In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) o...In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) or N-methyl- 2-pyrrolidone(NMP) on solvothermal synthesis of [Zn4O(BDC)3]8 were investigated through a combined DFT and experimental study. XRD and SEM showed that the absorbability of NMP in the pore of [Zn4O(BDC)3]8 was weaker than that of DMF. The thermal decomposition temperature of [Zn4O(BDC)3]8 synthesized in DMF was higher than that in NMP according to TG and FT-IR. In addition, the nitrogen sorption isotherms indicated that NMP improved gas sorption property of [Zn4O(BDC)3]8. The COSMO optimized calculations indicated that the total energy of Zn4O(BDC)3 in NMP was higher than that in DMF, and compared with non-solvent system, the charge of zinc atoms decreased and the charge value was the smallest in NMP. Furthermore, the interaction of DMF, NMP or DEF in [Zn4O(BDC)3]8 crystal model was calculated by DFT method. The results suggested that NMP should be easier to be removed from pore of materials than DMF from the point of view of energy state. It can be concluded that NMP was a favorable solvent to synthesize [Zn4O(BDC)3]8 and the microscopic mechanism was that the binding force between Zn4O(BDC)3 and NMP molecule was weaker than DMF.展开更多
目的 8 异前列腺素F2α(8 iso PGF2α)是一种敏感、特异性反映缺血 再灌注后氧自由基增加的生 化指标。抗氧化剂N 乙酰半胱氨酸(NAC)具有清除氧自由基的作用。本研究旨在分析实验性心肌缺血大鼠血浆 与心肌8 iso PGF2α相关性以及...目的 8 异前列腺素F2α(8 iso PGF2α)是一种敏感、特异性反映缺血 再灌注后氧自由基增加的生 化指标。抗氧化剂N 乙酰半胱氨酸(NAC)具有清除氧自由基的作用。本研究旨在分析实验性心肌缺血大鼠血浆 与心肌8 iso PGF2α相关性以及NAC的治疗效果,探讨血浆8 iso PGF2α反映心肌氧自由基损伤程度的可能性和 NAC的干预效果。方法 45只雄性成年Wistar大鼠随机分为3组(每组15只):对照组、缺血组和NAC组。缺血 组和NAC组腹腔注射垂体后叶素(20U/kg)制成大鼠急性心肌缺血模型,以心电图上ST段的抬高作为心肌缺血 的指标。对照组仅腹腔注射生理盐水。NAC组缺血前2周开始用NAC(每日0.1g/kg)灌胃,共3周。应用ELISA 方法测定各组大鼠血浆及心肌组织8 iso PGF2α含量。结果 缺血组大鼠的血浆和心肌组织含量分别为(187.1± 45.8)pg/mL和(259.3±47.5)pg/g,明显高于正常对照组(60.4±13.7)pg/mL和(88.6±16.9)pg/g (P<0.01);NAC组的血浆和心肌组织8 iso PGF2α含量为(88.2±16.4)pg/mL和(109.4±24.7)pg/g明显低于 缺血组(P<0.01)。血浆与心肌8 iso PGF2α水平相关(r=0.856,P<0.01)。与正常组比较,缺血组的心电图 ST段明显抬高(心肌缺血45min时抬高最为明显,达0.34±0.05mV)(P<0.05);展开更多
The interaction of water-soluble P-(N,N-dimethylaminomethyl)-calix[8]arene(CX8)with calf thymus DNA was studied using neutral red(NR) as a probe by uv-vis spectroscopy.The effect factors such as the pH of solution and...The interaction of water-soluble P-(N,N-dimethylaminomethyl)-calix[8]arene(CX8)with calf thymus DNA was studied using neutral red(NR) as a probe by uv-vis spectroscopy.The effect factors such as the pH of solution and ionic strength on the spectra were also investigated.The interaction mechanism was proposed.The results show that the strong electrostatic interaction between DNA and CX8 existed,on the one hand,the oxyphosphate anion of DNA can be neutralized by CX8 partally,which induced the contraction of DNA and the conformational change of DNA,which led to release NR from NDA partially.On the other hand,the CX8 can also compete the electrostatic sites with NR directly.展开更多
