Man

Joel Bernabe Alderete Triviños

Full Professor

Universidad de Talca

Talca, Chile

Líneas de Investigación


Computational Drug design; Quantum-Chemistry calculations; Ligand-Receptor interactions; Computational and spectroscopic studies on drug delivery systems; Biocatalysis and modeling; Nanobiomaterials design

Educación

  •  Chemistry, UNIVERSIDAD DE CONCEPCION. Chile
  •  CHEMISTRY, UNIVERSIDAD DE CONCEPCION. Chile

Experiencia Académica

  •   Full Professor Full Time

    UNIVERSIDAD DE CONCEPCION

    CHEMICAL SCIENCES

    CONCEPCION, Chile

    1995 - 2019

  •   Full Professor Full Time

    UNIVERSIDAD DE TALCA

    Talca, Chile

    2019 - A la fecha

Experiencia Profesional

  •   Profesor Titular Full Time

    Universidad de Concepción

    Concepción, Chile

    1995 - 2018

Formación de Capital Humano


Postdoc projects
Mrs. Cecilia Torres. Fondecyt Postdoc Project, Universidad de Concepción (2013-2016)

Graduate students

Director of Doctoral thesis:
Dr. Carola Diaz. Chemistry Graduate Program, Universidad de Concepción (2015-2018)
Dr. Fabio Muñoz. Chemistry Graduate Program, Universidad de Concepción (2012-2015)
Dr. Luis Barraza. Chemistry Graduate Program, Universidad de Concepción (2013-2016)
Dr. Pabla Barra. Chemistry Graduate Program, Universidad de Concepción (2013-2017)
Dr. Karen Navarrete. Chemistry Graduate Program, Universidad de Concepción (2013- 2018)
Dr. Javier Silva. Chemistry Graduate Program, Universidad de Concepción (2007- 2010)
Dr. Sergio Aguila. Chemistry Graduate Program, Universidad de Concepción (2007- 2010)
Dr. Verónica Jimémez. Chemistry Graduate Program, Universidad de Concepción (2003- 2006)

Co-Director of Doctoral thesis:
Mrs. Kelly Marrugo. Chemistry Graduate Program, Universidad de Concepción (2018 to date)
Dr. Gonzalo Jaña. Chemistry Graduate Program, Universidad de Concepción (2007- 2010)

Director of Master in Science thesis:
Msc. Gloria Chávez. Chemistry Graduate Program, Universidad de Concepción (2014-2016)
Msc. Fabiola Medina. Chemistry Graduate Program, Universidad de Concepción (2010- 2012)
Msc. Sergio Aguila. Chemistry Graduate Program, Universidad de Concepción (2004- 2006)



 

Article (125)

