Publicaciones y Proyectos CNAP

14 junio 2024

Methylxanthines for halogen bonded cocrystals with 1, 4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies

Yoan Hidalgo

DOI: 10.1039/D4CE00138A

13 junio 2024

Tunable Optical Properties of Isoreticular UiO-67 MOFs for Photocatalysis: A Theoretical Study

Yoan Hidalgo

DOI: 10.1039/D4DT01017E

09 junio 2024

Perspectives on Solar Salt‐Based Nanofluids Used in Concentrated Solar Power Plants

Fabiola Pineda

DOI: 10.1002/solr.202400110

28 mayo 2024

Adsorption properties of M-UiO-66 (M = Zr(iv); Hf(iv) or Ce(iv)) with BDC or PDC linker

Yoan Hidalgo

DOI: 10.1039/D4DT00941J

17 abril 2024

Mimicking the Physicochemical Properties of the Cornea: A Low-Cost Approximation Using Highly Available Biopolymers

Manuel Ahumada

DOI:10.3390/polym16081118

01 abril 2024

Mg–Al LDH nanosheets as a nanotechnological tool in agriculture: an exploratory toxicity evaluation study

Manuel Ahumada

DOI: 10.1039/D3EN00733B

27 febrero 2024

Transforming Academic Research: A Business Model for Chemical-Computational Laboratory

DOI: 10.18421/TEM131-12

13 enero 2024

Oxidative stress promotes cytotoxicity in human cancer cell lines exposed to Escallonia spp. extracts

Manuel Ahumada

DOI: 10.1186/s12906-024-04341-4

31 diciembre 2023

High-entropy alloys: A review of their performance as promising materials for hydrogen and molten salt storage

Fabiola Pineda

DOI: 10.1515/rams-2023-0150

22 diciembre 2023

Plasticity in diamond nanoparticles: dislocations and amorphization during loading and dislocation multiplication during unloading

Rafael González

DOI: 10.1007/s10853-023-09223-7

19 noviembre 2023

Ionenes as Potential Phase Change Materials with Self-Healing Behavior

Pablo Ortiz

DOI: 10.3390/polym15224460

17 octubre 2023

Poly (ethylene imine)-chitosan carbon dots: study of its physical–chemical properties and biological in vitro performance

Manuel Ahumada

DOI: 10.1186/s11671-023-03907-4

21 septiembre 2023

Toxicity mechanisms of graphene oxide and cadmium in Microcystis aeruginosa: evaluation of photosynthetic and oxidative responses

Pamela Sepúlveda

DOI: 10.1016/j.aquatox.2023.106703

18 septiembre 2023

Impact of internal structure on aggregate collisions

DOI: 10.1093/mnras/stad2828

08 septiembre 2023

Fast Simultaneous Electrochemical Detection of Bisphenol-A and Bisphenol-S in Urban Wastewater using a Graphene Oxide-Iron Nanoparticles Hybrid Sensor

Pamela Sepúlveda

DOI: 10.1016/j.electacta.2023.143164

03 septiembre 2023

Cellular Automata Modeling as a Tool in Corrosion Management

Fabiola Pineda

DOI: 10.3390/ma16176051

01 septiembre 2023

Alumoxane film for corrosion protection of 2024 aluminum alloy

Fabiola Pineda

DOI: 10.1016/j.jmrt.2023.08.192

31 agosto 2023

Spin-lattice-dynamics analysis of magnetic properties of iron under compression

DOI: 10.1038/s41598-023-41499-2

01 agosto 2023

Probing radiation resistance in simulated metallic core–shell nanoparticles

Rafael González

DOI: 10.1016/j.commatsci.2023.112304

23 julio 2023

Electrochemical fabrication of nanowires poly (Indole-6-carboxylic acid) adorned with nanorod MnO2 for evaluation of its capacitive properties

DOI: 10.1016/j.electacta.2023.142937

07 julio 2023

Development of Novel Phase-Change Materials Derived from Methoxy Polyethylene Glycol and Aromatic Acyl Chlorides

Pablo Ortiz

DOI: 10.3390/polym15143069

19 junio 2023

Do dislocations always decrease thermal conductivity?

