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电子转移反应中分子理论的溶剂自由能和外氛重组能
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作者 邵明坤 段春生 +1 位作者 邢玉梅 周正宇 《烟台师范学院学报(自然科学版)》 1999年第4期282-287,共6页
考虑到溶剂分子的非线性效应,应用Franck-Condon原理解释了外氛溶剂重组能;对电荷分离的反应,采用计算机模拟数据得到了一个合理的自由能计算模式,并用此模式计算了反应物和产物状态的重组能,结果表明,当能量差偏离平均值很远时... 考虑到溶剂分子的非线性效应,应用Franck-Condon原理解释了外氛溶剂重组能;对电荷分离的反应,采用计算机模拟数据得到了一个合理的自由能计算模式,并用此模式计算了反应物和产物状态的重组能,结果表明,当能量差偏离平均值很远时,必须考虑自由能高次项的修正,即溶剂分子的非线性效应.对溶剂重组能效应的物理意义、反应物和产物状态之间重组能差别的原因进行了讨论. 展开更多
关键词 电子转移反应 溶剂自由基 外氛重组能 分子理论
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Human plasma protein binding of water soluble flavonoids extracted from citrus peels 被引量:3
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作者 赵金尧 李理 +1 位作者 焦飞鹏 任凤莲 《Journal of Central South University》 SCIE EI CAS 2014年第7期2645-2651,共7页
The human plasma protein binding of water soluble flavonoids in the peels of five spices of citrus fruits was studied by ultrafiltration combined with HPLC.The flavonoids were extracted separately by hot and cold wate... The human plasma protein binding of water soluble flavonoids in the peels of five spices of citrus fruits was studied by ultrafiltration combined with HPLC.The flavonoids were extracted separately by hot and cold water,and higher total flavonoid contents were detected in the former extracts than the latter ones.All the extracts show significant scavenging abilities to both ABTS and DPPH free radicals,which indicates the health benefits of the water extracts of citrus fruits peels.For DPPH radical,the IC50values of hot extract follow as Navel orange(NO)≈Mandarin orange(MO)< Lemon(LE)< Lo tangerine(LO)< Pomelo(PO),while the rank is NO< PO<LE≈MO<LO for ABTS radical.The HPLC results reveal that the kinds and contents of the flavonoids detected in the extracts are different among the species.MO extract has the most neohesperidin dihydrochalcone of 118.76 μmol/L and quercetrin of 211.81 μmol/L of which are much more than the rest extracts.Pomelo extract has the most plentiful flavonoids of naringin with a concentration of 303.28 μmol/L.The high contents of myricetrin and dihydromyricetin which both are potent free radical scavengers may explain the highest free radical scavenging activity of the NO extract.The plasma binding rates decrease with the increasing concentrations of flavonoids,and the flavonoids having plenty hydroxyl groups on both A ring and B ring of the molecular skeleton have relative higher plasma binding rates.In addition,the plasma binding rates of flavonoids with saturated C3-C4 bond decrease significantly with the increasing concentrations. 展开更多
关键词 ULTRAFILTRATION plasma protein binding citrus peel flavonoid EXTRACT ANTIOXIDANT
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Synthesis of Iron-Pyridoxine Complex by Solvothermal Process, Its Structural Characterization and Antioxidant Activity Evaluation
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作者 Girigowda Chaitanya Lakshmi Sannaiah Ananda Netkal Made Gowda Made Gowda 《Journal of Chemistry and Chemical Engineering》 2010年第12期33-37,共5页
Hydroxyl radicals, superoxide anions and nitricoxide radicals are reactive species that can attack biomolecules such as DNA, lipids and proteins to cause many lifestyle-related diseases including hypertension and phot... Hydroxyl radicals, superoxide anions and nitricoxide radicals are reactive species that can attack biomolecules such as DNA, lipids and proteins to cause many lifestyle-related diseases including hypertension and photoaging. This study reports the synthesis of new copper-pyridoxine and iron-pyridoxine complexes. The complexes have been synthesized and characterized by molar conductances, IR, UV-Visible, mass spectrometry, melting points and magnetic moment datas. The molecular formula of the complex is found to be Fe(py ^-)2Cl.H2O. The pyH/pyligand is coordinated to copper and iron through N atom of the pyridine ring and O atom of 5'-CH2OH group. The Fe(III) complex is found to be paramagnetic with one unpaired electron. The antioxidant activities of the free ligand and its complexes were determined in vitro. 展开更多
关键词 Pyridoxine-metal complexes PYRIDOXINE transition metals antioxidant activity mass spectrometry.
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