Chilean crab (Aegla cholchol) as a new source of chitin and chitosan with antifungal properties against Candida spp
Host-guest complexation of curcumin and coumarin 6 with PAMAM-OH: Insight from fluorescence spectroscopy and molecular dynamics simulations
In Silico Design of Novel Mutant Anti-MUC1 Aptamers for Targeted Cancer Therapy
Visible-light-responsive folate-conjugated titania and alumina nanotubes for photodynamic therapy applications
Molecular modeling simulation studies reveal new potential inhibitors against HPV E6 protein
A QM/MM approach on the structural and stereoelectronic factors governing glycosylation by GTF-SI from Streptococcus mutans
Cytotoxicity and in vivo plasma kinetic behavior of surface-functionalized PAMAM dendrimers
Cytotoxicity, genotoxicity and uptake detection of folic acid-functionalized green upconversion nanoparticles Y2O3/Er3+, Yb3+ as biolabels for cancer cells
Effect of pH on Eosin Y/PAMAM interactions studied from absorption spectroscopy and molecular dynamics simulations
Gold catalysts supported on TiO2-nanotubes for the selective hydrogenation of p-substituted nitrobenzenes
Modulation of lateral and longitudinal interdimeric interactions in microtubule models by Laulimalide and Peloruside A association: A molecular modeling approach on the mechanism of microtubule stabilizing agents
Partially PEGylated PAMAM dendrimers as solubility enhancers of Silybin
Prevention of Synaptic Alterations and Neurotoxic Effects of PAMAM Dendrimers by Surface Functionalization
Upconversion rare earth nanoparticles functionalized with folic acid for bioimaging of MCF-7 breast cancer cells
A Novel Synthesis of Gold Nanoparticles Supported on Hybrid Polymer/Metal Oxide as Catalysts for p-Chloronitrobenzene Hydrogenation
Association of Methotrexate with Native and PEGylated PAMAM-G4 Dendrimers: Effect of the PEGylation Degree on the Drug-Loading Capacity and Preferential Binding Sites
Binding free energy calculations on E-selectin complexes with sLe(x) oligosaccharide analogs
Molecular modeling study on the tubulin-binding modes of epothilone derivatives: Insight into the structural basis for epothilones activity
Polyamido amine (PAMAM)-grafted magnetic nanotubes as emerging platforms for the delivery and sustained release of silibinin
Rhodium(I) diphenylphosphine complexes supported on porous organic polymers as efficient and recyclable catalysts for alkene hydrogenation
Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with alpha beta-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysis
Biocatalytic Performance of Chloroperoxidase from Caldariomyces fumago Immobilized onto TiO2 Based Supports
Discovery of New E-Selectin Inhibitors by Virtual Screening, Fluorescence Binding Assays, and STD NMR Experiments
Heterogeneous hydrogenation of nitroaromatic compounds on gold catalysts: Influence of titanium substitution in MCM-41 mesoporous supports
Maleic anhydride hydrogenation to succinic anhydride over mesoporous Ni/TiO 2 catalysts: Effects of Ni loading and temperature
Mechanism of PAMAM Dendrimers Internalization in Hippocampal Neurons
Methotrexate Complexation with Native and PEGylated PAMAM-G4: Effect of the PEGylation Degree on the Drug Loading Capacity and Release Kinetics
PAMAM-Conjugated Alumina Nanotubes as Novel Noncytotoxic Nanocarriers with Enhanced Drug Loading and Releasing Performances
PAMAM-grafted TiO2 nanotubes as novel versatile materials for drug delivery applications
Substrate ionization energy influences the epoxidation of m-substituted styrenes catalyzed by chloroperoxidase from Caldariomyces fumago
Ceanothane and oleanane-type triterpenes from Talguenea quinquenervia have insecticidal activity against Cydia pomonella, Tenebrio molitor and Drosophila melanogaster
Effect of PEGylation on the Structure and Drug Loading Capacity of PAMAM-G4 Dendrimers: A Molecular Modeling Approach on the Complexation of 5-Fluorouracil with Native and PEGylated PAMAM-G4
Enhancement of operational stability of chloroperoxidase from Caldariomyces fumago by immobilization onto mesoporous supports and the use of co-solvents
Structural basis for drug resistance conferred by beta-tubulin mutations: a molecular modeling study on native and mutated tubulin complexes with epothilone B
Complexation of Mefenamic Acid by Low-Generation PAMAM Dendrimers: Insight from NMR Spectroscopy Studies and Molecular Dynamics Simulations
Drug-dendrimer supramolecular complexation studied from molecular dynamics simulations and NMR spectroscopy
