α-lipoic acid anhydride | 91319-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: α-lipoic acid anhydride
• 英文别名: α-lipoic anhydride；lipoic acid anhydride；thioctic acid anhydride；LAA；5-(Dithiolan-3-yl)pentanoyl 5-(dithiolan-3-yl)pentanoate
• CAS: 91319-83-4
• 化学式: C₁₆H₂₆O₃S₄
• 分子量: 394.645
• InChiKey: OUDCBJYUFUWJOD-UHFFFAOYSA-N

物化性质

• 沸点：
  513.4±19.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  145
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  α-lipoic acid anhydride 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 1-[11-(lipoyloxy)-undecyl]-pyridinium bromide
  参考文献：
  名称：

  Effects of fMRI–EEG mismatches in cortical current density estimation integrating fMRI and EEG: A simulation study

  摘要：

  Objective: Multimodal functional neuroimaging by combining functional magnetic resonance imaging (fMRI) and electroencephalography (EEG) has been studied to achieve high-resolution reconstruction of the spatiotemporal cortical current density (CCD) distribution. However, mismatches between these two imaging modalities may occur due to their different underlying mechanisms. The aim of the present study is to investigate the effects of different types of fMRI-EEG mismatches, including fMRI invisible sources, fMRI extra regions and fMRI displacement, on the fMRI-constrained cortical imaging in a computer simulation based on realistic-geometry boundary-element-method (BEM) model.Methods: Two methods have been adopted to integrate the synthetic fMRI and EEG data for CCD imaging. In addition to the well-known 90% fMRI-constrained Wiener filter approach (Liu AK, Belliveau JW, Dale AM. PNAS 1998;95:8945-8950.), we propose a novel two-step algorithm (referred to as 'Twomey algorithm') for fMRI-EEG integration. In the first step, a 'hard' spatial prior derived from fMRI is imposed to solve the EEG inverse problem with a reduced source space; in the second step, the fMRI constraint is removed and the source estimate from the first step is re-entered as the initial guess of the desired solution into an EEG least squares fitting procedure with Twomey regularization. Twomey regularization is a modified Tikhonov technique that attempts to simultaneously minimize the distance between the desired solution and the initial estimate, and the residual errors of fitness to EEG data. The performance of the proposed Twomey algorithm has been evaluated both qualitatively and quantitatively along with the lead-field normalized minimum norm (WMN) and the 90% fMRI-weighted Wiener filter approach, under repeated and randomized source configurations. Point spread function (PSF) and localization error (LE) are used to measure the performance of different imaging approaches with or without a variety of fMRI-EEG mismatches. Results: The results of the simulation show that the Twomey algorithm can successfully reduce the PSF of fMRI invisible sources compared to the Wiener estimation, without losing the merit of having much lower PSF of fMRI visible sources relative to the WMN solution. In addition, the existence of fMRI extra sources does not significantly affect the accuracy of the fMRI-EEG integrated CCD estimation for both the Wiener filter method and the proposed Twomey algorithm, while the Twomey algorithm may further reduce the chance of occurring spurious sources in the extra fMRI regions. The fMRI displacement away from the electrical source causes enlarged localization error in the imaging results of both the Twomey and Wiener approaches, while Twomey gives smaller LE than Wiener with the fMRI displacement ranging from 1-2 cm. With less than 2 cm fMRI displacement, the LEs for the Twomey and Wiener approaches are still smaller than in the WMN solution.Conclusions: The present study suggests that the presence of fMRI invisible sources is the most problematic factor responsible for the error of fMRI-EEG integrated imaging based on the Wiener filter approach, whereas this approach is relatively robust against the fMRI extra regions and small displacement between fMRI activation and electrical current sources. While maintaining the above advantages possessed by the Wiener filter approach, the Twomey algorithm can further effectively alleviate the underestimation of fMRI invisible sources, suppress fMRI spurious sources and improve the robustness against fMRI displacement. Therefore, the Twomey algorithm is expected to improve the reliability of multimodal cortical source imaging against fMRI-EEG mismatches.Significance: The proposed method promises to provide a useful alternative for multimodal neuroimaging integrating fMRI and EEG. (c) 2006 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

