With the use of appropriately chosen solvent pairs it is demonstrated that solvent dependence of peptide carbonyl carbon resonances can be correlated with polypeptide secondary structure. Solvent titrations show the peptide carbonyl which is intramolecularly hydrogen bonded to exhibit less chemical shift on going from a dimethylsulfoxide solution to a solution containing a solvent which is a go...

The purpose of this paper has been to investigate the effect of solvent on radiationless transitions. Two types of the solvent effect have been studied: one is the so-called medium-induced radiationless transition, i.e., the radiationless transition induced by the interaction between the solute and solvent, and the other is the effect of solvent on the radiationless transition through the chang...

The reliance of the world economies on the use of fossil fuels (i.e. coal, natural gas and oil) as primary source of energy, have contributes to the high emission of CO2 in atmosphere. One of the promising way to mitigate the CO2 emission is by implemented Post Combustion Carbon Capture (PCCC) through absorption process. PCCC by amines based solvent is a method to remove the carbon dioxide from...

The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibra...

Bio-macromolecular crystals contain between 10 and 90% of solvent. This solvent is mostly disordered so it cannot be interpreted in terms of an atomic model. Owing to its simplicity and yet relatively good modeling power, flat bulk-solvent model is the most commonly used model to account for disordered solvent in modern crystallographic software packages such as CNS, CCP4 or Phenix. This model ...