Structural insight into epothilones antitumor activity based on the conformational preferences and tubulin binding modes of epothilones A and B obtained from molecular dynamics simulations
Aspergillus niger catalyzes the synthesis of flavonoids from chalcones
Prediction model based on decision tree analysis for laccase mediators
Unusual activation during peroxidase reaction of a cytochrome c variant
Diffusion coefficients of first-generation polyamidoamine dendrimer and its beta-cyclodextrin conjugate in aqueous solution by means of molecular dynamics simulations
Scaling trend in diffusion coefficients of low generation G0-G3 PAMAM dendrimers in aqueous solution at high and neutral pH
A QM/MM study on the last two steps of the catalytic cycle of acetohydroxyacid synthase
Density-functional study on the equilibria in the ThDP activation
Enhancing oxidation activity and stability of iso-1-cytochrome c and chloroperoxidase by immobilization in nanostructured supports
Enzymatic fructosylation of aromatic and aliphatic alcohols by Bacillus subtilis levansucrase: Reactivity of acceptors
On the inhibition of AHAS by chlorimuron ethyl: A theoretical study
Structure activity relationship, acute toxicity and cytotoxicity of antimycobacterial neolignan analogues
Bioreduction of Some Common Carbonylic Compounds Mediated by Yeasts
Colorectal cancer chemoprevention by 2 beta-cyclodextrin inclusion compounds of auraptene and 4 '-geranyloxyferulic acid
Computational study on the carboligation reaction of acetohidroxyacid synthase: New approach on the role of the HEThDP- intermediate
Biotransformation of indole derivatives by mycelial cultures
Correlation models for the inclusion complexation of aliphatic compounds with alpha- and beta-cyclodextrins
Hartree-Fock and density functional theory study of alpha-cyclodextrin conformers
Stereoselective oxidation of R-(+)-limonene by chloroperoxidase from Caldariomyces fumago
Synthesis and mesomorphic properties of 3-(4-n-alkyloxyarylaminomethylene)chroman-2,4-diones
Biotransformation of 5 alpha-hydroxy-14-eudesm-11-en-3-one by Rhizopus nigricans, Cunninghamella elegans and Mucor plumbeus
New anionic cobalt complexes using highly hindered bis-amides with varying donor abilities as ligands
Production of exopolysaccharides by a submerged culture of an entomopathogenic fungus, Paecilomyces sp.
Structural studies of native Paecilomyces sp exopolysaccharide
"""On the complexation of allopurinol with ?-cyclodextrin"""
Biotransformation of tryptophan by liquid medium culture of Psilocybe coprophila (Basidiomycetes)
Complete basis set calculations on the tautomerism and protonation of triazoles and tetrazole
DFT derived solvation models for organic compounds in alkane solvents
On the complexation of allopurinol with beta-cyclodextrin
Regioand stereoselective hydroxylation of 5a-hydroxy-14-eudesm-11-en-3-one eudesmane by biotransformation of Rhizopus nigricans.
Cytotoxicity, antitumoral and antimycobacterial activity of tetrazole and oxadiazole derivatives
Inclusion complexation of phenol derivatives with a beta-cyclodextrin based polymer
New supramolecular liquid crystals induced by hydrogen bonding between pyridyl-1,2,4-oxadiazole derivatives and 2,5-thiophene dicarboxylic acid
Physico-chemical characterization of the inclusion complex between a 2-propen-1-amine derivative and beta-cyclodextrin
Properties of thermotropic liquid crystals induced by hydrogen bonding between pyridyl-1,2,4-oxadiazole derivatives and benzoic acid, 4-chlorobenzoic acid or 4-methylbenzoic acid
Regio and stereoselective hydroxylation of alpha-agarofuran by biotransformation of rhizopus nigricans
Synthesis and tautomeric studies of enamines from 1-(n-hexyl)-3-methyl-2-pyrazolin-5-one
The role of charge transfer interactions in the inclusion complexation of anionic guests with alpha-cyclodextrin
Theoretical calculations on the tautomerism of uric acid in gas phase and aqueous solution
Elucidation of inclusion compounds between beta-cyclodextrin/local anaesthetics structure: a theoretical and experimental study using differential scanning calorimetry and molecular mechanics
On the aggregation state and QSPR models. The solubility of herbicides as a case study
Synthesis and mesomorphic properties of esters derived from Schiff's bases containing 1,3,4-thiadiazole
A simple QSPR model for predicting soil sorption coefficients of polar and nonpolar organic compounds from molecular formula
Determination of the association constant of 6-thiopurine and chitosan grafted beta-cyclodextrin
Esters derived from 7-decanoyloxychromone-3-carboxylic acid: synthesis and mesomorphic properties
