Sokkalingam Punidha, Shraberg Joshua, Rick Steven W, Gibb Bruce C
Department of Chemistry, Tulane University , New Orleans, Louisiana 70118, United States.
Department of Chemistry, University of New Orleans , New Orleans, Louisiana 70148, United States.
J Am Chem Soc. 2016 Jan 13;138(1):48-51. doi: 10.1021/jacs.5b10937. Epub 2015 Dec 24.
Using a combination of isothermal titration calorimetry and quantum and molecular dynamics calculations, we demonstrate that relatively soft anions have an affinity for hydrophobic concavity. The results are consistent with the anions remaining partially hydrated upon binding, and suggest a novel strategy for anion recognition.
通过结合等温滴定量热法以及量子和分子动力学计算,我们证明了相对较软的阴离子对疏水凹穴具有亲和力。结果与阴离子在结合时仍部分水合一致,并提出了一种阴离子识别的新策略。