Gd citrate tetrahydrate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Gd citrate tetrahydrate
• 英文别名: Gadolinium(3+);2-hydroxypropane-1,2,3-tricarboxylate;hydrate；gadolinium(3+);2-hydroxypropane-1,2,3-tricarboxylate;hydrate
• 化学式: C₆H₅O₇*Gd*4H₂O
• 分子量: 418.413
• InChiKey: BQEOEVVFWYLBOH-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -6.08
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Gd citrate tetrahydrate 以 neat (no solvent, solid phase) 为溶剂， 生成 gadolinium(III) oxide
  参考文献：
  名称：

  Gadolinium and Neodymium Citrates:  Evidence for Weak Ferromagnetic Exchange between Gadolinium(III) Cations

  摘要：

  A new lanthanide citrate motif of general formula [Ln(Hcit)(H2O)(2)center dot H2O](n), where Ln = Gd (1) and Nd (2) and HCit(3-)= C(OH)(COO-)(CH2COO-)(2), has been synthesized hydrothermally from Ln(2)O(3) and citric acid at 100 degrees C and characterized by elemental analysis, IR, TG-DTA, single-crystal X-ray diffraction, and magnetic measurements. The structures can be seen as "ladder chains" along the a axis, with dinuclear Ln(2)O(2) units serving as "steps" and R-COO groups as "uprights", which are connected by H bonds. The magnetic susceptibility between 2 and 300 K and the magnetization at 2 K, as a function of magnetic field between 0 and 5 T, were measured for both compounds, By modeling the magnetic behavior of the Gd compound with a dinuclear Hamiltonian Hs = g mu(B)(S-A + S-B)B-o - J(o)S(A)S(B) (S-A = S-B = 7/2), a ferromagnetic exchange interaction J(o) = 0.039 cm(-1) was evaluated between Gd ions situated at do = 4.321 A in dinuclear units bridged by two symmetry-related tridentate carboxylate oxygens. The EPR spectrum of the Gd compound is discussed. The temperature dependence of the susceptibility of the Nd compound is caused by the depopulation of the excited crystal-field levels when the temperature decreases. The magnetic-field dependence of the magnetization of 2 is attributed to the ground-state Kramers' doublet populated at 2 K. The g factor of this ground-state doublet is calculated from the data and compared with values for other compounds reported in the literature.

  DOI：

  10.1021/ic0510056
• 作为产物：
  描述：

  氯化钆 、 sodium citrate 生成 Gd citrate tetrahydrate
  参考文献：
  名称：

  Babeshkina, Z. M.; Martynenko, L. I.; Grigor'ev, A. I., Zhurnal Neorganicheskoi Khimii, 1966, vol. 11, p. 685 - 690

  摘要：

  DOI：

文献信息

• Tricarboxylate-based Gd^III coordination polymers exhibiting large magnetocaloric effects
  作者：Sui-Jun Liu、Chen Cao、Chen-Chao Xie、Teng-Fei Zheng、Xiao-Lan Tong、Jin-Sheng Liao、Jing-Lin Chen、He-Rui Wen、Ze Chang、Xian-He Bu

  DOI：10.1039/c6dt01349j

  日期：——

  Two GdIII coordination polymers with the formula [Gd(cit)(H2O)]∞ (1) and [Gd(nta)(H2O)2]∞ (2) (H4cit = citric acid, H3nta = nitrilotriacetic acid) have been successfully prepared under hydrothermal conditions. Complex 1 exhibits a three-dimensional (3D) structure based on carboxylate-bridged layers, while complex 2 is a double-layer structure containing eight-coordinated GdIII. Magnetic investigations