Hydrogen-bonded complexes between mesogenic heterocyclic Schiff's bases and mesogenic 4-n-nonyloxybenzoic acid: mesomorphic behaviour, FTIR study and PM3 semi-empirical calculations
Metallomesogens derived from chelating Schiff's bases containing 1,3,4-oxadiazole and 1,3,4-thiadiazole: Synthesis, characterization and study of mesomorphic properties.
Prediction of Henry's law constants of triazine derived herbicides from quantum chemical continuum solvation models
PREDICTION OF HENRYS LAW CONSTANTS OF TRIAZINE DERIVED HERBICIDES FROM QUANTUM CHEMICAL CONTINUUM SOLVATION MODELS
Characterisation and properties of the inclusion complex of 24-epibrassinolide with beta-cyclodextrin
On the calculation of Henry's law constants of chlorinated benzenes in water from semiempirical quantum chemical methods
Predicting gas chromatographic retention time of polychlorinated dibenzo-p-dioxins from molecular structure
Symmetric esters derived from 1,3,4-oxadiazole: synthesis, mesomorphic properties and structural study by semi-empirical calculations
Synthesis, mesomorphic properties and structural study by semi-empirical calculations of amides containing the 1,3,4-thiadiazole unit
Anti mycobacterial activity of 4 '-bromo-[1,1 '-biphenyl]-4-yl 4-x-phenylmethanone derivatives, and their acute toxicity and cytotoxicity
Azo compounds and Schiff's bases derived from 5-(4-pyridyl)-2-amino-1,3,4-thiadiazole: synthesis, mesomorphic properties and structural study by semi-empirical calculations
Prediction of infinite dilution activity coefficients of chlorinated organic compounds in aqueous solution from quantum-chemical descriptors
SYNTHESIS OF 1-n-ALKYL-3-METHYL- AND 1-n-ALKYL-3- PHENYL-5-PYRAZOLONES AND FORMYL DERIVATIVES
Use of NMR spectroscopy and MALDI-TOF MS in the structure elucidation of antioxidant flavonoids from the Chilean Cheilanthes glauca (Cav.) Mett.
Biological activities of violacein, a new antitumoral indole derivative, in an inclusion complex with beta-cyclodextrin
Inclusion complex of the antiviral drug acyclovir with cyclodextrin in aqueous solution and in solid phase
New Schiff's bases containing 1,3,4-thiadiazole and 1,3,4-oxadiazole units: a study of the effect of the heterocyclic ring and the position of the lateral alkoxy group on liquid crystalline properties
Violacein/beta-cyclodextrin inclusion complex formation studied by measurements of diffusion coefficient and circular dichroism
Structure-activity relationship analysis of 4'-bromo-[1,1'-biphenyl]-4- yl 4-X-phenyl methanone derivatives and activity against mycobacterium tuberculosis
SYNTHESIS AND TAUTOMERISM OF NEW 1-n-ALKYL-5-PYRAZOLONE DERIVATIVES
Study on synthesis of 3?,4?-dihydroxy-dihydro-?-agarofuran
Theoretical study of the tautomerism of 8-azaadenine
Ab initio calculations of the tautomerism of pyrazolo [3,4-D] pyridazine in the gas phase and aqueous solution
Derivatives of 1-n-alkyl-3-methyl-5-pyrazolones: Synthesis and tautomerism
Sintesis y tautomerismo de derivados de 1-n-alquil-3-metil-5-pirazolonas
Aqueous solvation effect on the tautomerism of 8-azapurine
Estudio teorico y de RMN De 15N De 6-amino-4-oxop1rimidinas
2-aminopyridine and protonated species - A theoretical and N-15-NMR study
Ab initio SCRF study of the tautomeric equilibrium of 2-thiopyrimidine
Aqueous solvation effect on the prototropic tautomerism of 2-thiocytosine
Theoretical and N-15-NMR study of 6-amino-4-oxopyrimidines
AM1 GAS-PHASE PROTON AFFINITIES OF 2-THIOCYTOSINE
MO CALCULATIONS OF SOLVENT EFFECTS ON THE PROTOTROPIC TAUTOMERISM OF 6-THIOPURINE
SCF-MO STUDIES ON THE TAUTOMERISM OF 2-MERCAPTOPYRIMIDINE IN AQUEOUS-SOLUTION
THE VIBRATIONAL-SPECTRA OF SOME 2-MERCAPTOPYRIMIDINE COMPLEXES OF MERCURY(II)
AM1 SEMIEMPIRICAL STUDY OF THE PROTOTROPIC TAUTOMERISM OF HYDROXY AND MERCAPTOPYRAZINES
SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON PYRIMIDINE-2-THIOL AND PYRIMIDINE-2-THIONE - PROTOTROPIC TAUTOMERISM
SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON THE PROTOTROPIC TAUTOMERISM OF 2-THIOCYTOSINE
AM1 STUDIES ON THE PROTOTROPIC TAUTOMERISM OF 6-THIOGUANINE
MNDO GAS-PHASE PROTON AND MERCURY AFFINITIES OF 2-MERCAPTO PYRIMIDINE
NMR AND DFT STUDY ON THE PROTOTROPIC TAUTOMERISM OF 3-METHYL-5-PYRAZOLONE
QUANTUM-CONNECTIVITY DESCRIPTORS IN MODELING SOLUBILITY OF ENVIRONMENTALLY IMPORTANT ORGANIC COMPOUNDS
The Syn-Anti Equilibrium of Guanosine Cyclic 3',5'- Monophosphate and 8-Sustituted Derivatives: A Theoretical Study
USO DE ESPECTROSCOPIA DE RMN Y MALDI-TOF MS EN LA ELUCIDACION ESTRUCTURAL DE FLAVONOIDES ANTIOXIDANTES PROVENIENTES DE LA PLANTA MEDICINAL CHILENA Cheilanthes glauca (Cav.) Mett.

