Salting-in with a Salting-out Agent: Explaining the Cation Specific Effects on the Aqueous Solubility of Amino Acids

被引:91
作者
Tome, Luciana I. N. [1 ]
Pinho, Simao P. [2 ]
Jorge, Miguel [3 ,4 ]
Gomes, Jose R. B. [1 ]
Coutinho, Joao A. P. [1 ]
机构
[1] Univ Aveiro, Dept Quim, CICECO, P-3810193 Aveiro, Portugal
[2] Inst Politecn Braganca, LSRE, Associate Lab LSRE LCM, P-530185 Braganca, Portugal
[3] Univ Porto, LSRE, Associate Lab LSRE LCM, Fac Engn, P-4200465 Oporto, Portugal
[4] Univ Strathclyde, Dept Chem & Proc Engn, Glasgow G1 1XJ, Lanark, Scotland
关键词
MOLECULAR-DYNAMICS SIMULATIONS; METAL-IONS LI+; L-LEUCINE; HORSERADISH-PEROXIDASE; MUTUAL SOLUBILITIES; HYDROPHOBIC SOLUTES; PROTEIN DENATURANTS; WATER COORDINATION; HOFMEISTER SERIES; CARBOXYLIC-ACIDS;
D O I
10.1021/jp4021307
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Although the understanding of ion specific effects on the aqueous solubilities of biomolecules is crucial for the development of many areas of biochemistry and life sciences, a consensual and well-supported molecular picture of the phenomena has not yet been established. Mostly, the influence of cations and the nature of the molecular interactions responsible for the reversal of the Hofmeister trend in aqueous solutions of amino acids and proteins are still defectively understood. Aiming at contributing to the understanding of the molecular-level mechanisms governing the cation specific effects on the aqueous solubilities of biocompounds, experimental solubility measurements and classical molecular dynamics simulations were performed for aqueous solutions of three amino acids (alanine, valine, and isoleucine), in the presence of a series of inorganic salts. The evidence gathered suggests that the mechanism by which salting-in inducing cations operate in aqueous solutions of amino acids is different from that of anions, and allows for a novel and Consistent molecular description of the effect of the cation on the solubility based on specific interactions of the cations with the negatively charged moieties of the biomolecules.
引用
收藏
页码:6116 / 6128
页数:13
相关论文
共 99 条
[81]   Magnesium chloride:: an efficient 13C NMR relaxation agent for amino acids and some carboxylic acids [J].
Tian, JP ;
Yin, YW ;
Sun, HB ;
Luo, XF .
JOURNAL OF MAGNETIC RESONANCE, 2002, 159 (02) :137-144
[82]   Molecular Dynamics Simulation Studies of the Interactions between Ionic Liquids and Amino Acids in Aqueous Solution [J].
Tome, Luciana I. N. ;
Jorge, Miguel ;
Gomes, Jose R. B. ;
Coutinho, Joao A. P. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 116 (06) :1831-1842
[83]   Toward an Understanding of the Aqueous Solubility of Amino Acids in the Presence of Salts: A Molecular Dynamics Simulation Study [J].
Tome, Luciana I. N. ;
Jorge, Miguel ;
Gomes, Jose R. B. ;
Coutinho, Joao A. P. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (49) :16450-16459
[84]   On the Interactions between Amino Acids and Ionic Liquids in Aqueous Media [J].
Tome, Luciana I. N. ;
Dominguez-Perez, Montserrat ;
Claudio, Ana Filipa M. ;
Freire, Mara G. ;
Marrucho, Isabel M. ;
Cabeza, Oscar ;
Coutinho, Joao A. P. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 113 (42) :13971-13979
[85]   Towards an Understanding of the Mutual Solubilities of Water and Hydrophobic Ionic Liquids in the Presence of Salts: The Anion Effect [J].
Tome, Luciana I. N. ;
Varanda, Fatima R. ;
Freire, Mara G. ;
Marrucho, Isabel M. ;
Coutinho, Joao A. P. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 113 (09) :2815-2825
[86]   Effect of the protein denaturants urea and guanidinium on water structure: A structural and thermodynamic study [J].
Vanzi, F ;
Madan, B ;
Sharp, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (41) :10748-10753
[87]   Specific ion effects at protein surfaces: A molecular dynamics study of bovine pancreatic trypsin inhibitor and horseradish peroxidase in selected salt solutions [J].
Vrbka, L ;
Jungwirth, P ;
Bauduin, P ;
Touraud, D ;
Kunz, W .
JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (13) :7036-7043
[88]   Quantification and rationalization of the higher affinity of sodium over potassium to protein surfaces [J].
Vrbka, Lubos ;
Vondrasek, Jiri ;
Jagoda-Cwiklik, Barbara ;
Vacha, Robert ;
Jungwirth, Pavel .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2006, 103 (42) :15440-15444
[89]  
Walker AF, 2003, MAGNESIUM RES, V16, P183
[90]  
WASHABAUGH MW, 1986, J BIOL CHEM, V261, P2477