Lista de obras - Joaquin Ortega-Castro - Dominio Público Uruguay

A Cd(ii)-based MOF as a photosensitive Schottky diode: experimental and theoretical studies

artículo científico publicado en 2017

A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-Synuclein

artículo científico publicado en 2019

A DFT study of the carboxymethyl-phosphatidylethanolamine formation from glyoxal and phosphatidylethanolamine surface. Comparison with the formation of N(ε)-(carboxymethyl)lysine from glyoxal and L-lysine

artículo científico publicado en 2015

A Ni-based MOF for selective detection and removal of Hg2+ in aqueous medium: a facile strategy

artículo científico publicado en 2017

A Systematic DFT Study of Some Plausible Zn(II) and Al(III) Interaction Sites in N-Terminally Acetylated α-Synuclein.

artículo científico publicado en 2017

Application of a novel 2D cadmium(II)-MOF in the formation of a photo-switch with a substantial on-off ratio.

artículo científico publicado en 2015

C-H activation in pyridoxal-5'-phosphate Schiff bases: the role of the imine nitrogen. A combined experimental and computational study

artículo científico publicado en 2012

Compressibility of 2M1 muscovite-phlogopite series minerals

scientific article published on 12 November 2019

Compressibility of 2M1muscovite-paragonite series minerals: A computational study to 6 GPa

scholarly article in American Mineralogist, vol. 101 no. 5, May 2016

Copper(II) Binding Sites in N-Terminally Acetylated α-Synuclein: A Theoretical Rationalization

artículo científico publicado en 2017

DFT study of the mechanism of the reaction of aminoguanidine with methylglyoxal

artículo científico publicado en 2014

Does glycation really distort the peptide α-helicity?

scientific article published on 07 February 2019

Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization

artículo científico publicado en 2018

Formation mechanism of glyoxal-DNA adduct, a DNA cross-link precursor.

artículo científico publicado en 2017

Formation of Schiff bases of O-phosphorylethanolamine and O-phospho-D,L-serine with pyridoxal 5'-phosphate. experimental and theoretical studies

artículo científico publicado en 2012

Glycation of Lysozyme by Glycolaldehyde Provides New Mechanistic Insights in Diabetes-Related Protein Aggregation.

artículo científico publicado en 2017

High- and low-spin Fe(III) complexes of various AGE inhibitors

artículo científico publicado en 2012

How Does Pyridoxamine Inhibit the Formation of Advanced Glycation End Products? The Role of Its Primary Antioxidant Activity

artículo científico publicado en 2019

Human farnesyl pyrophosphate synthase inhibition by nitrogen bisphosphonates: a 3D-QSAR study

artículo científico publicado en 2013

Hydrolysis of a chlorambucil analogue. A DFT study

artículo científico publicado en 2011

Influence of the exchangeable cation on the adsorption of 2-nitro-1-propanol on smectite surface models

Mechanistic insights into protonation state as a critical factor in hFPPS enzyme inhibition

scientific article published on 17 June 2015

New insights into human farnesyl pyrophosphate synthase inhibition by second-generation bisphosphonate drugs

artículo científico publicado en 2017

Nitration and Glycation Diminish the α-Synuclein Role in the Formation and Scavenging of Cu2+-Catalyzed Reactive Oxygen Species

scientific article published on 22 April 2019

Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3<i>H</i>)-Quinazolinone-Derived Schiff Base

artículo científico publicado en 2020

Reactivity of a phospholipid monolayer model under periodic boundary conditions: a density functional theory study of the Schiff base formation between phosphatidylethanolamine and acetaldehyde.

artículo científico publicado en 2010

Semiconducting properties of pyridyl appended linear dicarboxylate based coordination polymers: theoretical prediction <i>via</i> DFT study

scientific article published on 10 December 2020

Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives

artículo científico publicado en 2019

Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-p-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds

scientific article published on 10 January 2020

Synthesis, reactivity, X-ray characterization and docking studies of N7/N9-(2-pyrimidyl)-adenine derivatives

scientific article published on 22 October 2019

The development of a promising photosensitive Schottky barrier diode using a novel Cd(ii) based coordination polymer

artículo científico publicado en 2017

Theoretical calculations of stability constants and pKa values of metal complexes in solution: application to pyridoxamine-copper(II) complexes and their biological implications in AGE inhibition

artículo científico publicado en 2013

Theoretical study of the adsorption of 2-nitro-1-propanol on smectite surface models

