Search results for "MODY"
showing 10 items of 4576 documents
Quasiparticle properties of nonequilibrium gluon plasma
2018
We apply classical gluodynamics to early stages of ultrarelativistic heavy-ion collisions. We start by giving a brief overview of QCD. Then we proceed to the space-time evolution of ultrarelativistic heavy-ion collisions in the color glass condensate framework and go through the basics of real-time gluodynamics on the lattice in the temporal gauge. We study the plasmon mass scale in three- and two-dimensional systems by comparing three different methods to measure the mass scale. The methods are a formula which can be derived from Hard Thermal Loop effective theory at leading order (HTL), the effective dispersion relation (DR) and measurement of the plasma oscillation frequency triggered by th…
Estudio del mecanismo de reacción e inhibición de cisteína proteasas mediante métodos multiescala
2022
En esta tesis doctoral se realizaron estudios computacionales para las enzimas caspasa-1 y la 3CLpro del SARS-CoV-2. Estas enzimas pertenecen a la familia de las cisteína proteasas, las cuales hidrolizan sus respectivos sustratos rompiendo un enlace peptídico en particular. En esta reacción interviene una diada catalítica conformada por un par Cis-His. La caspasa-1 fue seleccionada debido a su importancia farmacológica en la enfermedad de Alzheimer, y la enzima 3CLpro del SARS-CoV-2 por estar involucrada en el proceso de replicación del virus responsable de la enfermedad del COVID-19. Para ambas se realizaron estudios que ayudaron a racionalizar el mecanismo de reacción con su sustrato natu…
Clay/Non-Ionic Surfactant Hybrid Nanocomposites
2020
This chapter gives an overview of the structural and chemical physical properties of nanocomposites formed by clay minerals and surfactants, which represent a class of materials with promising features for applications in different industrial, biomedical, and environmental applications. Due to their non-toxicity and biocompatibility, a great deal of attention is nowadays devoted to the study of non-ionic surfactants. Among them, block copolymers represent a combination of the properties of common amphiphilic molecules and long polymer chains. These macromolecules can form a great variety of supra-molecular structures generated from self-organization phenomena in aqueous media. Nanostructure…
Modeling and experimental approaches for the characterization of phase equilibria in polymer solutions
2012
Calculation of ternary polymer solution phase diagram via compressible lattice fluid model extended to specific interactions
2012
Ternary polymer solutions are currently employed for the production of porous structures (e.g. membranes and scaffolds for tissue engineering) via liquid-liquid phase separation techniques. The relation between processing conditions and thermodynamic features of the considered polymeric system determines the morphology of the as-prepared membrane. Therefore, in order to achieve a better control on a porous structure, a deep characterization of the phase behavior of a polymer solution is needed. The experimental derivation of phase diagrams is highly cost and time consuming, thus usually the cloud point curves of the system are directly measured. In this work, the compressible lattice fluid …
Latvijas rūpniecībai aktuālu farmaceitiski aktīvo vielu kristālsolvāti
2013
ANOTĀCIJA Promocijas darbs veltīts Latvijas tautsaimniecībai aktuālu farmaceitiski aktīvo vielu (FAV) izpētei. Veikti apskatīto vielu kristālsolvātu meklējumi un iegūtas līdz šim neaprakstītas vielu kristāliskās formas. Novērtēta iegūto formu stabilitāte iegūšanas, ražošanas un uzglabāšanas apstākļos. Atsevišķām FAV veikta struktūras noteikšana, gan izmantojot pulvera rentgendifraktometriju, gan monokristālu rentgendifraktometriju. Iegūtie rezultāti ir aktuāli zāļu ražotājiem, kā arī tiem ir zinātniska nozīme no FAV īpašību apzināšanas un metožu attīstības viedokļa. Atslēgas vārdi: kristālsolvāti, vielas stāvokļa diagramma, nestehiometriskie solvāti, vielu termodinamiskā stabilitāte, fāžu p…
QCD NLO with Powheg matching and top threshold matching in WHIZARD
2016
We present the status of the automation of NLO processes within the event generator WHIZARD. The program provides an automated FKS subtraction and phase space integration over the FKS regions, while the (QCD) NLO matrix element is accessed via the Binoth Les Houches Interface from an externally linked one-loop program. Massless and massive test cases and validation are shown for several e+e- processes. Furthermore, we discuss work in progress and future plans. The second part covers the matching of the NRQCD prediction with NLL threshold resummation to the NLO continuum top pair production at lepton colliders. Both the S-wave and P-wave production of the top pair are taken into account in t…
Parametric sensitivity of a CFD model concerning the hydrodynamics of trickle-bed reactor (TBR)
2016
Abstract The aim of the present study was to investigate the sensitivity of a multiphase Eulerian CFD model with respect to relations defining drag forces between phases. The mean relative error as well as standard deviation of experimental and computed values of pressure gradient and average liquid holdup were used as validation criteria of the model. Comparative basis for simulations was our own data-base obtained in experiments carried out in a TBR operating at a co-current downward gas and liquid flow. Estimated errors showed that the classical equations of Attou et al. (1999) defining the friction factors Fjk approximate experimental values of hydrodynamic parameters with the best agre…
Acid–base properties of functionalised tripodal polyamines and their interaction with nucleotides and nucleic acids
2010
Novel, highly positively charged tripodal polyamines with appended heterocyclic moieties revealed an intriguing panel of protonation species within the biologically relevant range. Studied compounds bind nucleotide monophosphates by mostly electrostatic interactions but only the imidazole analogue showed selectivity toward UMP in respect to other nucleotides. Strong binding of all the studied compounds to both ds-DNA and ds-RNA is to some extent selective toward the latter, showing rather rare RNA over DNA preference.
The two-fluid extended model of superfluid helium
2019
In this paper we perform the first numerical comparison between the two main existing models of superfluid helium: the two-fluid model proposed by Landau and the one-fluid extended model proposed from the extended thermodynamics. The numerical experiments in this paper regard the profiles of the so-called normal and superfluid components in 2D counterflow turbulence.