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Sebastián Esteban Miranda Rojas

Profesor Asistente

UNIVERSIDAD NACIONAL ANDRES BELLO

Santiago, Chile

Biofísica; Fisicoquímica Molecular; Catálisis; Quimica Teórica y Computacional; Mecanismos de Reacción

PhD in Chemistry, UNIVERSIDAD DE CHILE. Chile, 2012
Pharmaceutical Chemist, UNIVERSIDAD DE CHILE. Chile, 2009

Profesor Asistente Full Time

UNIVERSIDAD ANDRES BELLO

Ciencias Exactas

Santiago, Chile

2014 - At present

PROFESOR ASISTENTE Full Time

UNIVERSIDAD ANDRES BELLO

SANTIAGO, Chile

2014 - At present

Dirección tesis de pregrado (en desarrollo) titulada:
"Cálculos híbridos MC/MM del mecanismo de regulación de la actividad de la enzima MLL3"

No existen actividades a la fecha.

Sebastin Esteban Miranda Rojas

FONDECYT

Chile, 2007

Beca CONICYT de Apoyo para la Realización de Tesis Doctoral


Improving Lurasidone Hydrochloride's Solubility and Stability by Higher-Order Complex Formation with Hydroxypropyl-beta-cyclodextrin Gamboa-Arancibia, Maria Elena; Caro, Nelson; Gamboa, Alexander; Morales, Javier Octavio; Casanova, Jorge Enrique Gonzalez; Gomez, Diana Marcela Rojas; Miranda-Rojas, Sebastian Article ISI PHARMACEUTICS (2023)
Is there a Covalent Au(I)-Au(I) Bond in the trans-(AuX)<sub>2</sub> (X = F, Cl, Br, I) Structure? A Post-Hartree-Fock and Density Functional Theory Study Lara, Dina; Santibanez, Daniel; Miranda-Rojas, Sebastiaan; Mera-Adasme, Raul Article ISI SCOPUS INORGANIC CHEMISTRY (2023)
Mechanistic insights into the adsorption of endocrine disruptors onto polystyrene microplastics in water Cortes-Arriagada, Diego; Ortega, Daniela E.; Miranda-Rojas, Sebastian Article ISI ENVIRONMENTAL POLLUTION (2023)
The interaction mechanism of polystyrene microplastics with pharmaceuticals and personal care products Cortes-Arriagada, Diego; Miranda-Rojas, Sebastian; Camarada, Maria Belen; Ortega, Daniela E.; Alarcon-Palacio, Victoria B. Article ISI SCIENCE OF THE TOTAL ENVIRONMENT (2023)
Unveiling the tartrazine binding mode with ds-DNA by UV-visible spectroscopy, electrochemical, and QM/MM methods Arsenault-Escobar, S.; Fuentes-Galvez, J. F.; Orellana, C.; Bollo, S.; Sierra-Rosales, P.; Miranda-Rojas, S. Article ISI SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2023)
Biochemical characterization of Peumus boldus fruits: Insights of its antioxidant properties through a theoretical approach Otero, Carolina; Miranda-Rojas, Sebastian; Llancalahuen, Felipe M.; Fuentes, Juan A.; Atala, Cristian; Gonzalez-Silva, Gloria; Verdugo, Diego; Sierra-Rosales, Paulina; Moreno, Adrian; Gordillo-Fuenzalida, Felipe Article ISI FOOD CHEMISTRY (2022)
Closed-shell d<SUP>10</SUP>-d<SUP>10</SUP> in [AuCl(CNR)]<sub><i>n</i></sub> and [AuCl(CO)]<sub><i>n</i></sub> (<i>n</i>=1, 2; R = -H, -CH<sub>3</sub>, -Cy) complexes: quantum chemistry study of their electronic and optical properties Mendizabal, Fernando; Miranda-Rojas, Sebastian Article ISI RSC ADVANCES (2022)
Time-dependent density functional theory studies of the optical and electronic properties of the [M<sub>25</sub>(MPA)<sub>18</sub>]<SUP>-</SUP> (M = Au, Ag, MPA = SCH<sub>2</sub>CH<sub>2</sub>COOH) clusters Orellana, Carlos; Miranda-Rojas, Sebastian; Sundholm, Dage; Mendizabal, Fernando Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation Multiplicity Blanco-Esperguez, Kevin; Tunon, Inaki; Kästner, Johannes; Mera-Adasme, Raul; Miranda-Rojas, Sebastian Article ISI SCOPUS INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2022)