Proyecto (15)

Novel PAMAM-Based Drug Nanocarriers with Potential Applications in Central Nervous System Diseases
STRUCTURE-BASED DRUG DESIGN OF NEW TUBULIN BINDING AGENTS WITH POTENTIAL ANTICANCER PROPERTIES
ESTUDIO EXPERIMENAL Y MODELAMIENTO COMPUTACIONAL DE CATALIZADORES Ni/NiTO2 PARA APLICACIONES EN CATALISIS HETEROGENEA
Host-Guest chemistry of conjugated PAMAM dendrimer nanocarriers
THEORETICAL APPROACH ON THE EPOTHILONE-TUBULIN BINDING MODE AND ITS RELATIONSHIP WITH THE ANTITUMOR ACTIVITY OF NATIVE AND MODIFIED EPOTHILONE ANALOGUES.
Theoretical study on the biosynthetic pathway catalyzed by AHAS
Estudio del proceso de autoinactivación de peroxidasas=> combinando la ingeniería de proteínas con la química computacional
STRUCTURE-PROPERTY RELATIONSHIPS FOR THE COMPLEXATION OF ORGANIC GUESTS WITH CYCLODEXTRIN-DENDRIMER CONJUGATES
MODELOS QSPR PARA LA INCLUSION DE HETEROCICLOS AROMATICOS EN CICLODEXTRINAS
Modelos QSPR para la Predicción de Propiedades Físico-Químicas de Herbicidas a Partir de Descriptores Químico-Cuánticos
MODELOS QSPR PARA LA PREDICCION DE PROPIEDADES FISICO-QUIMICAS DE HERBICIDAS A PARTIR DE DESCRIPTORES QUIMICO-CUANTICOS.
Estudo teórico em moleculas com atividade anti mycobacterium tuberculosis=> o caso dos derivados de 4’-bromo-[1,1’-bifenila]-4-il-4-x-fenilmetanon e violaceina
Ressonancia magnética nuclear em estado solido RMN C-13=> caracterização de lignina em polpas tratadas com xilanases e branqueadas com peroxido de hidrogenio
EFECTOS DEL SOLVENTE SOBRE EL TAUTOMERISMO Y PROTONACION DE TIOBASES DE LOS ACIDOS NUCLEICOS
MODELOS QSPR PARA LA INCLUSION DE HETEROCICLOS AROMATICOS EN CICLODEXTRINAS
128
Joel Alderete

