scholarly journals Slow Motions in the Hydrophobic Core of Chicken Villin Headpiece Subdomain and Their Contributions to Configurational Entropy and Heat Capacity from Solid-State Deuteron NMR Measurements

Biochemistry ◽  
2011 ◽  
Vol 50 (49) ◽  
pp. 10637-10646 ◽  
Author(s):  
Liliya Vugmeyster ◽  
Dmitry Ostrovsky ◽  
Anastasia Khadjinova ◽  
Jeremy Ellden ◽  
Gina L. Hoatson ◽  
...  
Keyword(s):  
Heat Capacity ◽  
Solid State ◽  
Configurational Entropy ◽  
Hydrophobic Core ◽  
Villin Headpiece ◽  
Slow Motions ◽  
Deuteron Nmr

Quantitative Predictions from Solid-State Physics - What do Phase Diagram Calculators Want?

1982 ◽  
Vol 19 ◽  
Author(s):  
Malcolm Rand
Keyword(s):  
Phase Diagram ◽  
Heat Capacity ◽  
Solid State ◽  
Binary Systems ◽  
High Pressures ◽  
Magnetic Moments ◽  
Configurational Entropy ◽  
Metastable Phases ◽  
Solid State Physics ◽  
Metastable Compounds

ABSTRACTThe types of information required for the calculation of phase diagrams are discussed by considering the computation of typical ternary sections from the constituent binary systems. Such calculations require a knowledge of the Gibbs energy of transformation (lattice stabilities) and Gibbs energies of mixing of wholly metastable, as well as the stable phases in binary systems. Similarly, the stabilities of metastable compounds such as Fe7C3 would be required for computations in the C-Cr-Fe system.These requirements are compared to the information provided by solid-state theoreticians. Essentially such calculations provide enthalpy values at 0 K (or some unspecified temperature for semi-empirical models); however the lattice dynamics and configurational entropy of simple phases have been included in some recent computations. The importance of predicting the entropy and thus heat capacity of metallic phases - particularly metastable phases - is therefore emphasized. Identification of those contributions to the heat capacity which are responsible for the differences between metal polymorphs is discussed, particularly the formalism for magnetic and atomic ordering phenomena. Predictions of ordering temperatures and magnetic moments as a function of composition would be of considerable help for phase diagram calculations.Ab-initio calculations already have considerable success in predicting molar volumes of both stable and metastable phases, so that such information will undoubtedly be of considerable value in studying alloy behaviour at high pressures.

scholarly journals Dynamics of Hydrophobic Core Phenylalanine Residues Probed by Solid-State Deuteron NMR

2015 ◽  
Vol 119 (47) ◽  
pp. 14892-14904 ◽  
Author(s):  
Liliya Vugmeyster ◽  
Dmitry Ostrovsky ◽  
Toni Villafranca ◽  
Janelle Sharp ◽  
Wei Xu ◽  
...  
Keyword(s):  
Solid State ◽  
Hydrophobic Core ◽  
Deuteron Nmr

Recent advances in eye-safe Er:YAG solid-state heat-capacity technology

2012 ◽  
Author(s):  
Marc Eichhorn ◽  
Stefano Bigotta ◽  
Thierry Ibach
Keyword(s):  
Heat Capacity ◽  
Solid State ◽  
State Heat ◽  
Recent Advances

Heat capacity and thermodynamic functions of sphalerite: Implication to sulfide solid-state galvanic cell measurements

2016 ◽  
Vol 641 ◽  
pp. 14-23 ◽  
Author(s):  
V.M. Gurevich ◽  
V.O. Osadchii ◽  
V.B. Polyakov ◽  
K.S. Gavrichev ◽  
E.G. Osadchii
Keyword(s):  
Heat Capacity ◽  
Solid State ◽  
Thermodynamic Functions ◽  
Galvanic Cell

scholarly journals The role of aromatic residues in the hydrophobic core of the villin headpiece subdomain

2009 ◽  
Vol 11 (3) ◽  
pp. 680-687 ◽  
Author(s):  
Benjamin S. Frank ◽  
Didem Vardar ◽  
Deirdre A. Buckley ◽  
C. James McKnight
Keyword(s):  
Hydrophobic Core ◽  
Villin Headpiece ◽  
Aromatic Residues

Heat capacity, enthalpy fluctuations, and configurational entropy in broken ergodic systems

2010 ◽  
Vol 133 (16) ◽  
pp. 164503 ◽  
Author(s):  
John C. Mauro ◽  
Roger J. Loucks ◽  
Sabyasachi Sen
Keyword(s):  
Heat Capacity ◽  
Configurational Entropy

scholarly journals Atomic-resolution structure of cytoskeletal bactofilin by solid-state NMR

2015 ◽  
Vol 1 (11) ◽  
pp. e1501087 ◽  
Author(s):  
Chaowei Shi ◽  
Pascal Fricke ◽  
Lin Lin ◽  
Veniamin Chevelkov ◽  
Melanie Wegstroth ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Caulobacter Crescentus ◽  
Heavy Atom ◽  
Cytoskeletal Proteins ◽  
Atomic Resolution ◽  
Hydrophobic Core ◽  
X Ray Crystallography ◽  
Wide Range ◽  
Resolution Structure

Bactofilins are a recently discovered class of cytoskeletal proteins of which no atomic-resolution structure has been reported thus far. The bacterial cytoskeleton plays an essential role in a wide range of processes, including morphogenesis, cell division, and motility. Among the cytoskeletal proteins, the bactofilins are bacteria-specific and do not have a eukaryotic counterpart. The bactofilin BacA of the speciesCaulobacter crescentusis not amenable to study by x-ray crystallography or solution nuclear magnetic resonance (NMR) because of its inherent noncrystallinity and insolubility. We present the atomic structure of BacA calculated from solid-state NMR–derived distance restraints. We show that the core domain of BacA forms a right-handed β helix with six windings and a triangular hydrophobic core. The BacA structure was determined to 1.0 Å precision (heavy-atom root mean square deviation) on the basis of unambiguous restraints derived from four-dimensional (4D) HN-HN and 2D C-C NMR spectra.

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