Biomolecules in aqueous solution

A review of the chemical and energetic bases for hydrophobic interactions between biomolecules in aqueous solutions. 

Chen J, Arnold MA, Small GW. Comparison of combination and first overtone spectral regions for near infrared calibration models for glucose and other biomolecules in aqueous solutions. Analytical Chemistry 2004, 76, 5405-5413. 

Computer simulation of biomolecules in aqueous solution is challenging, even for small molecules such as peptides. In principle, in order to fully characterise its folding or binding properties, one would like to compute the complete ensemble of conformations of a polypeptide in solution as a function of time. This, however, becomes an extremely complex problem as soon as one wishes to use an accurate energy function and model all the degrees of freedom that describe the polypeptide chain and the solvent. 

Jensen JB, Pedersen LH, Hoiby PE, Nielsen LB, Eolkenberg JR, Riishede J, Noordegraaf D, Nielsen K, Carlsen A, Bjarklev A (2004) Photonic crystal fiber based evanescent-wave sensor for detection of biomolecules in aqueous solution. Opt Lett 29 1974-1976... 

In size exclusion chromatography (SEC), dissolved molecules are separated according to their size, which is closely related to their molecular weight. This method can be applied for the separation of polymers in non-aqueous solutions, which is sometimes referred to as gel permeation chromatography (GPC). It can also be used for the separation of biomolecules in aqueous solutions. Then the method is referred to gel filtration chromatography. 

On the origins of core-electron chemical shifts of small biomolecules in aqueous solution insights Irom photoemission and ab initio calculations of glycinefaq). J Am Chem Soc 133 3120-3130... 

There is yet another important origin of observed pressure changes in the NMR spectra of biomolecules in aqueous solutions. NMR studies of protein denaturation using temperature or chemical means are well established but pressure also leads to reversible denaturation as discussed in more detail in the section on applications. In the case of model membranes the use of pressure leads to very rich barotropic behaviour and high pressure NMR techniques can establish pressure-temperature phase diagrams for the membrane system studied. 

Alarcon, F., Perez-Hemandez, G., Perez, E., Gama Goicochea, a Coarse-grained simulations of the salt dependence of the radius of gyration of polyelectrolytes as models for biomolecules in aqueous solution. Eur. Biophys. J. 42, 661-672 (2013). doi 10.1007/ S00249-013-0915-Z... 

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