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Thermodynamic Features of Diethyl Citrate Calcium Complexes and Factors Affecting the Complex Stability

机译:柠檬酸二乙酯钙配合物的热力学特征及影响配合物稳定性的因素

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Diethyl citrate (Et2Cit) is a promising new anticoagulant In this study, the stoichiometry of the Et2Cit complex with Ca~(2+) ions and the stability constant (K_s) were determined. The effect of pH and temperature on K_s were then discussed. Thermodynamic functions (AG, AH, AS) of the complex were also calculated. These results were compared with those of sodium citrate (Na3Cit), a current clinical anticoagulant Both Et2Cit and Na3Cit formed complexes with Ca2+ ion at 1:1 ratio. The K_s measured for calcium diethyl citrate (CaEt2Cit) and calcium citrate (CaCit) was 231 and 1988, respectively, at pH 7.4, 37 °C. It is indicated that CaCit was more stable than CaEt2Cit Increasing pH or solution temperature favoured the formation of both complexes. Increasing temperature from 15 to 40 °C led to a shift of K_s from 58 up to 327 for CaEt2Cit and 327 up to 2327 for CaCit, as a result of their endothermie reactions. Animal testing results on rabbits showed that the recovery speed of blood calcium concentration with Et2Cit as anticoagulant was more rapid than that with Na3Cit Et2Cit is expected to circumvent the problems of hypocalcemia and hypercalcemia which are usually encountered when using NajCit for anticoagulation. Therefore, Et2Cit has shown great potential as a new anticoagulant.
机译:柠檬酸二乙酯(Et2Cit)是一种有前途的新型抗凝剂。在这项研究中,确定了具有Ca〜(2+)离子的Et2Cit配合物的化学计量和稳定性常数(K_s)。然后讨论了pH和温度对K_s的影响。还计算了配合物的热力学函数(AG,AH,AS)。将这些结果与目前的临床抗凝剂柠檬酸钠(Na3Cit)进行了比较,Et2Cit和Na3Cit均与Ca2 +离子以1:1的比例形成了复合物。在pH 7.4、37°C​​下,柠檬酸二乙酯钙(CaEt2Cit)和柠檬酸钙(CaCit)的K_s分别为231和1988。表明CaCit比CaEt2Cit更稳定。增加pH或溶液温度有利于两种复合物的形成。温度从15升高到40°C,由于CaEt2Cit的吸热反应,导致K_s从58升高到327,CaCit从327升高到2327。在兔子身上进行的动物测试结果表明,以Et2Cit为抗凝剂的血钙浓度的恢复速度要比以Na3Cit为快。Et2Cit有望避免使用NajCit进行抗凝时常遇到的低血钙和高血钙问题。因此,Et2Cit已显示出作为新型抗凝剂的巨大潜力。

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