Full Professor

Universidad de Talca

Talca, Chile

36
Veronica Jimenez

Assistant Professor

Chemistry

Universidad Andres Bello

Talcahuano, Chile

13
Eduardo Delgado

Professor

Physical-Chemistry

FACULTAD DE CIENCIAS QUIMICAS,UNIVERSIDAD DE CONCEPCION

Concepcion, Chile

12
Gonzalo Jaña

Profesor Asociado

Ciencias Químicas

Universidad Andres Bello

Concepción, Chile

12
Cristian Campos

Associate Professor

Físico-Química

Universidad de Concepción

Concepcion, Chile

10
Julio Alarcón

Docente

Ciencias Básicas

UNIVERSIDAD DEL BÍO-BÍO

Chillan, Chile

9
Cecilia Torres

Profesor Asistente

Ciencias Químicas

UNIVERSIDAD ANDRES BELLO

Talcahuano, Chile

8
Julio Belmar

Académico

Química Orgánica

UNIVERSIDAD DE CONCEPCION

CONCEPCION, Chile

8
Luis Barraza

ACADEMICO-INVESTIGADOR

DEPARTAMENTO DE CIENCIAS QUIMICAS

UNIVERSIDAD DE ANDRES BELLO

Concepción, Chile

6
Carola Díaz

Investigadora Fondecyt Postdoctoral

Departamento de Química

Universidad Andrés Bello

Talcahuano, Chile

6
JOSE GUZMAN

Full professor

Fisiología

Universidad de Concepción

Concepcion, Chile

5
Paulina Hidalgo

Assistant Professor

Organic Chemistry

UNIVERSIDAD DE CONCEPION

Concepcion, Chile

5
Matías Zúñiga

Postdoctorado

Centro de Bioinformática y Simulación Molecular

Universidad de Talca

TALCA, Chile

3
Pabla Barra

Principal Researcher

Advanced Materials

LEITAT Chile

Santiago, Chile

3
Gina Pecchi

Professor

Physical Chemistry

UNIVERSIDAD DE CONCEPCION

Concepcion, Chile

3
Gustavo Cabrera

Senior Researcher

Biomaterials

Technological Development Unit (UDT)-University of Concepcion

Coronel, Chile

2
Gonzalo Yévenes

Associate Professor

Universidad de Concepcion

Concepcion, Chile

2
Bruno Urbano

Profesor Asociado

Departamento de Polímeros

Universidad de Concepción

Concepción, Chile

2
JORGE FUENTEALBA

Chairman

Physiology

UNIVERISDAD DE CONCEPCION

Concepcion, Chile

2
Claudio Jimenez

Associate Professor

Organic Chemistry

UNIVERSIDAD DE CONCEPCIÓN, FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

2
CRISTIAN COVARRUBIAS

PROFESOR ASOCIADO

INSTITUTO DE INVESTIGACIÓN EN CIENCIAS ODONTOLÓGICAS

UNIVERSIDAD DE CHILE

SANTIAGO, Chile

2
Gerardo Cabello

Academico

Departamento de Ciencias Básicas

Universidad del Bio-Bio, Chile

Chillán, Chile

1
Ramiro Araya

UNIVERSIDAD DE CHILE, FAC. CIENCIAS QUÍMICAS Y FARMACÉUTICAS, DPTO. QUÍMICA ORGÁNICA Y FISICOQUÍMICA

Santiago, Chile

1
Hector Mansilla

PROFESSOR

ORGANIC CHEMISTRY

FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

1
Mario Silva

Emeritus Professor

Botany Department

UNIVERSIDAD DE CONCEPCION

Concepcion, Chile

1
JOSE BECERRA

Professor

Botany Department

UNIVERSIDAD DE CONCEPCIÓN

Concepción, Chile

1
Cecilia Tapia

Médico Asesor en Microbiología y Biología Molecular

Laboratorio

Clínica Dávila

SANTIAGO, Chile

1
Robinson Dinamarca

Académico

Curriculum e Instrucción

Universidad de Concepción

Concepción , Chile

1
Edgar Pastene

Profesor

Ciencias Básias

Universidad del Bío-Bío

Chillán, Chile

1
Aleksandra Nesic

Senior Investigator

Biomaterials

University of Concepcion, Chile

Concepcion, Chile

1
Maria Mendoza

Investigadora Postdoctoral

Ciencias Químicas

Universidad Andrés Bello

Talcahuano, Chile

1
Carolina Conejeros

Enfermera

Nefrología

Hospital Clínico de la Universidad de Chile

Santiago, Chile

1
Yadiris García

Profesor part time

Química Analítica e Inorgánica

Universidad de Concepción

Concepción, Chile

1
Patricio De los Ríos

Profesor Asistente

Departamento de Ciencias Biologicas y Químicas

UNIVERSIDAD CATÓLICA DE TEMUCO, ESCUELA DE CIENCIAS AMBIENTALES

Temuco, Chile