Search results for "Dynamics"

“Less invasive” surgery in the treatment of cutaneous chronic ulcers of the lower limb in elderly

2010

The role of treatment of vascular lesions of the legs is very important in the elderly. Pain, inability, bandages, periodicity of medications can seriously interfere with a good quality of life because of the lower compliance of geriatric patients to accept a surgical approach. To allow a new approach to vascular lesions the Authors propose a guideline in which the topic of “less invasive” surgery is underlined based on their pathophysiological causes. Patients affected with lesions of the legs are addressed to the Leg Ulcers Centre by general physicians and selected on the basis of age and comorbility to propose a therapeutical plan. General conditions, evaluation of lesions healing and of…

Evaluation of a lattice-Boltzmann method for mercury intrusion porosimetry simulations

2004

We have simulated intrusion of a non-wetting liquid into pores of varying shape and size. Simulations were based on the lattice-Boltzmann method and the Shan–Chen multiphase model. The liquid–solid contact angle for pores with circular cross-section was found to be equal to that for pores with square cross-section, and constant even for small pore sizes if the discretised shape of the circular cross-section was taken into account. For comparison, contact angle was also determined for a liquid column descending in a capillary tube, and the results were found to be consistent. Application of the method to mercury intrusion porosimetry is discussed.

Dinámica de la microbiota en niños, adolescentes y adultos

2022

La microbiota intestinal se implanta a lo largo del desarrollo del individuo y su composición y funciones difieren según la edad. Conocer los cambios que se producen en la microbiota intestinal a lo largo de la vida puede ayudar al diagnóstico, tratamiento y prevención de enfermedades relacionadas con alteraciones metabólicas e inmunitarias. Con este trabajo pretendemos contribuir a la comprensión del proceso de desarrollo de la microbiota intestinal, centrándonos en dos períodos que han recibido poca atención: los primeros años y la adolescencia. Hemos determinado la composición y la función de la microbiota a través de enfoques metagenómicos de genoma completo y basados ​​en ARN ribosómic…

Longitudinal metagenomics

2018

Culture-independent approaches are revolutionizing biology. Whether in a clinical or in an environmental sample, metagenomics can reveal which microorganisms exist and what they actually do. Metagenomic studies have unveiled more microbial diversity in a few years than traditional microbiology in centuries. From the top branches down to the roots, its discoveries are reshaping the tree of life dramatically. Metagenomics is a powerful tool for the study of microbial communities, but it requires equally powerful methods of analysis. Current challenges in the analysis of metagenomic data include the accurate comparison of samples, the estimation of the uncertainty in the results, and the effec…

CH vs. HC—Promiscuous Metal Sponges in Antimicrobial Peptides and Metallophores

2023

Histidine and cysteine residues, with their imidazole and thiol moieties that deprotonate at approximately physiological pH values, are primary binding sites for Zn(II), Ni(II) and Fe(II) ions and are thus ubiquitous both in peptidic metallophores and in antimicrobial peptides that may use nutritional immunity as a way to limit pathogenicity during infection. We focus on metal complex solution equilibria of model sequences encompassing Cys–His and His–Cys motifs, showing that the position of histidine and cysteine residues in the sequence has a crucial impact on its coordination properties. CH and HC motifs occur as many as 411 times in the antimicrobial peptide database, while …

NONEQUILIBRIUM PHENOMENA AND METASTABILITY IN MESOSCOPIC AND QUANTUM SYSTEMS

2020

Here we summarize some relevant results related to nonequilibrium phenomena in mesoscopic and quantum systems. A common phenomenon in the dynamics of out-of-equilibrium systems is the metastability, and the problem of the lifetime of metastable states involves fundamental aspects of nonequilibrium statistical mechanics. Metastability (see Fig. 1) is a signature of a first order phase transition, often characterized by a long-living metastable state. In particular, the stability of a metastable state can be enhanced by Gaussian and non-Gaussian noise sources. This counterintuitive effect has been found in different physical areas, ranging from spintronics, aggregation kinetics of Brownian pa…

Patterns of word reading skill, interest and self-concept of ability

2016

AbstractThe majority of previous research on academic skills, self-concept of ability and interest has deployed the variable-oriented approach and focused on self-concept, or ability, or interest only. This study examined the patterns and dynamics of pattern change in Finnish children’s word reading skill, self-concept of ability and interest from kindergarten to Grade 2. Six groups of children were identified by using the I-states as objects analysis (ISOA) procedure: (a) low skills, negative self-concept but high interest; (b) high skills but low interest; (c) average; (d) high skills, positive self-concept and high interest; (e) low skills, negative self-concept and low interest; and (f)…

Atomistic MD simulation of proteins in complex solvents

2009

Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening.

2015

In drug discovery the reliable prediction of binding free energies is of crucial importance. Methods that combine molecular mechanics force fields with continuum solvent models have become popular because of their high accuracy and relatively good computational efficiency. In this research we studied the performance of molecular mechanics generalized Born surface area (MM-GBSA), molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), and solvated interaction energy (SIE) both in their virtual screening efficiency and their ability to predict experimentally determined binding affinities for five different protein targets. The protein-ligand complexes were derived with two different app…

A magnetic look into the protecting layer of Au25 clusters

2016

The field of molecular metal clusters protected by organothiolates is experiencing a very rapid growth. So far, however, a clear understanding of the fine interactions between the cluster core and the capping monolayer has remained elusive, despite the importance of the latter in interfacing the former to the surrounding medium. Here, we describe a very sensitive methodology that enables comprehensive assessment of these interactions. Pulse electron nuclear double resonance (ENDOR) was employed to study the interaction of the unpaired electron with the protons of the alkanethiolate ligands in four structurally related paramagnetic Au25(SR)0 18 clusters (R ¼ ethyl, propyl, butyl, 2-methylpro…