DOI: 10.1016/j.ijthermalsci.2023.108474

16 junio 2023

Simulated nanoindentation into single-phase fcc Fe x Ni 1-x alloys predicts maximum hardness for equiatomic stoichiometry

DOI: 10.1038/s41598-023-36899-3

15 junio 2023

Model based on COVID-19 evidence to predict and improve pandemic control

Rafael González

DOI: 10.1371/journal.pone.0286747

24 mayo 2023

MultiSOM: Multi-layer Self Organizing Maps for local structure identification in crystalline structures

DOI: 10.1016/j.commatsci.2023.112263

11 mayo 2023

Plastic behavior of a nanoporous high-entropy alloy under compression

Rafael González

DOI: 10.1016/j.commatsci.2023.112241

30 abril 2023

Silver nanoparticle’s size and morphology relationship with their electrocatalysis and detection properties

Fabián Ávila , Manuel Ahumada

DOI: 10.1016/j.apsusc.2023.156584

28 abril 2023

Application of CdTe quantum dots sensitized titanate nanotubes in photocatalytic degradation of organic pollutants under visible light irradiation

Diego Guzmán

DOI: 10.1016/j.jece.2023.110025

21 abril 2023

Nanoporous Amorphous Carbon with Exceptional Ultra-High Strength

Rafael González

DOI: 10.3390/nano13081429

13 abril 2023

Stability of ACE2 Peptide Mimetics and Their Implications on the Application for SARS-CoV2 Detection

Manuel Ahumada

DOI: 10.3390/bios13040473

20 febrero 2023

Rhenium-Based Electrocatalysts for Water Splitting

DOI: 10.1021/acsmaterialsau.2c00077

19 febrero 2023

Influence of grain size on mechanical properties of a refractory high entropy alloy under uniaxial tension

DOI: 10.3390/cryst13020357

11 febrero 2023

A Monte Carlo code for the collisional evolution of porous aggregates (CPA)

DOI: 10.1051/0004-6361/202243069

14 diciembre 2022

Capacitors Based on Polypyrrole Nanowire Electrodeposits

DOI: 10.3390/polym14245476

06 noviembre 2022

Atomistic simulations of tensile deformation of a nanoporous high-entropy alloy

Rafael González

DOI: 10.1007/s10853-022-07862-w

01 noviembre 2022

Electrosynthesis of polyindole-carboxylic acids on stainless steel and their corrosion protection at different temperatures in acidic solution

Fabiola Pineda

DOI: 10.1016/j.porgcoat.2022.107075

28 septiembre 2022

Ag@Au bimetallic nanoparticles: an easy and highly reproducible synthetic approach for photocatalysis

Manuel Ahumada

DOI: 10.1039/D2NA00539E

24 agosto 2022

Atomistic simulations of ductile failure in a BCC high-entropy alloy

DOI: 10.1007/s44210-022-00004-6

20 agosto 2022

New polyimides containing methyl benzamidobenzoate or dimethyl benzamidoisophthalate as bulky pendant groups. Effects on solubility, thermal and gas transport properties

Pablo Ortiz

DOI: 10.1002/app.53036

18 agosto 2022

Enhancing the Thermal Conductivity of Amorphous Carbon with Nanowires and Nanotubes

Rafael González

DOI: 10.3390/nano12162835

16 agosto 2022

Collisions between CO, CO2, H2O and Ar ice nanoparticles compared by molecular dynamics simulation

DOI: 10.1038/s41598-022-18039-5

28 julio 2022

Synthesis of dimethyl- and diphenylsilane-based oligo(azine)s: Thermal, optical, electronic, and morphological properties

Pablo Ortiz

DOI: 10.1002/app.52911

15 junio 2022

Nanoindentation of nanoporous tungsten: A molecular dynamics approach

Rafael González

DOI: 10.1016/j.commatsci.2022.111336

10 junio 2022

On the mechanical response in nanoalloys: the case of NiCo

DOI: 10.1039/D2FD00111J

09 junio 2022

Serological study of CoronaVac vaccine and booster doses in Chile: immunogenicity and persistence of anti-SARS-CoV-2 spike antibodies

Rafael González

DOI: 10.1186/s12916-022-02406-0

24 mayo 2022

Temperature-dependent magnetism in Fe foams via spin-lattice dynamics

DOI: 10.1016/j.commatsci.2022.111483

24 mayo 2022

Interactions of Gas Particles with Graphene during High-Throughput Compressible Flow Exfoliation: A Molecular Dynamics Simulations Study

Rafael González

DOI: 10.1021/acs.jpcc.2c00425

23 mayo 2022

Simulations of plasticity in diamond nanoparticles showing ultrahigh strength

Rafael González

DOI: 10.1016/j.diamond.2022.109109

10 mayo 2022

Mechanism of voltage sensing in Ca2+ -and voltage-activated K+ (BK) channels

DOI: 10.1073/pnas.2204620119

04 mayo 2022

Surface enhanced fluorescence effect improves the in vivo detection of amyloid aggregates

DOI: 10.1016/j.nano.2022.102569

02 mayo 2022

Evaluation of flow accelerated corrosion and mechanical performance of martensitic steel T91 for a ternary mixture of molten salts for CSP plants