  DOI：

  10.1016/j.clinph.2006.03.031
• 作为产物：
  描述：

  Thioctic acid 在 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 α-lipoic acid anhydride
  参考文献：
  名称：

  Silver nanoparticles with pH induced surface charge switchable properties for antibacterial and antibiofilm applications

  摘要：

  制备了具有pH诱导表面电荷转化活性的银纳米颗粒，显示出增强的抗菌和抗生物膜效率，同时对哺乳动物细胞的细胞毒性降低。

  DOI：

  10.1039/c8tb02917b

文献信息

• Tetraurea calix[4]arenes with sulfur functions: synthesis, dimerization to capsules, and self-assembly on gold
  作者：Songbo Xu、Ganna Podoprygorina、Volker Böhmer、Zhifeng Ding、Patrick Rooney、Chitra Rangan、Silvia Mittler

  DOI：10.1039/b616358k

  日期：——

  Various calix[4]arene derivatives, fixed in the cone conformation by decylether groups and functionalized at their wide rim by urea residues, were synthesized. In two compounds (,) sulfur functions were attached to the urea groups via different spacers in order to allow binding to metal surfaces. While they exist as single molecules in polar solvents, tetraurea calix[4]arenes of this type () combine

  合成了各种杯芳烃[4]芳烃衍生物，它们通过癸醚基团固定在圆锥构象中，并在宽边上被尿素残基官能化。在两种化合物中，硫官能团通过不同的间隔基连接到脲基上，以便与金属表面结合。虽然它们以单分子形式存在于极性溶剂中，但这类四脲杯[4]芳烃在非质子传递性非极性溶剂中结合形成二聚体胶囊。如果不存在具有更高亲和力的客体，则溶剂分子通常包含在这种胶囊中。在等摩尔量的四甲苯脲的存在下，观察到异二聚体的排他性形成，该异二聚体由1个分子的和组成。新制备的衍生物的均二聚和异二聚化，用1 H NMR研究了H 2 O 3，以确定它们表现出所需的二聚行为的条件。使用单个杯[4]芳烃和异二聚体胶囊形成自组装单层（SAMs）。在这些固定的异二聚体胶囊中，使用氯仿，二氯甲烷和二茂铁阳离子作为客体。异二聚体的特定超分子结构应确保在固定在金属表面上之后，胶囊的分解以及客体的释放或交换是不可能的或至少是受阻碍的。用表面等离激元光谱
• Polymerized liposomes formed under extremely mild conditions
  作者：Andrzej. Sadownik、James. Stefely、Steven L. Regen

  DOI：10.1021/ja00284a050

  日期：1986.11

  potential biodegradability, 1 promises to become the polymerizable lipid of choice for a wide variety of mechanistic and practical applications. Results and Discussion Synthesis of 1. Scheme I summarizes the synthetic route which has been employed in the preparation of 1. Esterification of the (1 ) Supported by PHS Grant CA 42065 awarded by the National Cancer Institute and by The National Science Foundation

  本文描述了 1,2-双 [t2-(脂酰氧基)十二烷酰基]-sn-甘油-3-磷酸胆碱 (1) 的有效合成及其在极其温和的条件下构建高度稳定的聚合脂质体的用途。甘油磷酰胆碱与 12-（四氢吡喃氧基）十二烷酸的酯化反应得到相应的磷脂酰胆碱；随后的脱保护提供 1,2-双（12-羟基十二烷酰基）-sn-甘油-3-磷酸胆碱 (2)。2 与 DL1,2-dithiolane-3-pentanoic (lipoic) 酸酐的酯化产生 43% 的 1 总产率。 将 1 的乙醇溶液注入 10 mM 硼酸盐缓冲液 (pH 8.5) 并用 10 mol % 二硫苏糖醇处理在 27 OC 产生聚合脂质体，其在 1% 十二烷基硫酸钠存在下完全稳定。在过去的 6 年里，大量的合成工作集中在脂质双层囊泡的聚合形式的制备上。^ 基于磷脂的系统（脂质体 4），特别是由于它们与生物膜的密切结构关系而引起了特别关注 5 以最大限
• 基于末端含硫辛酰基星型聚合物的纳米药物
  申请人：苏州大学张家港工业技术研究院

