On the Generalized Borel Transform and its Application to the Statistical Mechanics of Macromolecules

We present a new integral transform called the Generalized Borel Transform (GBT) and show how to use it to compute some distribution functions used to describe the statistico-mechanical behavior of macromolecules. For this purpose, we choose the Random Flight Model (RFM) of macromolecules and show that the application of the GBT to this model leads to the exact expression of the polymer propagator (two-point correlation function) from which all the statistical properties of the model can be obtained. We also discuss the mathematical simplicity of the GBT and its applicability to polymers with other topologies.Comment: 21 pages, 2 figure

Alert threshold assessment based on equivalent displacements for the identification of potentially critical landslide events

Over the past years, the growing number of natural hazards all over the world has led to an increasing focus on activities aimed at studying and controlling the occurrence of these phenomena. In this context, monitoring systems have become a fundamental component for Landslide Early Warning Systems, allowing to understand the evolution of these processes and assess the need for dedicated mitigation measures. This result is achieved thanks to several technological advancements that led to the introduction of more accurate and reliable sensors, as well as automatic procedures for data acquisition and elaboration. However, despite these improvements, the data interpretation process is still a challenging task, in particular when it comes to the identification of critical events and failure forecasting operations. This paper presents a methodology developed to assess if a potentially critical event is displaying a significant deviation from previously sampled data, or if it could be classified as a false alarm. The process relies on the definition of a threshold value based on the landslide behavior preceding the event of interest. In particular, the reference value derives from the evaluation of equivalent displacements, defined as the displacements previously observed in a time interval equal to the one showed by the potentially critical event. This paper reports a series of examples referring to different case studies, involving both false alarms and real collapses, underlining the effectiveness of the proposed model as a useful tool to evaluate the landslide behavior with a near-real-time approach

How Does the Coupling of Secondary and Tertiary Interactions Control the Folding of Helical Macromolecules?

The authors study how the simultaneous presence of short-range secondary and long-range tertiary interactions controls the folding and collapse behavior of a helical macromolecule. The secondary interactions stabilize the helical conformation of the chain, while the tertiary interactions govern its overall three-dimensional shape. The authors have carried out Monte Carlo simulations to study the effect of chain length on the folding and collapse behavior of the chain. They have calculated state diagrams for four chain lengths and found that the physics is very rich with a plethora of stable conformational states. In addition to the helix-coil and coil-globule transitions, their model describes the coupling between them which takes place at low temperatures. Under these conditions, their model predicts a cascade of continuous, conformational transitions between states with an increase in the strength of the tertiary interactions. During each transition the chain shrinks, i.e., collapses, in a rapid and specific manner. In addition, the number of the transitions increases with increasing chain length. They have also found that the low-temperature regions of the state diagram between the transition lines cannot be associated with specific structures of the chain, but rather, with ensembles of various configurations of the chain with similar characteristics. Based on these results the authors propose a mechanism for the folding and collapse of helical macromolecules which is further supported by the analysis of configurational, configurational, and thermodynamic properties of the chain

Statistical Mechanics of Worm-Like Polymers from a New Generating Function

We present a mathematical approach to the worm-like chain model of semiflexible polymers. Our method is built on a novel generating function from which all the properties of the model can be derived. Moreover, this approach satisfies the local inextensibility constraint exactly. In this paper, we focus on the lowest order contribution to the generating function and derive explicit analytical expressions for the characteristic function, polymer propagator, single chain structure factor, and mean square end-to-end distance. These analytical expressions are valid for polymers with any degree of stiffness and contour length. We find that our calculations are able to capture the fully flexible and infinitely stiff limits of the aforementioned quantities exactly while providing a smooth and approximate crossover behavior for intermediate values of the stiffness of the polymer backbone. In addition, our results are in very good quantitative agreement with the exact and approximate results of five other treatments of semiflexible polymers. (C) 2004 American Institute of Physics

Coupling Between Helix-Coil and Coil-Globule Transitions in Helical Polymers

We explore the coupling between the helix-coil and coil-globule transitions of a helical polymer using Monte Carlo simulations. A very rich state diagram is found. Each state is characterized by a specific configuration of the chain which could be a helix, a random coil, an amorphous globule, or one of various other globular states which carry residual helical strands. We study the boundaries between states and provide further insight into the physics of the system with a detailed analysis of the order parameter and other properties

Health Reform and its Impact on Workers in this Sector: the Case of the National Clinical Hospital in Cordoba, Argentina

Objectives: To analyze the changes produced after neo-liberal reforms in public services in Argentinean structure and organization of the work, as well as its effect on labor and social relations in the National Clinical Hospital

Coupling Between Lysozyme and Glycerol Dynamics: Microscopic Insights from Molecular-Dynamics Simulations

We explore possible molecular mechanisms behind the coupling of protein and solvent dynamics using atomistic molecular-dynamics simulations. For this purpose, we analyze the model protein lysozyme in glycerol, a well-known protein-preserving agent. We find that the dynamics of the hydrogen bond network between the solvent molecules in the first shell and the surface residues of the protein controls the structural relaxation (dynamics) of the whole protein. Specifically, we find a power-law relationship between the relaxation time of the aforementioned hydrogen bond network and the structural relaxation time of the protein obtained from the incoherent intermediate scattering function. We demonstrate that the relationship between the dynamics of the hydrogen bonds and the dynamics of the protein appears also in the dynamic transition temperature of the protein. A study of the dynamics of glycerol as a function of the distance from the surface of the protein indicates that the viscosity seen by the protein is not the one of the bulk solvent. The presence of the protein suppresses the dynamics of the surrounding solvent. This implies that the protein sees an effective viscosity higher than the one of the bulk solvent. We also found significant differences in the dynamics of surface and core residues of the protein. The former is found to follow the dynamics of the solvent more closely than the latter. These results allowed us to propose a molecular mechanism for the coupling of the solvent-protein dynamics. (c) 2005 American Institute of Physics