The complexes formed by calcium ion and 12 common amino acids were investigated systematically in the gas phase at the level of MP2/6-311＋＋G（d,p）//MP2/6-3 1G（d,p）.The results show that the salt-bridge structure ...The complexes formed by calcium ion and 12 common amino acids were investigated systematically in the gas phase at the level of MP2/6-311＋＋G（d,p）//MP2/6-3 1G（d,p）.The results show that the salt-bridge structure is the most preferred motif for Ca2＋ binding aliphatic amino acids without heteroatom in the side chain,while charge-solvated（CS） structure is the most preferred motif for Ca2＋ binding other amino acids except for glutamine and lysine.IR spectra of Gln-Ca2＋ and Asn-Ca2＋ complexes were calculated and compared well with the available experiments.From the study in aqueous solution,the bidentate salt-bridge structure was determined to be the most favorable for all the twenty kinds of amino acids to chelate Ca2＋ to both the oxygen atoms of the negatively carboxylate group in the backbone.展开更多
用直接观察法、酒石酸亚铁法和铬黑 T 祛对绿茶茶汤组分与23种金属离子的络合性能进行了研究,结果表明,有22种金属离子可与茶汤组分发生络合或还原络合反应,其中有10种金属离子参与了茶多酚的络合。钙离子可与茶汤组分生成低溶解度的络...用直接观察法、酒石酸亚铁法和铬黑 T 祛对绿茶茶汤组分与23种金属离子的络合性能进行了研究,结果表明,有22种金属离子可与茶汤组分发生络合或还原络合反应,其中有10种金属离子参与了茶多酚的络合。钙离子可与茶汤组分生成低溶解度的络合物,其溶解度及稳定性可随反应溶液 pH 升高而下降。钙络合沉淀中的主要茶汤组分是茶多酚,其中以酯型儿茶素含量最高。展开更多
基金Supported by the National Natural Science Foundation of China（No. 21273122）.
文摘The complexes formed by calcium ion and 12 common amino acids were investigated systematically in the gas phase at the level of MP2/6-311＋＋G（d,p）//MP2/6-3 1G（d,p）.The results show that the salt-bridge structure is the most preferred motif for Ca2＋ binding aliphatic amino acids without heteroatom in the side chain,while charge-solvated（CS） structure is the most preferred motif for Ca2＋ binding other amino acids except for glutamine and lysine.IR spectra of Gln-Ca2＋ and Asn-Ca2＋ complexes were calculated and compared well with the available experiments.From the study in aqueous solution,the bidentate salt-bridge structure was determined to be the most favorable for all the twenty kinds of amino acids to chelate Ca2＋ to both the oxygen atoms of the negatively carboxylate group in the backbone.
文摘用直接观察法、酒石酸亚铁法和铬黑 T 祛对绿茶茶汤组分与23种金属离子的络合性能进行了研究,结果表明,有22种金属离子可与茶汤组分发生络合或还原络合反应,其中有10种金属离子参与了茶多酚的络合。钙离子可与茶汤组分生成低溶解度的络合物,其溶解度及稳定性可随反应溶液 pH 升高而下降。钙络合沉淀中的主要茶汤组分是茶多酚,其中以酯型儿茶素含量最高。