  公开号：CN108392471B

  公开（公告）日：2020-06-16

  本发明公开了一种基于末端含硫辛酰基星型聚合物的纳米药物。侧链含硫辛酰基的星型聚合物通过酯化反应得到，LA取代度可控具有优异的生物相容性，可用于控制药物释放体系，制备的癌症靶向的还原敏感可逆交联的聚合物纳米粒子纳米药物支持体内稳定长循环，但在癌组织高富集并高效进入细胞，在细胞内快速解交联、释放出药物，高效特异性地杀死癌细胞，有效抑制了癌症的生长而不造成毒副作用。
• Multi-Acting Mitochondria-Targeted Platinum(IV) Prodrugs of Kiteplatin with α-Lipoic Acid in the Axial Positions
  作者：Salvatore Savino、Cristina Marzano、Valentina Gandin、James Hoeschele、Giovanni Natile、Nicola Margiotta

  DOI：10.3390/ijms19072050

  日期：——

  Platinum(II) drugs are activated intracellularly by aquation of the leaving groups and then bind to DNA, forming DNA adducts capable to activate various signal-transduction pathways. Mostly explored in recent years are Pt(IV) complexes which allow the presence of two additional ligands in the axial positions suitable for the attachment of other cancer-targeting ligands. Here we have extended this strategy

  铂（II）药物通过离去基团的活化在细胞内被激活，然后与DNA结合，形成能够激活各种信号转导途径的DNA加合物。近年来最受关注的是Pt（IV）配合物，该配合物允许在轴向位置存在两个其他配体，这些配体适合于其他靶向癌症的配体的连接。在这里，我们通过协调基铂（[PtCl2（cis-1,4-DACH）]，DACH =二氨基环己烷）和其CBDCA（1,1-环丁烷二羧酸酯）类似物抗氧化剂α-硫辛酸（ ALA），是线粒体丙酮酸脱氢酶激酶（PDK）的抑制剂。新化合物（cis，trans，cis- [Pt（CBDCA）（ALA）2（cis-1,4-DACH）]，2，and cis，trans，cis- [PtCl2（ALA）2（cis-1， 4-DACH）]，3），细胞内还原后，释放前体Pt（II）物种和两个ALA分子。Pt残基能够靶向DNA，而ALA可以作为丙酮酸脱氢酶复合物的激活剂作用于线粒体，从而抑制
• Highly efficient agents for dispersion of nanoparticles in matrix materials
  申请人：Hawker Craig J.

  公开号：US20090299003A1

  公开（公告）日：2009-12-03

  Dendritic macroinitiator compositions are provided comprising a compound of the general formula, Fx-[G-n]-I, where F is the chain end functional group of the dendrimer, x is the number of chain end functional groups, G is the dendrimer, n is the generation number of the dendrimer, and I is the initiating group. Hybrid dendritic-linear copolymers made from these macroinitiator can act as highly efficient dispersing agents for a range of nanoparticles in matrix materials.

  提供了树突型大分子引发剂组合物，包括一般公式Fx-[G-n]-I的化合物，其中F是树状分子的链端官能团，x是链端官能团的数量，G是树状分子，n是树状分子的代数，I是引发基团。由这些宏观引发剂制成的混合树状-线性共聚物可以作为高效的分散剂，将一系列纳米颗粒分散在基质材料中。