Exploration of the Activation Mechanism of the Epigenetic Regulator MLL3: A QM/MM Study Miranda-Rojas, Sebastian; Blanco-Esperguez, Kevin; Tunon, Inaki; Kästner, Johannes; Mera-Adasme, Raul Article ISI SCOPUS BIOMOLECULES (2021)
First-principles study of hybrid nanostructures formed by deposited phthalocyanine/porphyrin metal complexes on phosphorene Cortes-Arriagada, Diego; Miranda-Rojas, Sebastian; Cid-Mora, Francisca; Toro-Labbe, Alejandro Article ISI JOURNAL OF MOLECULAR LIQUIDS (2021)
Electronic and optical properties of [Au(CH<sub>3</sub>CSS)]<sub>4</sub>cluster. A quantum chemistry study Mendizabal, Fernando; Miranda-Rojas, Sebastian Article ISI RSC ADVANCES (2020)
Exploration of the Interaction Strength at the Interface of Anionic Chalcogen Anchors and Gold (111)-Based Nanomaterials Rojas, Susana; Miranda-Rojas, Sebastian; Mera-Adasme, Raul Article ISI SCOPUS NANOMATERIALS (2020)
Quantum chemistry simulation of the electronic properties in [Au(NH3)(2)]NO3 and [Au(NCH)(2)][AuCl4] extended unsupported complexes Mendizabal F.; Miranda-Rojas S.; Castro-Latorre P. Article ISI SCOPUS MOLECULAR SIMULATION (2020)
Theoretical exploration of the forces governing the interaction between gold-phthalocyanine and gold surface clusters Castro-Latorre P.; Miranda-Rojas S.; Mendizabal F. Article ISI SCOPUS RSC ADVANCES (2020)
Catalytic activity of iron phthalocyanine for the oxidation of thiocyanate and L-cysteine anchored on Au(111) clusters Castro-Latorre, Pablo; Miranda-Rojas, Sebastian; Barrientos, Lorena; Mendizabal, Fernando Article ISI SCOPUS MOLECULAR SIMULATION (2019)
Experimental and theoretical insights into the electrooxidation pathway of azo-colorants on glassy carbon electrode Sierra-Rosales, P; Berrios, C; Miranda-Rojas, S; Squella, JA Article ISI SCOPUS ELECTROCHIMICA ACTA (2018)
Unraveling the Nature of the Catalytic Power of Fluoroacetate Dehalogenase Miranda-Rojas, S; Fernandez I.; Kastner, J; Toro-Labbe, A.; Mendizabal, F Article ISI SCOPUS CHEMCATCHEM (2018)
Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations Cortés-Arriagada, Diego; Villegas-Escobar, Nery; Miranda-Rojas, Sebastián; Toro-Labbé, Alejandro Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Oxidized and Si-doped graphene: emerging adsorbents for removal of dioxane Cortés-Arriagada, Diego; Miranda-Rojas, Sebastián; Ortega, Daniela E.; Toro-Labbé, Alejandro Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Palmitic acid and hexadecylamine molecules assdsorbed on titania surface in hybrid composites. Effect of surfactants using density functional theory Orellana, Carlos; Mendiz?bal, Fernando; Gonz?lez, Guillermo; Miranda-Rojas, Sebasti?n; Barrientos, Lorena Article ISI SCOPUS Computational and Theoretical Chemistry (2017)
The Influence of the Metal Cations and Microhydration on the Reaction Trajectory of the N3 <-> O2 Thymine Proton Transfer: Quantum Mechanical Study Šebesta F.; Brela M.Z.; Diaz S.; Miranda S.; Murray J.S.; Gutiérrez-Oliva S.; Toro-Labbé A.; Michalak A.; Burda J.V. Article ISI SCOPUS JOURNAL OF COMPUTATIONAL CHEMISTRY (2017)
Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role Miranda-Rojas, S; Sierra-Rosales, P; Munoz-Castro, A; Arratia-Perez, R; Zagal, JH; Mendizabal, F Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Surface on Surface. Survey of the Monolayer Gold-Graphene Interaction from Au-12 and PAH via Relativistic DFT Calculations Muñoz-Castro, A; Gomez, T; Carey D.M.; Miranda-Rojas, S; Mendizabal, F; Zagal, J.H.; Arratia-Perez, R Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials Miranda-Rojas, S; Salazar-Molina, R; Kastner, J; Arratia-Perez, R; Mendizabal, F Article ISI SCOPUS RSC ADVANCES (2016)
A comparative study between post-Hartree-Fock methods and density functional theory in closed-shell aurophilic attraction Mendizabal, F; Miranda-Rojas, S; Barrientos-Poblete L. Article ISI SCOPUS Computational and Theoretical Chemistry (2015)
Mechanistic insights into the dehalogenation reaction of fluoroacetate/fluoroacetic acid Miranda-Rojas, S; Toro-Labbe, A Article ISI SCOPUS Journal of Chemical Physics (2015)
Theoretical study on interactions of fluorinated organomercurials with arene and gold fragments Mendizabal, F; Miranda-Rojas, S; Barrientos, L Article ISI SCOPUS Physical Chemistry Chemical Physics (2015)
Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111) Miranda-Rojas, S; Munoz-Castro, A; Arratia-Perez, R; Mendizabal, F Article ISI SCOPUS Physical Chemistry Chemical Physics (2013)
Computational Studies of the Metal-Binding Site of the Wild-Type and the H46R Mutant of the Copper, Zinc Superoxide Dismutase Mera-Adasme, R; Mendizabal, F; Gonzalez, M.; Miranda-Rojas, S; Olea Azar C.; Sundholm, D Article ISI SCOPUS Inorganic Chemistry (2012)
Enhancement of the Catalytic Activity of Fe Phthalocyanine for the Reduction of O-2 Anchored to Au(111) via Conjugated Self-Assembled Mono layers of Aromatic Thiols As Compared to Cu Phthalocyanine Ponce I.; Silva J.F.; Onate, R; Rezende M.C.; Páez M.A.; Zagal, J.H.; Pavez, J; Mendizabal, F; Miranda-Rojas, S; Munoz-Castro, A; Arratia-Perez, R Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Influence of Protonation on Substrate and Inhibitor Interactions at the Active Site of Human Monoamine Oxidase-A Zapata-Torres, G; Fierro, A.; Miranda-Rojas, S; Guajardo, C.; Saez-Briones, P; Salgado, J. C.; Celis-Barros, C Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
A Computationally Efficient and Reliable Bond Order Measure Mera-Adasme, R; Mendizabal, F; Olea Azar C.; Miranda-Rojas, S; Fuentealba P. Article ISI SCOPUS Journal of Physical Chemistry A (2011)
Theoretical and Experimental Study of Bonding and Optical Properties of Self-Assembly Metallophthalocyanines Complexes on a Gold Surface. A Survey of the Substrate-Surface Interaction Ponce I.; Silva, JF; Onate, R; Miranda-Rojas, S; Munoz-Castro, A; Arratia-Perez, R; Mendizabal, F; ZAGAL, JH Article ISI SCOPUS Journal of Physical Chemistry C (2011)
Spectroscopic characterization of the inclusion complexes of luteolin with native and derivatized beta-cyclodextrin Jullian C.; Cifuentes, C; Alfaro, M; Miranda, S.; Barriga, G; Olea Azar C. Article ISI SCOPUS Bioorganic and Medicinal Chemistry (2010)
Studies of inclusion complexes of natural and modified cyclodextrin with (+)catechin by NMR and molecular modeling Jullian C.; Miranda, S.; Zapata-Torres, G; Mendizabal, F; Olea Azar C. Article ISI SCOPUS BIOORGANIC & MEDICINAL CHEMISTRY (2007)
Theoretical study of the interaction d(10)-d(8) between Pt(0) and M(I) on the [Pt(PH3)-MPH3](+) complexes (M = Cu, Ag, Au) Mendizabal, F; Olea Azar C.; Miranda, S. Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)


