Man

Sebastián Esteban Miranda Rojas

Profesor Asistente

UNIVERSIDAD NACIONAL ANDRES BELLO

Santiago, Chile

Líneas de Investigación


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

Educación

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

Experiencia Académica

  •   Profesor Asistente Full Time

    UNIVERSIDAD ANDRES BELLO

    Ciencias Exactas

    Santiago, Chile

    2014 - At present

Experiencia Profesional

  •   PROFESOR ASISTENTE Full Time

    UNIVERSIDAD ANDRES BELLO

    SANTIAGO, Chile

    2014 - At present

Formación de Capital Humano


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


Difusión y Transferencia


No existen actividades a la fecha.


Premios y Distinciones

  •   Sebastin Esteban Miranda Rojas

    FONDECYT

    Chile, 2007

    Beca CONICYT de Apoyo para la Realización de Tesis Doctoral


 

Article (37)

Improving Lurasidone Hydrochloride's Solubility and Stability by Higher-Order Complex Formation with Hydroxypropyl-beta-cyclodextrin
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
Mechanistic insights into the adsorption of endocrine disruptors onto polystyrene microplastics in water
The interaction mechanism of polystyrene microplastics with pharmaceuticals and personal care products
Unveiling the tartrazine binding mode with ds-DNA by UV-visible spectroscopy, electrochemical, and QM/MM methods
Biochemical characterization of Peumus boldus fruits: Insights of its antioxidant properties through a theoretical approach
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
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
Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation Multiplicity
Exploration of the Activation Mechanism of the Epigenetic Regulator MLL3: A QM/MM Study
First-principles study of hybrid nanostructures formed by deposited phthalocyanine/porphyrin metal complexes on phosphorene
Electronic and optical properties of [Au(CH<sub>3</sub>CSS)]<sub>4</sub>cluster. A quantum chemistry study
Exploration of the Interaction Strength at the Interface of Anionic Chalcogen Anchors and Gold (111)-Based Nanomaterials
Quantum chemistry simulation of the electronic properties in [Au(NH3)(2)]NO3 and [Au(NCH)(2)][AuCl4] extended unsupported complexes
Theoretical exploration of the forces governing the interaction between gold-phthalocyanine and gold surface clusters
Catalytic activity of iron phthalocyanine for the oxidation of thiocyanate and L-cysteine anchored on Au(111) clusters
Experimental and theoretical insights into the electrooxidation pathway of azo-colorants on glassy carbon electrode
Unraveling the Nature of the Catalytic Power of Fluoroacetate Dehalogenase
Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations
Oxidized and Si-doped graphene: emerging adsorbents for removal of dioxane
Palmitic acid and hexadecylamine molecules assdsorbed on titania surface in hybrid composites. Effect of surfactants using density functional theory
The Influence of the Metal Cations and Microhydration on the Reaction Trajectory of the N3 <-> O2 Thymine Proton Transfer: Quantum Mechanical Study
Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role
Surface on Surface. Survey of the Monolayer Gold-Graphene Interaction from Au12 and PAH via Relativistic DFT Calculations
Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials
A comparative study between post-Hartree-Fock methods and density functional theory in closed-shell aurophilic attraction
Mechanistic insights into the dehalogenation reaction of fluoroacetate/fluoroacetic acid
Theoretical study on interactions of fluorinated organomercurials with arene and gold fragments
Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)
Computational Studies of the Metal-Binding Site of the Wild-Type and the H46R Mutant of the Copper, Zinc Superoxide Dismutase
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
Influence of Protonation on Substrate and Inhibitor Interactions at the Active Site of Human Monoamine Oxidase-A
A Computationally Efficient and Reliable Bond Order Measure
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
Spectroscopic characterization of the inclusion complexes of luteolin with native and derivatized beta-cyclodextrin
Studies of inclusion complexes of natural and modified cyclodextrin with (+)catechin by NMR and molecular modeling
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)

BookWhole (1)

Theoretical aspects of the reactivity of MN4 macrocyclics in electrochemical reactions

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
Chemical Processes and catalysis
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
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
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
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
Electronic and Optical Properties in Inorganic Supramolecular Chemistry of Complex Systems Based in Heavy Metals. Quantum Chemistry Study
Quantum Chemical Exploration of the Mechanisms for the Writing and Erasing of Epigenetic Marks that lead to Cancer

Review (1)

Noncovalent interactions in inorganic supramolecular chemistry based in heavy metals. Quantum chemistry point of view
45
Sebastián Miranda

