MOLECULAR STRUCTURE OF N-ACETYL CYSTEINE METAL COMPLEXES

N-乙酰半胱氨酸金属配合物的分子结构

• 批准号: 8170323
• 负责人: FARIDEH JALILEHVAND
• 金额: $ 0.03万
• 依托单位: STANFORD UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-05-01 至 2011-02-28
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8170323
• 关键词: Acetylcysteine; Anti-Inflammatory Agents; Anti-inflammatory; Antioxidants; Chelating Agents; Complex; Computer Retrieval of Information on Scientific Projects Database; Cysteine; Data Analyses; Drug Metabolic Detoxication; Excretory function; Funding; Goals; Grant; Heavy Metals; Institution; Ions; Metals; Methods; Molecular Structure; Nuclear; Penicillamine; Physiological; Principal Component Analysis; Research; Research Personnel; Resources; Solutions; Source; Structure; Techniques; Testing; Trace Elements; United States National Institutes of Health; absorption; aqueous; base; improved; metal complex; metal poisoning; solid state

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. N-acetyl-L-cysteine (NAC), a natural antioxidant, improves the efficiency of chelating agents used against heavy metal poisoning and facilitates the excretion of Cr(III), Cd(II) and Pb(II), but not of Hg(II). Recent bio-tests on NAC complexes with transition biometals (Zn2+, Co2+, Co3+, Fe2+) showed significant anti-inflammatory activity. The goal of our proposed research is to study the structure of NAC complexes with heavy metals, and transition biometals, in solid state and in aqueous solution at physiological pH and pH = 8.5, using different [NAC]/[Mn+] ratios and [Mn+] = 10 and 100 mM. In this study, we will combine the results from different spectroscopic techniques, such as extended x-ray-absorption fine structure (EXAFS), multi-nuclear NMR, Raman and IR, to identify the local structure around the central metal ion in these complexes. We will use the method that we have developed for EXAFS data analysis of mixtures for similar Cd(II), Hg(II) and Pb(II) complexes with cysteine and penicillamine (3,3'-dimethyl cysteine), including Principal Component Analysis (PCA) of the EXAFS spectra. The aim of the current study is to provide a basis for better understanding of the detoxification treatments and the anti-inflammatory activities with the use of cysteine derivatives as complex-forming agents.

该子项目是利用该技术的众多研究子项目之一 资源由 NIH/NCRR 资助的中心拨款提供。子项目和 研究者 (PI) 可能已从 NIH 的另一个来源获得主要资金， 因此可以在其他 CRISP 条目中表示。列出的机构是 对于中心来说，它不一定是研究者的机构。 N-乙酰基-L-半胱氨酸 (NAC) 是一种天然抗氧化剂，可提高螯合剂对抗重金属中毒的效率，并促进 Cr(III)、Cd(II) 和 Pb(II) 的排泄，但不促进 Hg(II) 的排泄。最近对 NAC 与过渡生物金属（Zn2+、Co2+、Co3+、Fe2+）复合物的生物测试显示出显着的抗炎活性。我们提出的研究的目标是研究 NAC 与重金属和过渡生物金属的复合物的结构，在固态和在生理 pH 和 pH = 8.5 的水溶液中，使用不同的 [NAC]/[Mn+] 比率和 [Mn+] = 10 和 100 mM。在本研究中，我们将结合不同光谱技术的结果，例如扩展 X 射线吸收精细结构 (EXAFS)、多核核磁共振、拉曼和红外，来识别这些配合物中中心金属离子周围的局部结构。我们将使用我们开发的方法对类似的 Cd(II)、Hg(II) 和 Pb(II) 与半胱氨酸和青霉胺（3,3'-二甲基半胱氨酸）的混合物进行 EXAFS 数据分析，包括 EXAFS 光谱的主成分分析 (PCA)。本研究的目的是为更好地了解使用半胱氨酸衍生物作为复合物形成剂的解毒治疗和抗炎活性提供基础。