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桑色素铁配合物消除超氧基阴离子自由基的理论研究
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作者 罗冬梅 鲁涵 +3 位作者 丁友健 孔以初 陈书婷 姜家丽 《化学世界》 CAS 2023年第4期237-248,共12页
采用量子化学的密度泛函(DFT)法,用Gaussian 09程序包优化了桑色素(Morin)与Fe^(2+)三种可能的配合物及其与超氧基阴离子自由基(O·―2)相互作用后的几何构型,并在同样的研究条件下计算和分析了三个体系的自然电子布居(NPA)即电荷... 采用量子化学的密度泛函(DFT)法,用Gaussian 09程序包优化了桑色素(Morin)与Fe^(2+)三种可能的配合物及其与超氧基阴离子自由基(O·―2)相互作用后的几何构型,并在同样的研究条件下计算和分析了三个体系的自然电子布居(NPA)即电荷分布。得到相应的优化几何结构参数、NPA电荷、相互作用能量等。结果表明,所有优化体系均无虚频,结构稳定。Morin-Fe^(2+)配合物与O·―2的相互作用能表明,三种络合方式均对该自由基有良好的消除作用。相互作用能数值在基组重叠误差(BSSE)校正后分别为:7.075 kJ/mol(5,6元环配合物)、-32.832 kJ/mol(5元环配合物)、-59.612 kJ/mol(6元环配合物)。其中Fe^(2+)以六元环的方式与双分子Morin结合的方式与自由基的相互作用能最大,作用结果使得O·―2的NPA电荷增加最多,因此推测强相互作用的主导因素为电荷,这与前线轨道电子云分布一致。最高占据轨道(HOMO)中电子云集中分布在以Fe^(2+)为中心的六元环,分子骨架上共轭体系的电子云向金属中心迁移。最低空轨道(LUMO)中电子云集中分布在以Fe^(2+)为中心的六元环周围,呈现基本对称的分布形式,而金属中心与自由基上分布较少,这与自由基电荷增加相一致。 展开更多
关键词 桑色素 超氧基阴离子自由基 Fe^(2+) 量子化学
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白杨素锰配合物消除超氧基阴离子自由基的理论 被引量:1
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作者 罗冬梅 肖文敏 靳瑞发 《南昌大学学报(理科版)》 CAS 北大核心 2018年第1期44-50,共7页
采用量子化学中的DFT法,在uB3LYP水平上,添加溶剂化效应用高斯09程序包优化了O_2˙-,白杨素(Chrysin),及2Chrysin-Mn^(2+),2Chrysin-Mn^(3+)与超氧基自由基阴离子相互作用后的2Chrysin-Mn^(2+)-O_2˙-,2Chrysin-Mn3+-O_2˙-的几何构型,... 采用量子化学中的DFT法,在uB3LYP水平上,添加溶剂化效应用高斯09程序包优化了O_2˙-,白杨素(Chrysin),及2Chrysin-Mn^(2+),2Chrysin-Mn^(3+)与超氧基自由基阴离子相互作用后的2Chrysin-Mn^(2+)-O_2˙-,2Chrysin-Mn3+-O_2˙-的几何构型,并在同样的计算水平上计算和分析了频率和NBO电荷,得到相应的优化后的几何优化参数,电荷变化,能量,电子密度等。得出白杨素锰配合物与超氧基自由基阴离子有较强的相互作用;配合物几何构型趋于保持原有的平面结构,但自由基构型的发生了变化,配合物对自由基阴离子有很好的消除作用;而从能量上看2Chrysin-Mn^(3+)分子比2Chrysin-Mn^(2+)分子有更好的消除作用。 展开更多
关键词 白杨素 超氧基阴离子自由基 离子 量子化学
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Antioxidative capacity and enzyme activity in Haematococcus pluvialis cells exposed to superoxide free radicals 被引量:5
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作者 刘建国 张晓丽 +1 位作者 孙延红 林伟 《Chinese Journal of Oceanology and Limnology》 SCIE CAS CSCD 2010年第1期1-9,共9页
The antioxidative capacity of astaxanthin and enzyme activity of reactive oxygen eliminating enzymes such as superoxide dismutase (SOD),peroxidase (POD),catalase (CAT) and ascorbate peroxidase (APX) were studied in th... The antioxidative capacity of astaxanthin and enzyme activity of reactive oxygen eliminating enzymes such as superoxide dismutase (SOD),peroxidase (POD),catalase (CAT) and ascorbate peroxidase (APX) were studied in three cell types of Haematococcus pluvialis exposed to high concentrations of a superoxide anion radical (O2ˉ).The results show that defensive enzymes and astaxanthin-related mechanisms were both active in H.pluvialis during exposure to reactive oxygen species (ROS) such as Oˉ2.Astaxanthin reacted with ROS much faster than did the protective enzymes,and had the strongest antioxidative capacity to protect against lipid peroxidation.The defensive mechanisms varied significantly between the three cell types and were related to the level of astaxanthin that had accumulated in those cells.Astaxanthin-enriched red cells had the strongest antioxidative capacity,followed by brown cells,and astaxanthin-deficient green cells.Although there was no significant increase in expression of protective enzymes,the malondialdehyde (MDA) content in red cells was sustained at a low level because of the antioxidative effect of astaxanthin,which quenched Oˉ2 before the protective enzymes could act.In green cells,astaxanthin is very low or absent;therefore,scavenging of ROS is inevitably reliant on antioxidative enzymes.Accordingly,in green cells,these enzymes play the leading role in scavenging ROS,and the expression of these enzymes is rapidly increased to reduce excessive ROS.However,because ROS were constantly increased in this study,the enhance enzyme activity in the green cells was not able to repair the ROS damage,leading to elevated MDA content.Of the four defensive enzymes measured in astaxanthin-deficient green cells,SOD eliminates Oˉ2,POD eliminates H2O2,which is a by-product of SOD activity,and APX and CAT are then initiated to scavenge excessive ROS. 展开更多
关键词 ASTAXANTHIN Haematococcus pluvialis lipid peroxidation reactive oxygen species (ROS)
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Antioxidative Activity of Polysaccharide Fractions Isolated from Tricholoma Matsutake Sing. with Ultrafiltration 被引量:3
