Adsorption of three-domain antifreeze proteins on ice: a study using LGMMAS theory and Monte Carlo simulations

2017 ◽  
Vol 19 (46) ◽  
pp. 31377-31388 ◽  
Author(s):  
Juan Ignacio Lopez Ortiz ◽  
Paola Torres ◽  
Evelina Quiroga ◽  
Claudio F. Narambuena ◽  
Antonio J. Ramirez-Pastor
Keyword(s):  
Monte Carlo ◽  
Statistical Mechanics ◽  
Monte Carlo Simulations ◽  
Antifreeze Proteins ◽  
Ice Surface ◽  
Remarkable Agreement

Statistical mechanics studies predict how three-domain antifreeze proteins adsorb on an ice surface, with a remarkable agreement with Monte Carlo simulations.

Adsorption thermodynamics of two-domain antifreeze proteins: theory and Monte Carlo simulations

2016 ◽  
Vol 18 (35) ◽  
pp. 24549-24559 ◽  
Author(s):  
Claudio F. Narambuena ◽  
Fabricio O. Sanchez Varretti ◽  
Antonio J. Ramirez-Pastor
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Antifreeze Proteins ◽  
Statistical Thermodynamics ◽  
Adsorption Thermodynamics

In this paper we develop the statistical thermodynamics of two-domain antifreeze proteins adsorbed on ice.

ENTROPIC REPULSION BETWEEN FLUCTUATING SURFACES

1990 ◽  
Vol 04 (11n12) ◽  
pp. 1763-1808 ◽  
Author(s):  
W. JANKE
Keyword(s):  
Monte Carlo ◽  
Simple Model ◽  
Statistical Mechanics ◽  
Monte Carlo Simulations ◽  
Long Range ◽  
Entropic Repulsion ◽  
Physical Systems ◽  
Model Surfaces ◽  
Out Of Plane ◽  
Repulsive Forces

The statistical mechanics of fluctuating surfaces plays an important role in a variety of physical systems, ranging from biological membranes to world sheets of strings in theories of fundamental interactions. In many applications it is a good approximation to assume that the surfaces possess no tension. Their statistical properties are then governed by curvature energies only, which allow for gigantic out-of-plane undulations. These fluctuations are the “entropic” origin of long-range repulsive forces in layered surface systems. Theoretical estimates of these forces for simple model surfaces are surveyed and compared with recent Monte Carlo simulations.

Thermodynamics and structure of macromolecules from flat-histogram Monte Carlo simulations

Soft Matter ◽  
2016 ◽  
Vol 12 (3) ◽  
pp. 642-657 ◽  
Author(s):  
Wolfhard Janke ◽  
Wolfgang Paul
Keyword(s):  
Monte Carlo ◽  
Statistical Mechanics ◽  
Monte Carlo Simulations ◽  
Polymer Chains

Over the last decade flat-histogram Monte Carlo simulations, especially multi-canonical and Wang–Landau simulations, have emerged as a strong tool to study the statistical mechanics of polymer chains.

Topological analyses and small-world patterns of hydrogen bond networks in water + t-butanol, water + n-butanol and water + ammonia mixtures

2014 ◽  
Vol 16 (36) ◽  
pp. 19479-19491 ◽  
Author(s):  
Juliana Angeiras Batista da Silva ◽  
Francisco George Brady Moreira ◽  
Vivianni Marques Leite dos Santos ◽  
Ricardo Luiz Longo
Keyword(s):  
Hydrogen Bond ◽  
Monte Carlo ◽  
Statistical Mechanics ◽  
Monte Carlo Simulations ◽  
Small World ◽  
Aqueous Mixtures ◽  
Hydrogen Bond Networks

H-bond networks in aqueous mixtures obtained by Monte Carlo simulations and analyzed by statistical mechanics based tools revealed small-word patterns.

Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

1996 ◽  
Vol 54 ◽  
pp. 478-479
Author(s):  
Matthew T. Johnson ◽  
Ian M. Anderson ◽  
Jim Bentley ◽  
C. Barry Carter
Keyword(s):  
Monte Carlo ◽  
Quantitative Analysis ◽  
Monte Carlo Simulations ◽  
Cross Section ◽  
Spatial Resolution ◽  
Low Voltage ◽  
Magnesium Ferrite ◽  
X Ray ◽  
Interaction Volume ◽  
Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

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