Search results for "Models"

Polymerizable phospholipid analogues--new stable biomembrane and cell models.

1980

Energy-stable linear schemes for polymer-solvent phase field models

2017

We present new linear energy-stable numerical schemes for numerical simulation of complex polymer-solvent mixtures. The mathematical model proposed by Zhou, Zhang and E (Physical Review E 73, 2006) consists of the Cahn-Hilliard equation which describes dynamics of the interface that separates polymer and solvent and the Oldroyd-B equations for the hydrodynamics of polymeric mixtures. The model is thermodynamically consistent and dissipates free energy. Our main goal in this paper is to derive numerical schemes for the polymer-solvent mixture model that are energy dissipative and efficient in time. To this end we will propose several problem-suited time discretizations yielding linear scheme…

Counterion-mediated attraction and kinks on loops of semiflexible polyelectrolyte bundles.

2006

The formation of kinks in a loop of bundled polyelectrolyte filaments is analyzed in terms of the thermal fluctuations of charge density due to polyvalent counterions adsorbed on the polyelectrolyte filaments. It is found that the counterion-mediated attraction energy of filaments depends on their bending. By consideration of curvature elasticity energy and counterion-mediated attraction between polyelectrolyte filaments, the characteristic width of the kink and the number of kinks per loop is found to be in reasonable agreement with existing experimental data for rings of bundled actin filaments.

Biomolecular-solvent stereodynamic coupling probed by deuteration.

1983

Thermodynamic interpretation of experiments with isotopically perturbed solvent supports the view that solvent stereodynamics is directly relevant to thermodynamic stability of biomolecules. According with the current understanding of the structure of the aqueous solvent, in any stereodynamic configuration of the latter, connectivity pathways are identifiable for their topologic and order properties. Perturbing the solvent by isotopic substitution or, e.g., by addition of co-solvents, can therefore be viewed as reinforcing or otherwise perturbing these topologic structures. This microscopic model readily visualizes thermodynamic interpretation. In conclusion, the topologic stereodynamic str…

Antioxidant compound supplementation prevents oxidative damage in a Drosophila model of Parkinson's disease

2013

Loss-of-function mutations in the DJ-1 gene are linked to rare autosomal recessive forms of parkinsonism. In Drosophila, two DJ-1 orthologs have been identified, DJ-1α and DJ-1β. Several studies have shown that DJ-1β mutant flies are viable and fertile but exhibit age-dependent locomotor defects, shortened life span, and enhanced sensitivity to toxins that induce oxidative stress response compared to control flies. We also demonstrated that long-term dietary supplementation with antioxidant compounds was effective at increasing life-span values of DJ-1β mutants. These results, together with high levels of oxidative stress markers detected in newly eclosed DJ-1β mutant flies compared to cont…

Prebiotic polypeptides and the origin of biological information.

1983

Recent data on the origin of biological information are reviewed. These data corroborate the view that polyamino acids were the first informational polymers. The source of information is seen in the chemical reactivity of amino acids, their prebiotic abundance and the prebiotic environment. Evidence is presented in favor of Matsuno's protohypercycle that may have preceded Eigen's hypercycle, but that involves a translation of information from polypeptides into that of polynucleotides.

On the calculation of free energy of mixing for aqueous polymer solutions with group-contribution models

2010

Abstract Liquid–liquid phase separation processes are currently used as a route to prepare polymeric porous structures for various applications (membranes and scaffolds for tissue engineering). In membrane and foam fabrication technologies, binary and mainly ternary polymer solutions are used. Membrane morphology is strongly affected by phase equilibria of processing solution. In order to achieve a better control of membrane morphology and to explore a wide quantity of solvents, a predictive tool addressing experimentals would be strongly advisable. In this paper, group contribution models were chosen to test the applicability on a PLLA–dioxane–water ternary polymer solution, whose experime…

Dinuclear copper(II) complexes as testing ground for molecular magnetism theory

2019

Abstract A leitmotiv in the field of molecular magnetism is the study of the electron exchange (EE) magnetic interactions among distant metal centers through the corresponding bridging ligands in polynuclear coordination compounds. The present review provides a historical perspective on the use of dinuclear copper(II) complexes with either simple inorganic or extended organic bridging ligands as experimental and theoretical models for the fundamental research on the relative importance of the spin delocalization and spin polarization mechanisms of the EE interaction across σ- and π-type orbital pathways. Particular focus is placed on the work by Professor Miguel Julve, outstanding researche…

Plant iNOS: conquest of the Holy Grail

2003

In animals, nitric oxide (NO) is produced by a family of enzymes named nitric oxide synthases (NOSs). Although no NOS-like gene has been found in the Arabidopsis thaliana genome, biochemical studies have suggested that a NOS-like protein is likely to be activated in plants resisting pathogens. This protein has been recently identified as a variant P protein of glycine decarboxylase. This discovery means that studies of nitric oxide signalling functions in plants are now entering a new phase.

Use of biological and sedimentation models for designing Peñíscola WWTP.

2004

This paper presents Peñíscola wastewater treatment plant design. Peñíscola is a tourist city in Castellón (Spain), whose population changes significantly between summer and the rest of the year. The design of the biological and settling treatment units has been confirmed by computer model simulations and provided for biological organic matter, nitrogen and phosphorus removal. Two different treatment schemes have been proposed in order to optimize the plant performance during both seasonal operations. During low-load season, the plant will be operated under extended aeration conditions, so further sludge stabilization will not be needed. During high-load season, the plant will be operated un…