[NaH(maleate)*3H₂O]_n

• 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: [NaH(maleate)*3H₂O]_n
• 英文别名: maleic acid ; acidic sodium salt；Maleinsaeure; Saures Natriumsalz；sodium hydrogen maleate trihydrate；Sodium hydrogen maleate hydrate；sodium;(Z)-4-hydroxy-4-oxobut-2-enoate;hydrate
• 化学式: C₄H₃O₄*3H₂O*Na
• 分子量: 192.101
• InChiKey: RHZZMUCBMSWAHK-UAIGNFCESA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.46
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [NaH(maleate)*3H₂O]_n 在 sodium tungstate (VI) dihydrate sodium hydroxide 、 双氧水 作用下， 以 乙醇 为溶剂， 生成 sodium hydrogen cis-epoxysuccinate
  参考文献：
  名称：

  US5608089

  摘要：

  公开号：
• 作为产物：
  描述：

  顺丁烯二酸 在 水 、 sodium carbonate 作用下， 反应 48.5h， 以73%的产率得到[NaH(maleate)*3H₂O]_n
  参考文献：
  名称：

  Hydrothermal synthesis of a paramagnetic alkali supermolecule, its effect on catalase inhibitory by spectroscopic and theoretical investigation

  摘要：

  A sodium-based hydrogen maleate supercomplex formulated as [NaH(C4H2O4). 3H(2)O](n); Na complex (C4H2O4 = maleate) has been synthesized by a hydrothermal process at 120 degrees C for 48 h. The structure of Na complex has been investigated by elemental analysis, atomic absorption spectroscopy (AAS), Fourier-transform infrared (FT-IR) spectroscopy, thermal gravimetric analysis (TGA), differential thermal analysis (DTA), single-crystal X-ray diffraction (SC-XRD) and vibration sample magnetometer (VSM). The crystallography results revealed a triclinic structure of expected composition with space group P-1. Magnetic measurements in the applied field of +/- 15kOe revealed that Na complex has a paramagnetic behavior at room temperature. Furthermore, the thermal behavior of Na complex revealed a good stability for it. Catalase as an antioxidant enzyme plays a crucial role in the regulation of redox state. In this study, Na complex was used to investigate its effects on bovine liver catalase (BLC) and explore the underlying mechanism. Na complex interacts with BLC mainly via Van der Waals forces and hydrogen bonds. These interactions result in the decrease of BLC catalytic activity to 31%. UV-Vis, synchronous and 3D fluorescence spectral results confirmed that the prepared complex induced some structural changes of BLC. Molecular docking also revealed the specific binding mode of Na complex with BLC.

  DOI：

  10.1016/j.ica.2020.119946

文献信息

• Hydrothermal synthesis of a paramagnetic alkali supermolecule, its effect on catalase inhibitory by spectroscopic and theoretical investigation
  作者：Zohreh Razmara、Fereshteh Shiri、Somaye Shahraki

  DOI：10.1016/j.ica.2020.119946

  日期：2020.12

  A sodium-based hydrogen maleate supercomplex formulated as [NaH(C4H2O4). 3H(2)O](n); Na complex (C4H2O4 = maleate) has been synthesized by a hydrothermal process at 120 degrees C for 48 h. The structure of Na complex has been investigated by elemental analysis, atomic absorption spectroscopy (AAS), Fourier-transform infrared (FT-IR) spectroscopy, thermal gravimetric analysis (TGA), differential thermal analysis (DTA), single-crystal X-ray diffraction (SC-XRD) and vibration sample magnetometer (VSM). The crystallography results revealed a triclinic structure of expected composition with space group P-1. Magnetic measurements in the applied field of +/- 15kOe revealed that Na complex has a paramagnetic behavior at room temperature. Furthermore, the thermal behavior of Na complex revealed a good stability for it. Catalase as an antioxidant enzyme plays a crucial role in the regulation of redox state. In this study, Na complex was used to investigate its effects on bovine liver catalase (BLC) and explore the underlying mechanism. Na complex interacts with BLC mainly via Van der Waals forces and hydrogen bonds. These interactions result in the decrease of BLC catalytic activity to 31%. UV-Vis, synchronous and 3D fluorescence spectral results confirmed that the prepared complex induced some structural changes of BLC. Molecular docking also revealed the specific binding mode of Na complex with BLC.
• US5608089
  申请人：——

  公开号：——

  公开（公告）日：——