Search results for "Modeling"

Solute-induced Water Structure: Computer Simulation on a Model System

1988

Abstract Two series of Monte Carlo simulations have been carried out on a system consisting of 125 water molecules, one of which is kept fixed to simulate a water molecule whose mobility is restricted by a solute. The results are checked against similar simulations without restrictions, used as a control, and they show how the blocked molecule helps increase both the structural order and the connectivity of the hydrogen bond network. Cooperativity originating from proton polarizability of H-bonds and/or from many-body terms of interaction potentials cannot be involved since we use a rigid water model and ab initio pair potentials. The present findings are interpreted as indicative of a moti…

Genetically flexible murine organoids for mechanistic and functional modeling of cholangiocarcinoma

2019

Comparison of different phosphorus-containing ligands complexing 68Ga for PET-imaging of bone metabolism

2010

Abstract 99mTc-phosphonate structures are well established tracers for bone tumour imaging. Our objective was to investigate different 68Ga-labelled phosphonate ligands concerning labelling kinetics, binding to hydroxyapatite and bone imaging using μ-PET. Seven macrocyclic phosphorus-containing ligands and EDTMP were labelled in nanomolar scale with n.c.a. 68Ga in Na-HEPES buffer at pH∼4. Except for DOTP, all ligands were labelled with >92% yield. Binding of the 68Ga-ligand complexes on hydroxyapatite was analysed to evaluate the effect of the number of the phosphorus acid groups on adsorption parameters. Adsorption of 68Ga-EDTMP and 68Ga-DOTP was >83%. For the 68Ga-NOTA-phosphonates …

Mixed microalgae culture for ammonium removal in the absence of phosphorus: Effect of phosphorus supplementation and process modeling

2014

Microalgal growth and ammonium removal in a P-free medium have been studied in two batch photobioreactors seeded with a mixed microalgal culture and operated for 46 days. A significant amount of ammonium (106 mg NH4-Nl(-1)) was removed in a P-free medium, showing that microalgal growth and phosphorus uptake are independent processes. The ammonium removal rate decreased during the experiment, partly due to a decrease in the cellular phosphorus content. After a single phosphate addition in the medium of one of the reactors, intracellular phosphorus content of the corresponding microalgal culture rapidly increased, and so did the ammonium removal rate. These results show how the amount of phos…

Spanish Adaptation of the Inventory Brief Child Abuse Potential and the Protective Factors Survey

2021

Child maltreatment is a public health problem with different consequences depending on the form of abuse. Measuring risk and protective factors has been a fertile ground for research, without involving instruments with sufficient evidence of validity. The aim of the study was to gather evidence of validity and reliability of the Inventory Brief Child Abuse Potential (IBCAP) and Protective Factors Survey (PFS) in the Mexican population. The instruments were translated into Spanish. In a non-probabilistic sample of 200 participants, the 7-factor model for the IBCAP [comparative fit index (CFI) = 0.984; root mean square error of approximation (RMSEA) = 0.067] and the 4-factor model for the PFS…

Chlorophyll Concentration Retrieval by Training Convolutional Neural Network for Stochastic Model of Leaf Optical Properties (SLOP) Inversion

2020

Miniaturized hyperspectral imaging techniques have developed rapidly in recent years and have become widely available for different applications. Combining calibrated hyperspectral imagery with inverse physically based reflectance models is an interesting approach for estimating chlorophyll concentrations that are good indicators of vegetation health. The objective of this study was to develop a novel approach for retrieving chlorophyll a and b values from remotely sensed data by inverting the stochastic model of leaf optical properties using a one-dimensional convolutional neural network. The inversion results and retrieved values are validated in two ways: A classical machine learning val…

Amino acids in the second transmembrane helix of the Lhca4 subunit are important for formation of stable heterodimeric light-harvesting complex LHCI-…

2007

Photosynthetic light-harvesting complexes (LHCs) are assembled from apoproteins (Lhc proteins) and non-covalently attached pigments. Despite a considerable amino acid sequence identity, these proteins differ in their oligomerization behavior. To identify the amino acid residues determining the heterodimerization of Lhca1 and Lhca4 to form LHCI-730, we mutated the poorly conserved second transmembrane helix of the two subunits. Mutated genes were expressed in Escherichia coli and the resultant proteins were refolded in vitro and subsequently analyzed by gel electrophoresis. Replacement of the entire second helix in Lhca4 by the one of Lhca3 abolished heterodimerization, whereas it had no eff…

Dynamics of Two Picophytoplankton Groups in Mediterranean Sea: Analysis of the Deep Chlorophyll Maximum by a Stochastic Advection-Reaction-Diffusion …

2013

A stochastic advection-reaction-diffusion model with terms of multiplicative white Gaussian noise, valid for weakly mixed waters, is studied to obtain the vertical stationary spatial distributions of two groups of picophytoplankton, i.e., picoeukaryotes and Prochlorococcus, which account about for 60% of total chlorophyll on average in Mediterranean Sea. By numerically solving the equations of the model, we analyze the one-dimensional spatio-temporal dynamics of the total picophytoplankton biomass and nutrient concentration along the water column at different depths. In particular, we integrate the equations over a time interval long enough, obtaining the steady spatial distributions for th…

In situ analysis of suspensions of calcium silicate hydrate : application to the study of ionics interactions at the surface of the particules

2014

This project aims to study the interactions between calcium silicate hydrate (C-S-H) and different anions (chlorides, bromides, nitrates and sulfates) in order to build a thermodynamic model and then be predictable. The simplified system CaO-SiO2-H2O is studied by synthesizing C-S-H suspensions and mixing them with different kind of salts (calcium salt or alkali salt). The influence of the temperature and the presence of aluminum in the structure of the C-S-H is also examined.A classical way to investigate this kind of system is to separate the liquid phase from the solid phase in order to analyze them separately. Nevertheless, this step has a large influence on the system, and the experime…

A critical assessment of methods for the determination of the shear stress amplitude in multiaxial fatigue criteria belonging to critical plane class

2015

Abstract Multiaxial high cycle fatigue criteria based on the critical plane approach necessitate unambiguous definitions of the amplitude and mean value of the shear stress (τa and τm) acting on the material planes. Four of the existing definitions relate the values of τa and τm to a geometrical element of the curve described by the tip of the shear stress vector (curve Ψ), respectively, the radius of the Minimum Circumscribed Circle, the Longest Chord, the Longest Projection, the diagonal of the Maximum Rectangular Hull (MRH). In this paper a critical assessment of the above definitions is proposed, focusing on that based on the concept of MRH, which is the most recently developed. The mai…