Theoretical aspects of the reactivity of MN4 macrocyclics in electrochemical reactions Miranda-Rojas S.; Muñoz-Castro A.; Arratia-Pérez R.; Mendizábal F. BookWhole SCOPUS Electrochemistry of N4 Macrocyclic Metal Complexes: Volume 1: Energy, Second Edition (2016)


Quantum Chemical Exploration of the Mechanisms for the Writing and Erasing of Epigenetic Marks that lead to Cancer FONDECYT (1181082) Proyecto 2018-2022 Inv. Responsable
A computational approach to reveal the physicochemical forces that govern dual gold catalysis reaction mechanism Universidad Andres Bello (DI-1323-16/R) Proyecto 2016-2017 Inv. Responsable
Chemical Processes and catalysis Toro-Labbe, Alejandro; Miranda-Rojas, Sebastián E Proyecto Young researcher (2015)
Nucleo Milenio=> Procesos químicos y catálisis Ministerio de Economía, Fomento y Turismo (120082) Proyecto 2014-2016 Investigador(a)
Supramolecular Chemistry at interfaces: Light- Absorption process in energy conversion and electrocatalysis on gold electrode. A computational chemistry study Mendizabal, Fernando; Miranda-Rojas, Sebastián E Proyecto Co-researcher (2014)
Supramolecular Chemistry at interfaces=> Light-Absorption process in energy conversion and electrocatalysis on gold electrode. A computational chemistry study FONDECYT (1140503) Proyecto 2014-2017 Coinvestigador(a)
CEDENNA: Centro para el desarrollo de la nanociencia y la nanotecnología Dora Altbir; Miranda-Rojas, Sebastián E Proyecto Postdoctoral Grant (2012)
CEDENNA=> Centro para el desarrollo de la nanociencia y la nanotecnología PIA (FB0807) Proyecto 2012-2014 Postdoctorado
Nucleo Milenio=> Molecular engineering and supramolecular chemistry for catalysis, remediation and energy conversion Ministerio de Economía, Fomento y Turismo (P07-006-P) Proyecto 2012-2012 Postdoctorado
THEORETICAL INSIGHTS INTO THE ENZYMATIC REACTION MECHANISMS OF DEHYDRATASES AND DEHALOGENASES Miranda-Rojas, Sebastian E; Toro-Labbe, Alejandro M. Proyecto Postdoctoral Grant (2012)
THEORETICAL INSIGHTS INTO THE ENZYMATIC REACTION MECHANISMS OF DEHYDRATASES AND DEHALOGENASES FONDECYT (3130383) Proyecto 2012-2015 Inv. Responsable
Nucleo Milenio=> Molecular engineering and supramolecular chemistry for catalysis, remediation and energy conversion Ministerio de Economía, Fomento y Turismo (P07-006-P) Proyecto 2010-2011 Personal técnico y/o de apoyo
Molecular modelling studies on the effects of ligand-binding site conformations on functional selectivity in MAO-A and 5-HT2 receptors FONDECYT (1090215) Proyecto 2009-2012 Personal técnico y/o de apoyo
Electronic and Optical Properties in Inorganic Supramolecular Chemistry of Complex Systems Based in Heavy Metals. Quantum Chemistry Study Mendizabal, Fernando; Miranda-Rojas, Sebastián E Proyecto Co-researcher (0)
Quantum Chemical Exploration of the Mechanisms for the Writing and Erasing of Epigenetic Marks that lead to Cancer Miranda-Rojas, Sebastian E Proyecto (0)


Noncovalent interactions in inorganic supramolecular chemistry based in heavy metals. Quantum chemistry point of view Barrientos, L; Miranda-Rojas, S; Mendizabal, F Review ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2019)

Sebastián Miranda

Profesor Asistente

Departamento de Ciencias Químicas

UNIVERSIDAD NACIONAL ANDRES BELLO

Santiago, Chile

Fernando Mendizabal

Full Professor

Chemistry

UNIVERSIDAD DE CHILE - FACULTAD DE CIENCIAS

Santiago, Chile

Ramiro Arratia

DIRECTOR DOCTORADO

CIENCIAS QUIMICAS

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Diego Cortés

Académico No Regular

Programa Institucional de Fomento a la Investigación, Desarrollo e Innovación

Universidad Tecnológica Metropolitana

Santiago, Chile

claudio olea

Full Professor

Inorganica y Analitica

UNIVERSIDAD DE CHILE

Santiago, Chile

Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

Paulina Sierra

Profesora Asociada

Universidad Tecnológica Metropolitana

Santiago, Chile

Juan Silva

Academic

Química de los Materiales

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Alvaro Muñoz

Profesor Titular

Universidad San Sebastián

Santiago, Chile

Alvaro Muñoz

Full time professor

Dirección de Investigación y Postgrado

Universidad Autónoma de Chile

Santiago, Chile

Germán Barriga

Asociado

Quimica

Universidad Metropolitana de Ciencias de la Educación

Ñuñoa, Chile

José Zagal

Distinguished Professor

Chemistry of Materials

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Lorena Barrientos

Profesor Asistente

Pontificia Universidad Católica de Chile

Santiago, Chile

Daniela Ortega

Profesora Asistente

Ciencias Químicas y Bíologicas

Universidad Bernardo O'Higgins

Santiago, Chile

Raul Mera

Profesor Asistente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Ingrid Ponce

