Listar Centro de investigación de Nanotecnología Aplicada (CNAP) por título
Mostrando ítems 67-86 de 91
-
Polyaniline Based Materials as a Method to Eliminate Haloanisoles in Spirits Beverages
(AMER CHEMICAL SOC, 2018)In this research, the abilities of two polyaniline-based materials (PANI-EB and PANI-ES) were evaluated as potential fining agents to eliminate 2,4,6-trichloroanisole (TCA) and 2,4,6-tribromoanisole (TBA). The results ... -
Prelimary Results of the Reaction of Cyclotrimerization of Phenylacetylene [2+2+2] Catalyzed by [(Cp*)Co(Indene)] Complex
(Sociedad Chilena de Química, 2018-03)This work describes the catalytic study of [(Cp*)Co(Ind)] (with Cp*- pentamethylcyclopentadienyl, Ind = Indenyl, (C9H7)) complex in cyclotrimerization of phenylacetylene. From the cylcotrimerization reaction was possible ... -
Probing radiation resistance in simulated metallic core-shell nanoparticles
(ELSEVIER, 2023-08)We present molecular dynamics (MD) simulations of radiation damage in Fe nanoparticles (NP) and bimetallic FeCu core-shell nanoparticles (CSNP). The CSNP includes a perfect body-centered cubic (bcc) Fe core coated with a ... -
Protein capped nanosilver free radical oxidation: role of biomolecule capping on nanoparticle colloidal stability and protein oxidation
(ROYAL SOC CHEMISTRY, 2018)We studied the effect of human serum albumin protein capped spherical nanosilver on the nanoparticle stability upon peroxyl radical oxidation. The nanoparticle-protein composite is less prone to oxidation compared to the ... -
Rational Design, Synthesis and Evaluation of CD-Containing as a Prednisone Delivery Platform
(Facultad de Ciencias, 2018)This study describes the in-silico rational design, synthesis and evaluation of cross-linked polyvinyl alcohol hydrogels containing γ-cyclodextrin (γ-CDHSAs) as platforms for the sustained release of prednisone (PDN). ... -
Relationship between photo-physical and electrochemical properties of D--A compounds regarding solar cell applications. 1. Substituent type effect in photovoltaic performance
(SPRINGER, 2019)Studying the electrochemical characteristics is an important step for determining interactions between molecules and the chemical environment. Moreover, the electrochemical evaluation of dyes is highly needed to establish ... -
Simple voltammetric analyses of ochratoxin A in food samples using highly-stable and anti-fouling black phosphorene nanosensor
(PERGAMON-ELSEVIER SCIENCE LTD, 2018)There are few reports on the electrochemical detection of ochratoxin A (OTA) using chemically modified electrode owing to the OTA poor electrochemical activity and strong fouling effect towards electrode surface. In this ... -
Simulated mechanical properties of finite-size graphene nanoribbons
(IOP Publishing Ltd., 2021-01)There are many simulation studies of mechanical properties of graphene nanoribbons (GNR), but there is a lack of agreement regarding elastic and plastic behavior. In this paper we aim to analyze mechanical properties of ... -
Simulated nanoindentation into single-phase fcc FexNi1-x alloys predicts maximum hardness for equiatomic stoichiometry
(NATURE PORTFOLIO, 2023-06-16)We investigate by molecular dynamics simulation the mechanical behavior of concentrated alloys under nanoindentation for the special example of single-phase fcc FexNi1-x alloys. The indentation hardness is maximum for the ... -
Size and temperature dependent magnetization of iron nanoclusters
(Chile. Universidad Mayor, 2020)The magnetic behavior of bcc iron nanoclusters, with diameters between 2 and 8 nm, is investigated by means of spin dynamics simulations coupled to molecular dynamics, using a distance-dependent exchange interaction. ... -
Soft or Hard? Investigating the Deformation Mechanisms of Au-Pd and Pd Nanocubes under Compression: An Experimental and Molecular Dynamics Study
(AMER CHEMICAL SOC, 2021-11-18)In the search for new mechanisms to improve and control the mechanical properties of nanostructures, the idea of tuning the strength through composition is appealing because of the extensive experimental availability of ... -
Spin-lattice dynamics of surface vs core magnetization in Fe nanoparticles
(AIP Publishing, 2021-07-05)Magnetization of clusters is often simulated using atomistic spin dynamics for a fixed lattice. Coupled spin-lattice dynamics simulations of the magnetization of nanoparticles have, to date, neglected the change in the ... -
Spin-lattice-dynamics analysis of magnetic properties of iron under compression
(NATURE PORTFOLIO, 2023-08-31)Compression of a magnetic material leads to a change in its magnetic properties. We examine this effect using spin-lattice dynamics for the special case of bcc-Fe, using both single- and poly-crystalline Fe and a bicontinuous ... -
Structural Relaxation and Crystalline Phase Effects on the Exchange Bias Phenomenon in FeF2/Fe Core/Shell Nanoparticles
(John Wiley and Sons Ltd, 2020-09)In this study, the power of first-principles methods along with molecular dynamics and atomistic Monte Carlo simulations is employed to elucidate the effects of the structural relaxation on the exchange bias (EB) behavior ... -
Structural, electronic and catalytic properties of palladium nanoparticles supported on poly(ionic liquid)
(ELSEVIER SCIENCE BV, 2018)The structural, electronic and support effect on palladium nanoparticles (Pd NPs) prepared by sputtering deposition and chemical reduction of a Pd(II) precursor in/on a poly(ionic liquid) (PIL) was investigated in the ... -
Structure-Activity Relationships Based on 3D-QSAR CoMFA/CoMSIA and Design of Aryloxypropanol-Amine Agonists with Selectivity for the Human 3-Adrenergic Receptor and Anti-Obesity and Anti-Diabetic Profiles
(MDPI, 2018)The wide tissue distribution of the adrenergic 3 receptor makes it a potential target for the treatment of multiple pathologies such as diabetes, obesity, depression, overactive bladder (OAB), and cancer. Currently, there ... -
Synthesis and Characterization of a 2,3-Dialkoxynaphthalene-Based Conjugated Copolymer via Direct Arylation Polymerization (DAP) for Organic Electronics
(MDPI, 2020-06-19)Poly[(5,5'-(2,3-bis(2-ethylhexyloxy)naphthalene-1,4-diyl)bis(thiophene-2,2'-diyl))-alt-(2,1,3-benzothiadiazole-4,7-diyl)] (PEHONDTBT) was synthesized for the first time and through direct arylation polymerization (DAP) for ... -
Testing the Test: A Comparative Study of Marine Microbial Corrosion under Laboratory and Field Conditions
(AMER CHEMICAL SOC, 2021-06-25)Microbially influenced corrosion (MIC) is an aggressive type of corrosion that occurs in aquatic environments and is sparked by the development of a complex biological matrix over a metal surface. In marine environments, ... -
Toward Controlled Morphology of FeCu Nanoparticles: Cu Concentration and Size Effects
(AMER CHEMICAL SOC, 2018)Bimetallic nanoparticles (NPs) can be tailored by varying the concentration of their constituent elements, resulting in novel structures and/or configurations, leading to interesting electronic, mechanical, and chemical ... -
Tri-functional oligomeric polyesters prepared from new dicarboxylic acids containing several amino acids residues by Higashi methodology: synthesis, characterization, and study of solubility and thermal behavior
(Chile. Universidad Mayor, 2021)The synthesis of polyfunctional aliphatic oligomeric polyesters (poly(ether-imido-esters;PEIEs) containing several amino acid residues is described, and their thermal properties and solubility behavior were studied. The ...