A COMPUTERIZED SPIN TRAPPING DATA BASE

自旋俘获是研究自由电子的一种强大而方便的技术 激进的反应。应用范围广泛，从临床应用 研究高能物理。超过1500篇关于这项技术的参考文献 收录于《化学文摘》。自旋捕获数据库STDBII拥有 已在IBM PC/AT和MacIntosh个人计算机上实现。这个 该程序包运行时不会添加任何“附加组件”。该程序功能强大，但用户- 友好；指挥结构类似于熟悉的1-2-3灯条 菜单；搜索策略采用逐例查询(QBE)的方法；逻辑 任何字段的组合都可以使用AND、OR、NOR、AND来完成 除了。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，α-(4-吡啶-1-氧化物)-N-叔丁基 亚硝酮(POBN)、亚硝烯(ND)和3，5-二溴亚硝基苯磺酸盐 (DBNBS)。其他不太受欢迎的陷阱的数据包括在一个包罗万象中 文件。目前，数据库文件有2000多个引用，其中 超过8800个参数条目。STDBII文件包含以下信息：1) 使用自旋陷阱；2)自由基陷阱；3)报告的超精细分裂；4) 溶剂；5)g值，如果报告；6)对自由基如何 7)完整的书目资料。最新版本 (STDBII，4.5)还包含自旋捕获率的动力学数据以及 一个新的参数，能值(An/Ah之比)，它已经证明 可用于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，以及3) 作为纠正已发布错误的工具。STDBII现在可用于 NIEHS内外的研究人员。该包包括一个用户 这本手册列出了所有关于自旋陷阱的汇编信息。 目前无法使用计算机的科学家仍然可以受益 因为所有数据库条目都打印在STDBII中 用户手册。

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 2000 references with over 8800 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, and 3) as a vehicle to correct published errors. STDBII is now available to researchers both inside and outside NIEHS. The package includes a user manual that lists all of the compiled information on spin trapping. Scientists who do not presently have access to a computer can still benefit from STDBII because all of the database entries are printed in the STDBII User Manual.