Fabiola Pineda

DOI: 10.1016/j.solmat.2022.111623

28 abril 2022

Peptide Targeted Gold Nanoplatform Carrying miR-145 Induces Antitumoral Effects in Ovarian Cancer Cells

DOI: 10.3390/pharmaceutics14050958

08 abril 2022

Enhancing the magnetic response on polycrystalline nanoframes through mechanical deformation

DOI: 10.1038/s41598-022-09647-2

01 abril 2022

Compatibility of alumina forming alloys with LiNO3-containing molten salts for solar thermal plants

Fabiola Pineda

DOI: 10.1016/j.est.2022.103988

24 marzo 2022

Endogenous pannexin1 channels form functional intercellular cell–cell channels with characteristic voltage-dependent properties

DOI: 10.1073/pnas.2202104119

10 marzo 2022

Biodegradable gelatin-based films with nisin and EDTA that inhibit Escherichia coli

Pablo Ortiz

DOI: 10.1371/journal.pone.0264851

01 marzo 2022

Evolution of corrosion products on ASTM A36 and AISI 304L steels formed in exposure to molten NaNO3–KNO3 eutectic salt: Electrochemical study

Fabiola Pineda

DOI: 10.1016/j.corsci.2021.110047

28 febrero 2022

Cytocompatible drug delivery hydrogels based on carboxymethylagarose/chitosan pH-responsive polyelectrolyte complexes

Manuel Ahumada

DOI: 10.1016/j.ijbiomac.2021.12.093

24 febrero 2022

Influence of vacancies on the temperature-dependent magnetism of bulk Fe: A spin-lattice dynamics approach

DOI: 10.1016/j.cocom.2022.e00662

23 febrero 2022

Inducing a topological transition in graphene nanoribbon superlattices by external strain

Rafael González

DOI: 10.1039/D2CP00038E

03 febrero 2022

Peripheral Collisions of Ice-covered Silica Dust Grains

DOI: 10.3847/1538-4357/ac403d

01 febrero 2022

Influence of Bacillus safensis and Bacillus pumilus on the electrochemical behavior of 2024-T3 aluminum alloy

Fabiola Pineda

DOI: 10.1016/j.bioelechem.2021.107950

12 enero 2022

Nanoparticle Shape Influence over Poly(lactic acid) Barrier Properties by Molecular Dynamics Simulations

Rafael González

DOI: 10.1021/acsomega.1c04589

14 diciembre 2021

Charge Storage and Solar Rechargeable Battery Devices Based on Electrodes Electrochemically Modified with Conducting Polymer Nanowires

DOI: 10.3390/polym13244375

25 noviembre 2021

Hydrogen Productivity Analysis Using Low Concentration of TiO2–Au Nanoparticles on a Ultraviolet-LED-Based Photocatalytic Reactors

Diego Guzmán

DOI: 10.1002/ente.202100469

18 noviembre 2021

Ferrocene-modified dendrimers as support of copper nanoparticles: evaluation of the catalytic activity for the decomposition of ammonium perchlorate

Paulina Ríos

DOI: 10.1016/j.mtchem.2021.100631

04 noviembre 2021

Soft or Hard? investigating the deformation mechanisms of au–pd and Pd nanocubes under compression: an experimental and molecular dynamics study

DOI: 10.1021/acs.jpcc.1c07685

02 noviembre 2021

Exceptionally high spallation strength for a high-entropy alloy demonstrated by experiments and simulations

DOI: 10.1016/j.jallcom.2021.162567

01 noviembre 2021

Building new cardiac vasculature and myocardium: where are we at?

Manuel Ahumada

DOI: 10.1097/HCO.0000000000000905

26 octubre 2021

Unnexins: Homologs of innexin proteins in Trypanosomatidae parasites

DOI: 10.1002/jcp.30626

08 octubre 2021

Development of “on-demand” thermo-responsive hydrogels for anti-cancer drugs sustained release: Rational design, in silico prediction and in vitro validation in colon cancer models

Fabián Ávila

DOI: 10.1016/j.msec.2021.112483

07 octubre 2021

Physicochemical and computational analysis of the melamine resin derivative for the glyphosate absorption from water using Langmuir-type model

Fabián Ávila

DOI: 10.1007/s13762-021-03685-5

01 octubre 2021

A new porous organic polymer containing Tröger's base units: Evaluation of the catalytic activity in Knoevenagel condensation reaction

Pablo Ortiz

DOI: 10.1016/j.reactfunctpolym.2021.104998

01 octubre 2021

Corrosion evaluation by electrochemical real-time tracking of VM12 martensitic steel in a ternary molten salt mixture with lithium nitrates for CSP plants

