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Transfer Energetics of Some Nucleobases in Aqueous Protic Ethylene Glycol Mixtures

机译:在水性质粒乙二醇混合物中传递一些核碱基的能量学

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In this article spectrophotometry is applied to measure the saturated solubility of some nucleobases in aquo-organic solvent mixtures of protic ethylene glycol at five equi-distant temperatures from 288.15 to 308.15 K under experimental pressure, p = 0.1 MPa. Standard Gibbs energies [AGt (i)l and entropies [TASt (i)l of transfer from water to aqueous mixture of protic ethylene glycol have been evaluated at 298.15 K. The chemical contributions of these energetics chem[AG t (i)] and [TASt chem(0] of the involved nucleic acid bases have been computed by subtracting the cavity effect, dipole dipole and dipole-induced dipole type interaction effects. The chemical composition of transfer energetics of nucleo bases is guided by different effects like dispersion interaction, basicity-acidity, hydrogen bonding, hydrophobic and hydrophilic interaction effects of aqueous ethylene glycol as compared to that of the reference solvent, water. The cavity effect has been estimated by using the Scaled Particle Theory. Computation of dipole dipole and dipole-induced interactions has been performed using Keesom orientation expressions. The trend of variation of Gibbs energies due to chemical interactions are guided by decreased hydrophobic hydration (HbH), increased acidity and dispersion effects of aqueous ethylene glycol solvent mixtures as compared to the reference solvent, water.
机译:在该文献中,分光光度法应用于测量在实验压力下在288.15至308.15k的五个Equi-ock乙二醇的Aquo-oferal溶剂混合物中测量一些核酶的饱和溶解度。标准Gibbs Energies [Agt(i)L和熵[TAST(I)从水中转移到水合与质子乙二醇的水混合物中,已经在298.15K中评估了这些能量化学[AG T(I)]和的化学贡献[所涉及的核酸碱的TAST Chem(0]通过减去腔效应,偶极子偶极子和偶极诱导的偶极型相互作用效应来计算。核碱的转移能量学的化学成分由不同的效果如色散相互作用为指导,与参考溶剂,水相比,乙二醇水溶液,氢键合,氢粘合,疏水性和亲水性相互作用。通过使用缩放粒子理论估计了腔效应。偶极偶极子和偶极诱导的交互的计算使用Keesom取向表达进行。由于化学相互作用而导致的Gibbs能量变化的趋势是通过减少的疏水性水合(HBH),Inc与参考溶剂,水相比,乙二醇溶剂溶剂混合物的沥青酸度和分散效应。

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