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作者 Jing Zhao Lina Cui Jiaming Sun Yue Cao Hui Zhang 《Journal of Life Sciences》 2010年第3期17-20,共4页
Polysaccharides of Tricholoma matsutake Sing. were extracted with boilingwater, followed by precipitating with ethanol. Two membranes of different molecular weight cut-off, namely, 30 kD and 10 kD were chosen with ult... Polysaccharides of Tricholoma matsutake Sing. were extracted with boilingwater, followed by precipitating with ethanol. Two membranes of different molecular weight cut-off, namely, 30 kD and 10 kD were chosen with ultrafiltration. The antioxidant activity of the purification polysaccharides was evaluated by various antioxidant assay, including DPPH (l,l-diphenyl-2-picrylhydrazyl) radical scavenging, superoxide anion radical scavenging and hydrogen peroxide scavenging. The scavenging effect on hydroxyl radical and DPPH radical, which may be comparable to Vitamin C, while the scavenging effect on superoxide anion radicals was not obvious. 展开更多
关键词 Tricholoma matsutake sing. POLYSACCHARIDE ULTRAFILTRATION ANTIOXIDANT free radicals.
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The Scavenging of Free Radical and Oxygen Species Activities and Hydration Capacity of Collagen Hydrolysates from Walleye Pollock(Theragra chalcogramma) Skin 被引量:1
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作者 ZHUANG Yongliang LI Bafang ZHAO Xue 《Journal of Ocean University of China》 SCIE CAS 2009年第2期171-176,共6页
Fish skin collagen hydrolysates (FSCH) were prepared from walleye pollock (Theragra chalcogramrna) using a mixture of enzymes, namely trypsin and flavourzyme. The degree of hydrolysis of the skin collagen was 27.3... Fish skin collagen hydrolysates (FSCH) were prepared from walleye pollock (Theragra chalcogramrna) using a mixture of enzymes, namely trypsin and flavourzyme. The degree of hydrolysis of the skin collagen was 27.3%. FSCH was mainly composed of low-molecular-weight peptides and the relative proportion of 〈1000Da fraction was 70.6%. Free radical and oxygen species scavenging activities of FSCH were investigated in four model systems, including diphenylpicrylhy-drazyl radical (DPPH), superoxide anion radical, hydroxyl radical and hydrogen peroxide model, and compared with that of a native antioxidant, reduced glutathione (GSH). FSCH was also evaluated by water-absorbing and water-holding capacity. The results showed that FSCH was able to scavenge free radical and oxygen species significantly and to enhance water-absorbing and water-holding capacity remarkably. Therefore FSCH may have potential applications in the medicine and food industries. 展开更多
关键词 walleye pollock COLLAGEN free radical-scavenging activity water-holding capacity
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SOD-like Activity of Copper Salicylate Complex in Tween Micel-lar Systems
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作者 刘艳 张学东 +1 位作者 马思谦 鲁纯素 《Journal of Chinese Pharmaceutical Sciences》 CAS 1997年第1期26-30,共5页
opper salicylate complex has been synthesized and its composition was analyzed. The four surfactants(Tween 20, 40, 60, 80) were purified and their critical micelle concentrations(CMC) in phosphate buffer (pH=7.... opper salicylate complex has been synthesized and its composition was analyzed. The four surfactants(Tween 20, 40, 60, 80) were purified and their critical micelle concentrations(CMC) in phosphate buffer (pH=7.4) were measured. The SOD like activity of copper salicylate complex was assayed using the cytochrome c reduction method in different media. The cooperative effect of the complex with micelles was studied in detail. SOD like activity of the complex was enhanced in the presence of surfactants. The four surfactants themselves display SOD like activities to a certain extent. Similar results were obtained in the experiment for the antilipid peroxidation of red cell membrane. These results might be explained by the fact of micellar catalysis. It was suggested that the copper salicylate Tween system used as a potential antiinflammatory drug might be worthwhile to be further studied. 展开更多
关键词 Superoxide anion radical Hydroxide radical Micellar catalysis SOD like activity Copper complex
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