Kaminsky, Jakub published the artcileDouble Hydrogen Bonding Dimerization Propensity of Aqueous Hydroxy Acids Investigated Using Vibrational Optical Activity, Application of (S)-2-hydroxysuccinic acid, the main research area is double hydrogen bonding dimerization hydroxy acid vibrational optical activity.
Lactic and malic acids are key substances in a number of biochem. processes in living cells and are also utilized in industry. Vibrational spectroscopy represents an efficient and sensitive way to study their structure and interactions. Since water is the natural environment, proper understanding of their mol. dynamics in aqueous solutions is of critical importance. To this end, we employed Raman spectroscopy and Raman optical activity (ROA) to study the conformation of L-lactic and L-malic acids in water (while varying pH, temperature, and concentration), with special emphasis on their double hydrogen bonding dimerization propensity. Raman and ROA exptl. data were supported by extensive theor. calculations of the vibrational properties and by addnl. experiments (IR absorption, vibrational CD, and NMR). Conformational behavior of the acids in water was described by mol. dynamics simulations. Reliability of the results was verified by calculating the vibrational properties of populated conformers and by comparing thus obtained spectral features with the exptl. data. Calculations estimated the incidence of H-bonded dimers in water to be low in lactic acid and comparable to monomers in malic acid. The “”hybrid”” approach presented here reveals limitations of relying on the exptl. spectra alone to study dimer formation.
Journal of Physical Chemistry B published new progress about Conformation. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Application of (S)-2-hydroxysuccinic acid.
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