  两种具有式[Gd（cit）（H 2 O）] ∞（1）和[Gd（nta）（H 2 O）2 ] ∞（2）的Gd III配位聚合物（H 4 cit =柠檬酸，H 3已在水热条件下成功制备了nta =次氮基三乙酸）。配合物1表现出基于羧酸盐桥接层的三维（3D）结构，而配合物2是包含八配位的Gd III的双层结构。磁性研究表明，相邻的Gd III之间弱的反铁磁耦合Weiss值不同的1和2中的离子会产生较大的低温磁热效应。值得注意的是，最大熵的变化（-Δ小号最大米的）1和2到达31.3Ĵ千克-1 ķ -1和32.2Ĵ千克-1 ķ -1在2 K代表中等场变化（Δ ħ = 3 T），和显着的-Δ š最大米（41.5Ĵ千克-1 ķ -1为1和42.0Ĵ千克-1 ķ -1为2）可以针对ΔH = 7 T获得。
• Magnetic resonance contrast-enhancing agents and method for detecting and imaging artherosclerotic plaque
  申请人：——

  公开号：US20040265235A1

  公开（公告）日：2004-12-30

  Magnetic resonance (“MR”) contrast-enhancing agents comprise poly(amino acid) backbone chain conjugated to chelating moieties that comprise a plurality of carboxylic acid groups that form coordination complexes with paramagnetic ions. A method for detecting atherosclerotic plaque areas comprises administering at least one of these contrast agents into a subject; and obtaining and comparing MR images of and MR signals from the plaque areas before and after administering the contrast agent. The method can be used to assess an effectiveness of a prescribed course of treatment for atherosclerosis.

  磁共振（"MR"）造影剂包括与螯合分子共轭的聚（氨基酸）骨架链，螯合分子包括多个羧酸基团，这些羧酸基团与顺磁离子形成配位络合物。检测动脉粥样硬化斑块区域的方法包括：向受试者施用至少一种此类造影剂；以及获取并比较施用造影剂前后斑块区域的磁共振图像和磁共振信号。该方法可用于评估动脉粥样硬化规定疗程的有效性。
• Target-specific activatable polymeric imaging agents
  申请人：Uzgiris Edward Egidijus

  公开号：US20050036947A1

  公开（公告）日：2005-02-17

  A target-specific image-enhancing agent for medical imaging comprises an extended poly(amino acid), wherein at least 90 percent of the amino acid residues are conjugated to signal-generating moieties attached to signal-controlling moieties via bonds that are cleavable by a physiological substance produced by the target. The image-enhancing agent becomes activated when the bonds is cleaved by the physiological substance. The image-enhancing agent is used in detecting and/or diagnosing a disease that is characterized by an overproduction of the substance.

  一种用于医学成像的靶标特异性图像增强剂由扩展聚氨基酸组成，其中至少 90% 的氨基酸残基通过可被靶标产生的生理物质裂解的键与连接到信号控制分子的信号产生分子共轭。当这些键被生理物质裂解时，图像增强剂就会被激活。图像增强剂可用于检测和/或诊断以该物质过度产生为特征的疾病。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sc: MVol.D5, 1.6.1.2, page 352 - 356
  作者：

  DOI：——

  日期：——
• [EN] MAGNETIC RESONANCE CONTRAST-ENHANCING AGENTS AND METHOD FOR DETECTING AND IMAGING ARTHEROSCLEROTIC PLAQUE<br/>[FR] AGENTS D'AMELIORATION DU CONTRASTE EN RESONANCE MAGNETIQUE POUR DETECTER ET METTRE EN IMAGES UNE PLAQUE D'ATHEROSCLEROSE
  申请人：GEN ELECTRIC

  公开号：WO2005004992A2

  公开（公告）日：2005-01-20

  Magnetic resonance ('MR') contrast-enhancing agents comprise poly(amino acid) backbone chain conjugated to chelating moieties (33) that comprise a plurality of carboxylic acid groups that form coordination complexes with paramagnetic ions. A method for detecting atherosclerotic plaque areas comprises administering at least one of these contrast agents into a subject; and obtaining and comparing MR images of and MR signals from the plaque areas before and after administering the contrast agent. The method can be used to assess an effectiveness of a prescribed course of treatment for atherosclerosis.