Assistant Professor

Departmento Ciencias del Ambiente

Univerisidad de Santiago de Chile

Santiago, Chile

MARITZA PAEZ

Full professor

Química de los Materiales

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Gerald Zapata

Profesor Asociado

Química Inorgánica y Analítica

Universidad de Chile

Santiago, Chile

CAROLINA JULLIAN

Profesor Asociado

Quimica Organica y Fisicoquimica

UNIVERSIDAD DE CHILE

SANTIAGO, Chile

Tatiana Gómez

Assistant Proffesor

Engineering

UNIVERSIDAD AUTÓNOMA DE CHILE

SANTIAGO, Chile

Juan Squella

Académico

Química Orgánica y Físico Química

UNIVERSIDAD DE CHILE, FACULTAD DE CIENCIAS QUÍMICAS Y FARMACÉUTICAS

Santiago, Chile

Cristhian Berríos

Académico

Ciencias del Ambiente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Nery Villegas

Profesor Asistente

Universidad de Concepción

Concepción, Chile

Desmond MacLeod-Carey

Associate Professor

Facultad de Ingeniería

Universidad Autónoma de Chile

Santiago, Chile

JORGE PAVEZ

Professor

Materials Chemistry

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Maria Otero

Profesor Asociado

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

CRISTIAN ATALA

Profesor adjunto

Instituto de Biología

Pontificia Universidad Católica de Valparaíso

Curauma, Chile

José Salgado

Associate Professor

Chemical Engineering, Biotechnology and Materials

UNIVERSIDAD DE CHILE

Santiago, Chile

Angelica Fierro

Associate

Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

Mauricio Gonzalez

Profesor Titular

INTA

UNIVERSIDAD DE CHILE - INSTITUTO DE NUTRICION Y TECNOLOGIA DE ALIMENTOS

Santiago, Chile

Adrian Moreno

Assistant Professor

Escuela de Biociencias

Universidad Andres Bello

Santiago, Chile

Javier Morales

Profesor Asociado

Departamento de Ciencias y Tecnología Farmacéuticas

Universidad de Chile

Santiago, Chile

patricio fuentealba

Profesor Titular

Física

U. DE CHILE, FAC. CIENCIAS, DPTO. FISICA

Santiago, Chile

Alexander Gamboa

Profesor Asistente

Ciencias del Ambiente

Universidad de Santiago de Chile

Santiago, Chile

SOLEDAD BOLLO

PROFESOR TITULAR

QUIMICA FARMACOLÓGICA Y TOXICOLÓGICA

UNIVERSIDAD DE CHILE

SANTIAGO, Chile

Diego Verdugo

Asistente de Investigación y Estudiante Doctorado en Biotecnología Traslacional

Ciencias Agrarias y Forestales

Universidad Católica del Maule

Talca, Chile

Sebastián Esteban Miranda Rojas

Líneas de Investigación

Educación

PhD in Chemistry, UNIVERSIDAD DE CHILE. Chile, 2012

Pharmaceutical Chemist, UNIVERSIDAD DE CHILE. Chile, 2009

Experiencia Académica

Profesor Asistente Full Time

Experiencia Profesional

PROFESOR ASISTENTE Full Time

Formación de Capital Humano

Difusión y Transferencia

Premios y Distinciones

Sebastin Esteban Miranda Rojas

Article (37)

BookWhole (1)

Proyecto (15)

Quantum Chemical Exploration of the Mechanisms for the Writing and Erasing of Epigenetic Marks that lead to Cancer

A computational approach to reveal the physicochemical forces that govern dual gold catalysis reaction mechanism

Nucleo Milenio=> Procesos químicos y catálisis

Supramolecular Chemistry at interfaces=> Light-Absorption process in energy conversion and electrocatalysis on gold electrode. A computational chemistry study

CEDENNA=> Centro para el desarrollo de la nanociencia y la nanotecnología

Nucleo Milenio=> Molecular engineering and supramolecular chemistry for catalysis, remediation and energy conversion

THEORETICAL INSIGHTS INTO THE ENZYMATIC REACTION MECHANISMS OF DEHYDRATASES AND DEHALOGENASES

Nucleo Milenio=> Molecular engineering and supramolecular chemistry for catalysis, remediation and energy conversion

Molecular modelling studies on the effects of ligand-binding site conformations on functional selectivity in MAO-A and 5-HT2 receptors

Review (1)