Fabiola Pineda

DOI: 10.1016/j.solmat.2021.111302

25 agosto 2021

Construction of 0D/2D composites heterostructured of CdTe QDs/ZnO hybrid layers to improve environmental remediation by a direct Z-scheme

Diego Guzmán

DOI: 10.1016/j.catcom.2021.106352

23 julio 2021

A physiologic rise in cytoplasmic calcium ion signal increases pannexin1 channel activity via a C-terminus phosphorylation by CaMKII

DOI: 10.1073/pnas.2108967118

08 julio 2021

Spin-lattice dynamics of surface vs core magnetization in Fe nanoparticles

DOI: 10.1063/5.0055606

08 junio 2021

Novel Polyelectrolytes Obtained by Direct Alkylation and Ion Replacement of a New Aromatic Polyamide Copolymer Bearing Pyridinyl Pendant Groups

Pablo Ortiz

DOI: 10.3390/polym13121993

01 junio 2021

Development of a PHBV nanoparticle as a peptide vehicle for NOD1 activation

DOI: 10.1080/10717544.2021.1923862

10 mayo 2021

Testing the Test: A Comparative Study of Marine Microbial Corrosion under Laboratory and Field Conditions

Fabiola Pineda

DOI: 10.1021/acsomega.1c01762

06 mayo 2021

Simulations of primary damage in a High Entropy Alloy: Probing enhanced radiation resistance

DOI: 10.1016/j.actamat.2021.116951

11 abril 2021

In vivo micro computed tomography detection and decrease in amyloid load by using multifunctionalized gold nanorods: a neurotheranostic platform for Alzheimer's disease

DOI: 10.1039/D0BM01825B

09 abril 2021

Indentation and scratching of iron by a rotating tool–a molecular dynamics study

DOI: 10.1016/j.commatsci.2021.110445

05 marzo 2021

Collisions between micro-sized aggregates: role of porosity, mass ratio, and impact velocity

DOI: 10.1093/mnras/stab610

27 enero 2021

New hybrid copper nanoparticles/conjugated polyelectrolyte composite with antibacterial activity

DOI: 10.3390/polym13030401

20 enero 2021

Molecular weight enables fine-tuning the thermal and dielectric properties of polymethacrylates bearing sulfonyl and nitrile groups as dipolar entities

DOI: 10.3390/polym13030317

15 enero 2021

Tension–compression behavior in gold nanoparticle arrays: A molecular dynamics study

DOI: 10.1088/1361-6528/abd5e8

15 enero 2021

Nanoindentation of Amorphous Carbon: a combined experimental and simulation approach

Rafael González

DOI: 10.1016/j.actamat.2020.116485

03 diciembre 2020

Polycrystalline Ni nanotubes under compression: a molecular dynamics study

Rafael González

DOI: 10.1038/s41598-020-76276-y

01 diciembre 2020

Effect of the monomers ratio in the electrosynthesis of poly (aniline-co-o-methoxyaniline) on steel corrosion protection

DOI: 10.4067/S071-97072020000404998

20 noviembre 2020

Size-and temperature-dependent magnetization of iron nanoclusters

DOI: 10.1103/PhysRevB.102.184426

02 noviembre 2020

Simulated mechanical properties of finite-size graphene nanoribbons

Rafael González

DOI: 10.1088/1361-6528/abc036

24 septiembre 2020

Collisions between amorphous carbon nanoparticles: phase transformations

Rafael González

DOI: 10.1051/0004-6361/202038183

18 septiembre 2020

Modeling habitat suitability and spread dynamics of two invasive rose species in protected areas of Mendoza, Argentina

DOI: 10.1016/j.ecocom.2020.100868

20 agosto 2020

Utilization of industrial by-product fungal biomass from Aspergillus niger and Fusarium culmorum to obtain biosorbents for removal of pesticide and metal ions from aqueous solutions

Fabián Ávila

DOI: 10.1016/j.jece.2020.104355

31 julio 2020

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

Pablo Ortiz

DOI: 10.1007/s00289-020-03321-1

30 julio 2020

FoamExplorer: Automated measurement of ligaments and voids for atomistic systems

DOI: 10.1016/j.commatsci.2020.109942

29 julio 2020

Optical, morphological and photocatalytic properties of biobased tractable films of chitosan/donor-acceptor polymer blends

DOI: 10.1016/j.carbpol.2020.116822

22 julio 2020

Effect on the Optical Efficiency and Photostability of Luminescent Solar Concentrator Based on the Deposition of AgSiO2@ NPs

DOI: 10.1021/acsaem.0c01094

21 julio 2020

Increasing the temperature range of dipolar glass polymers through copolymerization: A first approach to dipolar glass copolymers

DOI: 10.1016/j.polymer.2020.122765