A COMPUTERIZED SPIN TRAPPING DATA BASE

计算机化自旋捕获数据库

• 批准号: 3876943
• 负责人: C F CHIGNELL
• 金额: --
• 依托单位: NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES
• 依托单位国家: 美国
• 资助国家: 美国
• 起止时间: 至
• 项目状态: 未结题
• 来源: https://reporter.nih.gov/project-details/3876943
• 关键词: chemical information system; chemical reaction; computer program /software; electron spin resonance spectroscopy; free radicals; information retrieval; information systems; nitrobenzene; nitrone; nitroso compounds; publications; pyrrolidines; toxicology information system

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 combination of any fields is accomplished by using AND, OR, NOR, and EXCEPT. Presently, STDBII (4.0) contains files for 5,5-dimethylpyrroline-N-oxide (DMPO), alpha-phenyl-N-tert-butyl nitrone (PBN), 2-methyl-2-nitrosopropane (MNP), alpha-(4pyridyl-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. Our goal is to incorporate all published work that relates to spin trapping. Presently, the database files have more than 1500 references with over 5500 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 summary on how the radical was produced and observed; 7) full bibliographic data; and 8) retraction on anything by the author. 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 package includes a user manual that lists all of the compiled information on spin trapping. Scientists who do not presently have access to an IBM/PC can still benefit from STDBII because all of the database entries are printed in the STDBII User Manual.

自旋捕获技术是研究自由电子的一种方便而有效的技术 激进的反应应用的广度从临床研究 到高能物理学。超过1500个参考该技术有 在化学文摘中积累。STDBII是一个自旋捕获数据库， 在IBM PC/AT和MacIntosh个人计算机上实现。包装 不带任何附加组件“该程序功能强大，但用户友好; 命令结构类似于熟悉的1 - 2 - 3灯条菜单;搜索 策略采用实例查询法（QBE），逻辑组合 任何字段的操作都可以使用AND、OR、NOR和EXCEPT来完成。目前， STDBII（4.0）包含5，5-二甲基吡咯啉-N-氧化物（DMPO）的文件， α-苯基-N-叔丁基硝酮（PBN），2-甲基-2-亚硝基丙烷（MNP）， α-（4-吡啶基-1-氧化物）-N-叔丁基硝酮（POBN），亚硝基杜烯（ND） 和3，5-二溴-亚硝基苯磺酸盐（DBNBS）。其他数据 流行的陷阱被包括在一个全部捕获的文件中。我们的目标是 所有与自旋捕获有关的已发表的工作。目前，数据库 文件有超过1500个引用，超过5500个参数条目。的 STDBII文件包含以下信息：1）使用的自旋陷阱; 2）捕获的自由基; 3)报告的超精细分裂; 4）溶剂; 5）g值（如报告）; 6）a 关于部首如何产生和观察的简要总结; 7）完整的 书目数据;和8）撤回任何由作者。STDBII 帮助研究人员：1）在鉴定自旋加合物，有时 独特的超精细分裂参数; 2）作为自旋捕获的关键 （3）作为一种工具，以纠正出版的错误。STDBII现在 提供给NIEHS内外的研究人员。包装 包括一个用户手册，列出了所有关于旋转的汇编信息 诱捕目前没有IBM/PC的科学家可以 我仍然受益于STDBII，因为所有的数据库条目都是打印的 STDBII用户手册。