基金Project(51104185)supported by the National Natural Science Foundation of ChinaProject(2010QZZD003)supported by the Key Project of Central South University of Fundamental Research Funds for the Central Universities of China
文摘In order to explore the effect mechanism of solvent on the synthesis of the metal organic framework materials, the microscopic interaction between solvent and framework and the effects of N,N-dimethyl-formamide(DMF) or N-methyl- 2-pyrrolidone(NMP) on solvothermal synthesis of [Zn4O(BDC)3]8 were investigated through a combined DFT and experimental study. XRD and SEM showed that the absorbability of NMP in the pore of [Zn4O(BDC)3]8 was weaker than that of DMF. The thermal decomposition temperature of [Zn4O(BDC)3]8 synthesized in DMF was higher than that in NMP according to TG and FT-IR. In addition, the nitrogen sorption isotherms indicated that NMP improved gas sorption property of [Zn4O(BDC)3]8. The COSMO optimized calculations indicated that the total energy of Zn4O(BDC)3 in NMP was higher than that in DMF, and compared with non-solvent system, the charge of zinc atoms decreased and the charge value was the smallest in NMP. Furthermore, the interaction of DMF, NMP or DEF in [Zn4O(BDC)3]8 crystal model was calculated by DFT method. The results suggested that NMP should be easier to be removed from pore of materials than DMF from the point of view of energy state. It can be concluded that NMP was a favorable solvent to synthesize [Zn4O(BDC)3]8 and the microscopic mechanism was that the binding force between Zn4O(BDC)3 and NMP molecule was weaker than DMF.
文摘目的 8 异前列腺素F2α(8 iso PGF2α)是一种敏感、特异性反映缺血 再灌注后氧自由基增加的生 化指标。抗氧化剂N 乙酰半胱氨酸(NAC)具有清除氧自由基的作用。本研究旨在分析实验性心肌缺血大鼠血浆 与心肌8 iso PGF2α相关性以及NAC的治疗效果,探讨血浆8 iso PGF2α反映心肌氧自由基损伤程度的可能性和 NAC的干预效果。方法 45只雄性成年Wistar大鼠随机分为3组(每组15只):对照组、缺血组和NAC组。缺血 组和NAC组腹腔注射垂体后叶素(20U/kg)制成大鼠急性心肌缺血模型,以心电图上ST段的抬高作为心肌缺血 的指标。对照组仅腹腔注射生理盐水。NAC组缺血前2周开始用NAC(每日0.1g/kg)灌胃,共3周。应用ELISA 方法测定各组大鼠血浆及心肌组织8 iso PGF2α含量。结果 缺血组大鼠的血浆和心肌组织含量分别为(187.1± 45.8)pg/mL和(259.3±47.5)pg/g,明显高于正常对照组(60.4±13.7)pg/mL和(88.6±16.9)pg/g (P<0.01);NAC组的血浆和心肌组织8 iso PGF2α含量为(88.2±16.4)pg/mL和(109.4±24.7)pg/g明显低于 缺血组(P<0.01)。血浆与心肌8 iso PGF2α水平相关(r=0.856,P<0.01)。与正常组比较,缺血组的心电图 ST段明显抬高(心肌缺血45min时抬高最为明显,达0.34±0.05mV)(P<0.05);
文摘The interaction of water-soluble P-(N,N-dimethylaminomethyl)-calix[8]arene(CX8)with calf thymus DNA was studied using neutral red(NR) as a probe by uv-vis spectroscopy.The effect factors such as the pH of solution and ionic strength on the spectra were also investigated.The interaction mechanism was proposed.The results show that the strong electrostatic interaction between DNA and CX8 existed,on the one hand,the oxyphosphate anion of DNA can be neutralized by CX8 partally,which induced the contraction of DNA and the conformational change of DNA,which led to release NR from NDA partially.On the other hand,the CX8 can also compete the electrostatic sites with NR directly.