Theoretical study on the influence of the Mg2+ and Al3+ octahedral cations on the vibrational spectra of the hydroxy groups of dioctahedral 2:1 phyllosilicate models

artículo científico publicado en 2014

Two Zinc(II)-Based Metal Complexes of New Pyrimidine Derived Ligand: Anion-Dependent Structural Variations and Charge Transport Property Analysis

Unraveling the NaCl Concentration Effect on the First Stages of α-Synuclein Aggregation

artículo científico publicado en 2020

Lista de obras de Joaquin Ortega-Castro

A Cd(ii)-based MOF as a photosensitive Schottky diode: experimental and theoretical studies

A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-Synuclein

A DFT study of the carboxymethyl-phosphatidylethanolamine formation from glyoxal and phosphatidylethanolamine surface. Comparison with the formation of N(ε)-(carboxymethyl)lysine from glyoxal and L-lysine

A Ni-based MOF for selective detection and removal of Hg2+ in aqueous medium: a facile strategy

A Systematic DFT Study of Some Plausible Zn(II) and Al(III) Interaction Sites in N-Terminally Acetylated α-Synuclein.

Application of a novel 2D cadmium(II)-MOF in the formation of a photo-switch with a substantial on-off ratio.

C-H activation in pyridoxal-5'-phosphate Schiff bases: the role of the imine nitrogen. A combined experimental and computational study

Compressibility of 2M1 muscovite-phlogopite series minerals

Compressibility of 2M1muscovite-paragonite series minerals: A computational study to 6 GPa

Copper(II) Binding Sites in N-Terminally Acetylated α-Synuclein: A Theoretical Rationalization

DFT study of the mechanism of the reaction of aminoguanidine with methylglyoxal

Does glycation really distort the peptide α-helicity?

Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization

Formation mechanism of glyoxal-DNA adduct, a DNA cross-link precursor.

Formation of Schiff bases of O-phosphorylethanolamine and O-phospho-D,L-serine with pyridoxal 5'-phosphate. experimental and theoretical studies

Glycation of Lysozyme by Glycolaldehyde Provides New Mechanistic Insights in Diabetes-Related Protein Aggregation.

High- and low-spin Fe(III) complexes of various AGE inhibitors

How Does Pyridoxamine Inhibit the Formation of Advanced Glycation End Products? The Role of Its Primary Antioxidant Activity

Human farnesyl pyrophosphate synthase inhibition by nitrogen bisphosphonates: a 3D-QSAR study

Hydrolysis of a chlorambucil analogue. A DFT study

Influence of the exchangeable cation on the adsorption of 2-nitro-1-propanol on smectite surface models

Mechanistic insights into protonation state as a critical factor in hFPPS enzyme inhibition

New insights into human farnesyl pyrophosphate synthase inhibition by second-generation bisphosphonate drugs

Nitration and Glycation Diminish the α-Synuclein Role in the Formation and Scavenging of Cu2+-Catalyzed Reactive Oxygen Species

Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3<i>H</i>)-Quinazolinone-Derived Schiff Base

Reactivity of a phospholipid monolayer model under periodic boundary conditions: a density functional theory study of the Schiff base formation between phosphatidylethanolamine and acetaldehyde.

Semiconducting properties of pyridyl appended linear dicarboxylate based coordination polymers: theoretical prediction <i>via</i> DFT study

Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives

Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-p-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds

Synthesis, reactivity, X-ray characterization and docking studies of N7/N9-(2-pyrimidyl)-adenine derivatives

The development of a promising photosensitive Schottky barrier diode using a novel Cd(ii) based coordination polymer

Theoretical calculations of stability constants and pKa values of metal complexes in solution: application to pyridoxamine-copper(II) complexes and their biological implications in AGE inhibition

Theoretical study of the adsorption of 2-nitro-1-propanol on smectite surface models

Theoretical study on the influence of the Mg2+ and Al3+ octahedral cations on the vibrational spectra of the hydroxy groups of dioctahedral 2:1 phyllosilicate models

Two Zinc(II)-Based Metal Complexes of New Pyrimidine Derived Ligand: Anion-Dependent Structural Variations and Charge Transport Property Analysis

Unraveling the NaCl Concentration Effect on the First Stages of α-Synuclein Aggregation