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Title: Thermodynamic properties of bulk and confined water

The thermodynamic response functions of water display anomalous behaviors. We study these anomalous behaviors in bulk and confined water. We use nuclear magnetic resonance (NMR) to examine the configurational specific heat and the transport parameters in both the thermal stable and the metastable supercooled phases. The data we obtain suggest that there is a behavior common to both phases: that the dynamics of water exhibit two singular temperatures belonging to the supercooled and the stable phase, respectively. One is the dynamic fragile-to-strong crossover temperature (T{sub L} ≃ 225 K). The second, T{sup *} ∼ 315 ± 5 K, is a special locus of the isothermal compressibility K{sub T}(T, P) and the thermal expansion coefficient α{sub P}(T, P) in the P–T plane. In the case of water confined inside a protein, we observe that these two temperatures mark, respectively, the onset of protein flexibility from its low temperature glass state (T{sub L}) and the onset of the unfolding process (T{sup *})
Authors:
 [1] ;  [2] ;  [2] ;  [1] ;  [3] ; ;  [4] ;  [5]
  1. Dipartimento di Fisica e Scienza della Terra Università di Messina and CNISM, I-98168 Messina (Italy)
  2. (United States)
  3. Dipartimento di Scienze dell'Ambiente, della Sicurezza, del Territorio, degli Alimenti e della Salute, Università di Messina, I-98166 Messina (Italy)
  4. IPCF-CNR, I-98166 Messina (Italy)
  5. Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215 (United States)
Publication Date:
OSTI Identifier:
22311048
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 18; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; COMPRESSIBILITY; FLEXIBILITY; GLASS; NUCLEAR MAGNETIC RESONANCE; PROTEINS; RESPONSE FUNCTIONS; SPECIFIC HEAT; THERMAL EXPANSION; WATER