COMPUTERIZED SPIN TRAPPING DATA BASE

工作总结：自旋捕获是一种强大而方便的技术 用于研究自由基反应。应用的广度 范围从临床研究到高能物理。参考文献1500余篇 已在《化学文摘》中积累了对该技术的了解。STDBII，一种旋转 陷井数据库，已在IBM PC/AT和MacIntosh上实现 个人电脑。该套餐的运行不带任何“附加组件”。该计划 功能强大但用户友好；命令结构类似于 熟悉的1-2-3灯条菜单；搜索策略采用 按示例查询(QBE)；任何字段的逻辑组合为 通过使用AND、OR、NOR和EXCEPT来完成。目前，STDBII(4.5) 包含5，5-二甲基-1-吡咯啉-N-氧化物(DMPO)、α-苯基- N-叔丁基硝酮(PBN)，2-甲基-2-亚硝基丙烷(MNP)，α-(4- N-叔丁基硝酮(POBN)、亚硝基(ND)和3，5-二甲基苯 二溴亚硝基苯磺酸盐(DBNBS)其他不太受欢迎的数据 陷阱包含在一个包含所有内容的文件中。目前，数据库文件 有2200多个引用和9000多个参数条目。这个 STDBII文件包含以下信息：1)使用的自旋陷阱；2)自由基 圈闭；3)报告的超细分裂；4)溶剂；5)g值，如果 报道；6)对如何产生该自由基的简要描述以及 观察；7)完整的书目数据。最新版本(STDBII，4.5) 还包含有关自旋捕获率的动力学数据以及新的 参数，NoH值(An/Ah的比率)，这已被证明是有用的 用于DMPO加合物的鉴定。STDBII帮助研究人员：1)在 从有时独特的超细中鉴定自旋加合物 分裂参数；2)作为自旋俘获文献的关键3)作为 用于更正已发布错误的工具。STDBII现在可用于 NIEHS内外的研究人员。STDBII计划已经被 已修改，以便用户可以将自己的数据添加到文件中。自旋陷阱 现在可以通过互联网访问数据库 (http://hippo.niehs.nih.gov/LMB/stdb/).)

Summary of Work: Spin trapping is a powerful and convenient technique for the study of free radical reactions. The breadth of applications ranges from clinical studies to high-energy physics. Over 1500 references to the technique have accumulated in Chemical Abstracts. STDBII, a spin trapping database, has been implemented on IBM PC/AT and MacIntosh personal computers. The package operates with no "add-ons." The program is powerful yet user-friendly; the command structure is similar to the familiar 1-2-3 light-bar menu; search strategy employs the method of Query-by-Example (QBE); logical combinations of any fields are accomplished by using AND, OR, NOR, and EXCEPT. Presently, STDBII (4.5) contains files for 5,5-dimethyl-1-pyrroline-N-oxide (DMPO), alpha-phenyl- N-tert-butyl nitrone (PBN), 2-methyl-2-nitrosopropane (MNP), alpha-(4- pyridyl-1-oxide)-N-tert-butyl nitrone (POBN), nitrosodurene (ND)and 3,5- dibromo-nitrosobenzene sulfonate (DBNBS). Data for other less popular traps are included in a catch-all file. Presently, the database files have more than 2200 references with over 9000 parameter entries. The STDBII files contain information on: 1) spin trap used; 2) radical trapped; 3) hyperfine splittings reported; 4) solvent; 5) g-value, if reported; 6) a terse description of how the radical was produced and observed; 7) full bibliographic data. The latest version (STDBII, 4.5) also contains kinetic data on spin trapping rates as well as a new parameter, the NoH value (the ratio of aN/aH), which has proved useful for the identification of DMPO adducts. STDBII helps researchers: 1) in identification of spin adducts from the sometimes unique hyperfine splitting parameters; 2) as a key to the spin trapping literature 3) as a vehicle to correct published errors. STDBII is now available to researchers both inside and outside NIEHS. The STDBII program has been modified so that users can add their own data to the files. The spin trap database is now accessible via the Internet (http://hippo.niehs.nih.gov/LMB/stdb/).