Profesor Asistente

Departamento de Ciencias Químicas

UNIVERSIDAD NACIONAL ANDRES BELLO

Santiago, Chile

8
Fernando Mendizabal

Full Professor

Chemistry

UNIVERSIDAD DE CHILE - FACULTAD DE CIENCIAS

Santiago, Chile

7
Ramiro Arratia

DIRECTOR DOCTORADO

CIENCIAS QUIMICAS

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

5
Diego Cortés

Académico No Regular

Programa Institucional de Fomento a la Investigación, Desarrollo e Innovación

Universidad Tecnológica Metropolitana

Santiago, Chile

5
claudio olea

Full Professor

Inorganica y Analitica

UNIVERSIDAD DE CHILE

Santiago, Chile

4
Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

4
Paulina Sierra

Profesora Asociada

Universidad Tecnológica Metropolitana

Santiago, Chile

4
Juan Silva

Academic

Química de los Materiales

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

3
Alvaro Muñoz

Profesor Titular

Universidad San Sebastián

Santiago, Chile

3
Alvaro Muñoz

Full time professor

Dirección de Investigación y Postgrado

Universidad Autónoma de Chile

Santiago, Chile

3
Germán Barriga

Asociado

Quimica

Universidad Metropolitana de Ciencias de la Educación

Ñuñoa, Chile

3
José Zagal

Distinguished Professor

Chemistry of Materials

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

3
Lorena Barrientos

Profesor Asistente

Pontificia Universidad Católica de Chile

Santiago, Chile

3
Daniela Ortega

Profesora Asistente

Ciencias Químicas y Bíologicas

Universidad Bernardo O'Higgins

Santiago, Chile

2
Raul Mera

Profesor Asistente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

2
Ingrid Ponce

Assistant Professor

Departmento Ciencias del Ambiente

Univerisidad de Santiago de Chile

Santiago, Chile

2
MARITZA PAEZ

Full professor

Química de los Materiales

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

2
Gerald Zapata

Profesor Asociado

Química Inorgánica y Analítica

Universidad de Chile

Santiago, Chile

2
CAROLINA JULLIAN

Profesor Asociado

Quimica Organica y Fisicoquimica

UNIVERSIDAD DE CHILE

SANTIAGO, Chile

1
Tatiana Gómez

Assistant Proffesor

Engineering

UNIVERSIDAD AUTÓNOMA DE CHILE

SANTIAGO, Chile

1
Juan Squella

Académico

Química Orgánica y Físico Química

UNIVERSIDAD DE CHILE, FACULTAD DE CIENCIAS QUÍMICAS Y FARMACÉUTICAS

Santiago, Chile

1
Cristhian Berríos

Académico

Ciencias del Ambiente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

1
Nery Villegas

Profesor Asistente

Universidad de Concepción

Universidad de Concepción

Concepción, Chile

1
Desmond MacLeod-Carey

Associate Professor

Facultad de Ingeniería

Universidad Autónoma de Chile

Santiago, Chile

1
JORGE PAVEZ

Professor

Materials Chemistry

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

1
Maria Otero

Profesor Asociado

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

1
CRISTIAN ATALA

Profesor adjunto

Instituto de Biología

Pontificia Universidad Católica de Valparaíso

Curauma, Chile

1
José Salgado

Associate Professor

Chemical Engineering, Biotechnology and Materials

UNIVERSIDAD DE CHILE

Santiago, Chile

1
Angelica Fierro

Associate

Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

1
Mauricio Gonzalez

Profesor Titular

INTA

UNIVERSIDAD DE CHILE - INSTITUTO DE NUTRICION Y TECNOLOGIA DE ALIMENTOS

Santiago, Chile

1
Adrian Moreno

Assistant Professor

Escuela de Biociencias

Universidad Andres Bello

Santiago, Chile

1
Javier Morales

Profesor Asociado

Departamento de Ciencias y Tecnología Farmacéuticas

Universidad de Chile

Santiago, Chile

1
patricio fuentealba

Profesor Titular

Física

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

Santiago, Chile

1
Alexander Gamboa

Profesor Asistente

Ciencias del Ambiente

Universidad de Santiago de Chile

Santiago, Chile

1
SOLEDAD BOLLO

PROFESOR TITULAR

QUIMICA FARMACOLÓGICA Y TOXICOLÓGICA

UNIVERSIDAD DE CHILE

SANTIAGO, Chile

1
Diego Verdugo

Asistente de Investigación y Estudiante Doctorado en Biotecnología Traslacional

Ciencias Agrarias y Forestales

Universidad Católica del Maule

Talca, Chile