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Cooperative Hydration of Pyruvic Acid in Ice

Guzmán, Marcelo I. and Hildebrandt, Lea and Colussi, Agustín J. and Hoffmann, Michael R. (2006) Cooperative Hydration of Pyruvic Acid in Ice. Journal of the American Chemical Society, 128 (32). pp. 10621-10624. ISSN 0002-7863. doi:10.1021/ja062039v.

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About 3.5 ± 0.3 water molecules are still involved in the exothermic hydration of 2-oxopropanoic acid (PA) into its monohydrate (2,2-dihydroxypropanoic acid, PAH) in ice at 230 K. This is borne out by thermodynamic analysis of the fact that Q_H(T) = [PAH]/[PA] becomes temperature independent below ∼250 K (in chemically and thermally equilibrated frozen 0.1 ≤ [PA]/M ≤ 4.6 solutions in D_2O), which requires that the enthalpy of PA hydration (ΔHH ∼ −22 kJ mol^(-1)) be balanced by a multiple of the enthalpy of ice melting (ΔH_M = 6.3 kJ mol^(-1)). Considering that:  (1) thermograms of frozen PA solutions display a single endotherm, at the onset of ice melting, (2) the sum of the integral intensities of the ^1δ_(PAH) and ^1δ_(PA) methyl proton NMR resonances is nearly constant while, (3) line widths increase exponentially with decreasing temperature before diverging below ∼230 K, we infer that PA in ice remains cooperatively hydrated within interstitial microfluids until they vitrify.

Item Type:Article
Related URLs:
URLURL TypeDescription Information
Guzmán, Marcelo I.0000-0002-6730-7766
Colussi, Agustín J.0000-0002-3400-4101
Hoffmann, Michael R.0000-0001-6495-1946
Additional Information:© 2006 American Chemical Society. Received March 24, 2006. L.H. was a SURF student. The present study is supported by the National Science Foundation under grant number NSF-ATM-0228140. We thank Sonjong Hwang, and Peter Babilo, for technical support.
Funding AgencyGrant Number
Caltech Summer Undergraduate Research Fellowship (SURF)UNSPECIFIED
Issue or Number:32
Record Number:CaltechAUTHORS:20150623-154753287
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Official Citation:Cooperative Hydration of Pyruvic Acid in Ice Marcelo I. Guzmán, Lea Hildebrandt, Agustín J. Colussi, and Michael R. Hoffmann Journal of the American Chemical Society 2006 128 (32), 10621-10624 DOI: 10.1021/ja062039v
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:58469
Deposited By: George Porter
Deposited On:29 Jul 2015 14:59
Last Modified:10 Nov 2021 22:05

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