 / 液-液抽出 / 回収率 / 構造物性相関

Outline of Final Research Achievements

We developed the predictive model for the phenomenon "matrix enhancement effect" in gas chromatography-mass spectrometry. The model was built using quantitative structure-property relationship (QSPR). The predictive equation allows the matrix-effect prediction without experimental measurements. In addition, the parameters such as "the number of H-bond donors" and "molecular volume" were found to be significant in this phenomenon.

Research Products

• [Journal Article] A case of fatal intoxication due to the new designer drug 25B-NBOMe (2015)
  • Author(s): Ken-ichi Yoshida, Kanju Saka, Kaori Shintani-Ishida, Hideyuki Maeda, Makoto Nakajima, Shu-ichi Hara, Masahide Ueno, Katsunori Sasaki, Hirotaro Iwase, Tetsuya Sakamoto
  • Journal Title: Forensic Toxicology Volume: 印刷中 Issue: 2 Pages: 396-401
  • DOI: 10.1007/s11419-015-0276-7
  • Peer Reviewed
• [Journal Article] MDMA induces cardiac contractile dysfunction through autophagy upregulation and lysosome destabilization in rats (2014)
  • Author(s): Shintani-Ishida K, Saka K, Yamaguchi K, Hayashida M, Nagai H, Takemura G, Yoshida K
  • Journal Title: Biochimca et Biophysica Acta Volume: 1842 Issue: 5 Pages: 691-700
  • DOI: 10.1016/j.bbadis.2014.01.013
  • Peer Reviewed
• [Journal Article] Rapid and simultaneous extraction of acidic and basic drugs from human whole blood for reliable semi-quantitative NAGINATA drug screening by GC-MS (2014)
  • Author(s): Kudo K, Usumoto Y, Usui K, Hayashida M, Kurisaki E, Saka K, Tsuji A, Ikeda N
  • Journal Title: Forensic Toxicology Volume: 32 Issue: 1 Pages: 97-104
  • DOI: 10.1007/s11419-013-0215-4
  • Peer Reviewed
• [Journal Article] Sudden death after sustained restraint following self-administration of the designer drug α-pyrrolidinovalerophenone (2014)
  • Author(s): Nagai H, Saka K, Nakajima M, Maeda H, Kuroda R, Igarashi A, Tsujimura-Ito T, Nara A, Komori M, Yoshida K
  • Journal Title: International Journal of Cardiology Volume: 172 Issue: 1 Pages: 263-265
  • DOI: 10.1016/j.ijcard.2013.12.262
  • Peer Reviewed
• [Journal Article] Relationship between the matrix effect and the physicochemical properties of analytes in gas chromatography (2013)
  • Author(s): Saka K, Kudo K, Hayashida M, Kurisaki E, Niitsu H, Terada M, Yamaguchi K, Yoshida K
  • Journal Title: Analytical and Bioanalytical Chemistry Volume: 405 Issue: 30 Pages: 9879-9888
  • DOI: 10.1007/s00216-013-7433-9
  • Peer Reviewed
• [Journal Article] Acute fatal poisoning with Tolfenpyrad (2013)
  • Author(s): Hikiji W, Yamaguchi K, Saka K, Hayashida M, Ohno Y, Fukunaga T
  • Journal Title: Journal of Forensic and Legal Medicine Volume: 20 Issue: 8 Pages: 962-964
  • DOI: 10.1016/j.jflm.2013.08.012
  • Peer Reviewed
• [Journal Article] An autopsy case of acute carbon monoxide poisoning with fatal hypnotic drugs in the blood (2013)
  • Author(s): Fujii Y, Funakoshi T, Uchida K, Watanabe M, Saka K, Uemura K
  • Journal Title: International Medical Journal Volume: 20 Pages: 587-588
  • Peer Reviewed
• [Journal Article] Small focal coagulation necrosis in the myocardium of a young methamphetamine user (2013)
  • Author(s): Kuroda R, Nakajima M, Nagai H, Maeda H, Kashima J, Saka K, Shintani-Ishida K, Igarashi A, Yoshida K
  • Journal Title: International Journal of Cardiology Volume: 164 Issue: 1 Pages: e5-e6
  • DOI: 10.1016/j.ijcard.2012.09.145
  • Peer Reviewed
• [Journal Article] Analysis of tolfenpyrad and its metabolites in plasma in a tolfenpyrad poisoning case (2012)
  • Author(s): Yamaguchi K, Hikiji W, Takino M, Saka K, Hayashida M, Fukunaga T, Ohno Y
  • Journal Title: Journal of Analytical Toxicology Volume: 36 Issue: 7 Pages: 529-537
  • DOI: 10.1093/jat/bks060
  • Peer Reviewed
• [Presentation] 危険ドラッグ25B-NBOMe中毒例における血中濃度の経時測定 (2015)
  • Author(s): 坂 幹樹
  • Organizer: 第99次日本法医学会学術全国集会
  • Place of Presentation: 高知市文化プラザ かるぽーと（高知県高知市）
  • Year and Date: 2015-06-12
• [Presentation] MDMA及びその活性代謝物（DHMA, DHA）のLC-MS/MS同時定量のための前処理法の検討
  • Author(s): 坂幹樹, 新谷香, 山口晃志, 林田眞喜子, 大野曜吉, 吉田謙一
  • Organizer: 第82回 日本法医学会学術関東地方会
  • Place of Presentation: 横浜市 はまぎんホール ヴィアマーレ
• [Book] 薬毒物情報インデックス (2014)
  • Author(s): 鈴木修、大野曜吉、須崎紳一郎、花尻（木倉）瑠璃、林田眞喜子、工藤恵子、栗崎恵美子、新津ひさえ、寺田賢、梶原正弘、斉藤剛、奈女良昭、福家千昭、石井晃、坂幹樹、他
  • Total Pages: 716
  • Publisher: 日本医事新報社
• [Remarks] 東大法医学教室Webpage
  • URL: http://plaza.umin.ac.jp/~forensic/