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Simple two-state folding kinetics of many small single-domain proteins are characterized by chevron plots with linear folding and unfolding arms consistent with a two-state description of equilibrium thermodynamics. This phenomenon is…

Soft Condensed Matter · Physics 2007-05-23 Huseyin Kaya , Hue Sun Chan

We study the thermodynamic behavior of a simple off-lattice model for protein folding. The model is two-dimensional and has two different ``amino acids''. Using numerical simulations of all chains containing eight or ten monomers, we…

chem-ph · Physics 2009-10-28 Anders Irbäck , Frank Potthast

The temperature (T) dependent x-ray diffraction (XRD) and resistivity measurements of La0.175Pr0.45Ca0.375MnO3 (LPCMO) have been performed down to 2K to understand the structural and transport properties. From room temperature down to 220K,…

Materials Science · Physics 2016-06-22 Shivani Sharma , Aga Shahee , Kiran Singh , N. P. Lalla

Intensity of positron reemission from a metal is related to its work function. This property is dependent on temperature and can be modified with temperature control. In this article a simple model is proposed to explain and predict the…

Materials Science · Physics 2016-02-05 Reza Rahemi

PDZ (Post-synaptic density-95/discs large/zonula occludens-1) domains are relatively small (80 to 120 residues) protein binding modules central in the organization of receptor clusters and in the association of cellular proteins. Their main…

Electrodynamic interactions between biomolecules are of potential biological interest for signaling warranting investigation of their activation through various mechanisms in living systems. Here, using as model system a light harvesting…

In the coordinate representation of thermofield dynamics, we investigate the thermalized displaced squeezed thermal state which involves two temperatures successively. We give the wavefunction and the matrix element of the density operator…

Quantum Physics · Physics 2008-11-26 Wen-Fa Lu

We have investigated temperature trends of the microscopic structure of the SPC/E and TIP4P-Ew water models in terms of the pair distribution functions, coordination numbers, the average number of hydrogen bonds, the distribution of bonding…

Soft Condensed Matter · Physics 2016-08-08 E. Galicia-Andrés , H. Dominguez , O. Pizio

The structural property of liquid cesium is investigated in the temperature range 900 K to 1900 K by application of semiempirical effective Lennard-Jones (8.5-4) pair potential function and employing Gillan s algorithm to solve…

Statistical Mechanics · Physics 2007-05-23 Mohammad Hadi Ghatee , Mahmod Sanchooli

X-ray and neutron powder diffraction data as a function of temperature are analyzed for the colossal dielectric constant material CaCu3Ti4O12. The local structure is studied using atomic pair distribution function analysis. No evidence is…

Materials Science · Physics 2009-11-10 E. S. Bozin , V. Petkov , P. W. Barnes , P. M. Woodward , T. Vogt , S. D. Mahanti , S. J. L. Billinge

The temperature dependence of the rate of the reaction CH_4+H \to CH_3+H_2 is studied using classical collision theory with a temperature-dependent effective potential derived from a path integral analysis. Analytical expressions are…

Chemical Physics · Physics 2016-09-08 David Z. Goodson , Dustin W. Roelse , Wan-Ting Chiang , Steven M. Valone , J. D. Doll

The time evolution of the thermally activated decay rates is considered. This evolution is of particular importance for the recent nanoscale experiments discussed in the literature, where the potential barrier is relatively low (or the…

Statistical Mechanics · Physics 2021-04-21 Maria Chushnyakova , Igor Gontchar , Natalya Khmyrova

We investigate the transport of proteins inside the proteasome and propose an active transport mechanism based on a spatially asymmetric interaction potential of peptide chains. The transport is driven by fluctuations which are always…

Biomolecules · Quantitative Biology 2007-05-23 Alexei Zaikin , Thorsten Poeschel

In this work we study structural recovery of a soft glassy Laponite suspension by monitoring temporal evolution of elastic modulus under isothermal conditions as well as following step temperature jumps. Interestingly, evolution behavior…

Soft Condensed Matter · Physics 2013-06-25 Tanmay P. Dhavale , Shweta Jatav , Yogesh M Joshi

To what extent do general features of folding/unfolding kinetics of small globular proteins follow from their thermodynamic properties? To address this question, we investigate a new simplifed protein chain model that embodies a cooperative…

Soft Condensed Matter · Physics 2007-05-23 Huseyin Kaya , Hue Sun Chan

We study the temperature dependence of the conductivity of the 2D electronic solid. In realistic samples, a domain structure forms in the solid and each domain randomly orients in the absence of the in-plane field. At higher temperature,…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Shi-Jie Yang , Yue Yu

The kinetics and microstructure of solid-phase crystallization under continuous heating conditions and random distribution of nuclei are analyzed. An Arrhenius temperature dependence is assumed for both nucleation and growth rates. Under…

Materials Science · Physics 2017-04-26 J. Farjas , P. Roura

Self Consistent Normal Mode Analysis (SCNMA) is applied to heme c type cytochrome f to study temperature dependent protein motion. Classical Normal Mode Analysis (NMA) assumes harmonic behavior and the protein Mean Square Displacement (MSD)…

Biological Physics · Physics 2013-05-29 Jianguang Guo , Timo Budarz , Joshua M. Ward , Earl W. Prohofsky

Thermodynamical features of Xe system is investigated as functions of temperature and freeze-out density in the frame of lattice gas model. The calculation shows different temperature dependence of physical observables at different…

Nuclear Theory · Physics 2009-10-31 Y. G. Ma , Q. M. Su , W. Q. Shen , J. S. Wang , D. Q. Fang , X. Z. Cai , H. Y. Zhang , D. D. Han

The dynamics of a folded protein is studied in water and glycerol at a series of temperatures below and above their respective dynamical transition. The system is modeled in two distinct states whereby the protein is decoupled from the bulk…

Soft Condensed Matter · Physics 2008-09-23 C. Atilgan , A. O. Aykut , A. R. Atilgan