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Chemistry

D-Index
49
Citations
8297
World Ranking
14860
National Ranking
15

Overview

J. Raúl Alvarez-Idaboy is affiliated with the National Autonomous University of Mexico in Mexico. Their work primarily spans the fields of chemistry and medicine, with a strong focus on organic chemistry as well as materials chemistry, biochemistry, molecular biology, and oncology.

Their research investigates topics related to free radicals and antioxidants, antioxidant activity and oxidative stress, electron spin resonance studies, photochemistry and electron transfer studies, computational drug discovery methods, chemistry and chemical engineering, and crystallization and solubility studies.

Alvarez-Idaboy has published in several scientific journals, with frequent contributions to the following venues:

  • Journal of Molecular Modeling
  • New Journal of Chemistry
  • The Cambridge Structural Database
  • Antioxidants
  • The Journal of Physical Chemistry B

The scientist's recent papers include:

  • Computationally Designed Sesamol Derivatives Proposed as Potent Antioxidants, 2020, ACS Omega
  • Chalcogen effects on the primary antioxidant activity of chrysin and quercetin, 2020, New Journal of Chemistry
  • The Antioxidant Capability of Higenamine: Insights from Theory, 2020, Antioxidants
  • Insights into the Mechanism of Hydroxyl Radical Mediated Oxidations of 2-Aminopurine: A Computational and Sonochemical Product Analysis Study, 2020, The Journal of Physical Chemistry B
  • The Synergy between Glutathione and Phenols-Phenolic Antioxidants Repair Glutathione: Closing the Virtuous Circle-A Theoretical Insight, 2023, Antioxidants

They have collaborated frequently with several coauthors, including:

  • Annia Galano
  • Alan Mendieta
  • Víctor M. Ugalde-Saldívar
  • Marcos Flores-Álamo
  • Alfonso Armenta

Best Publications

  • A computational methodology for accurate predictions of rate constants in solution: application to the assessment of primary antioxidant activity.

    Annia Galano;Juan Raúl Alvarez-Idaboy

  • Food Antioxidants: Chemical Insights at the Molecular Level

    Annia Galano;Gloria Mazzone;Ruslán Alvarez-Diduk;Tiziana Marino

  • On the importance of prereactive complexes in molecule-radical reactions: hydrogen abstraction from aldehydes by OH.

    J. R. Alvarez-Idaboy;Nelaine Mora-Diez;Russell J. Boyd;Annik Vivier-Bunge

  • Antioxidant activity of trans-resveratrol toward hydroxyl and hydroperoxyl radicals: a quantum chemical and computational kinetics study.

    Cristina Iuga;J Raúl Alvarez-Idaboy;Nino Russo

  • Kinetics of radical-molecule reactions in aqueous solution: a benchmark study of the performance of density functional methods.

    Annia Galano;Juan Raúl Alvarez-Idaboy

  • A Quantum Chemical and Classical Transition State Theory Explanation of Negative Activation Energies in OH Addition To Substituted Ethenes

    † J. Raúl Alvarez-Idaboy;Nelaine Mora-Diez,†,‡ and;§ Annik Vivier-Bunge

  • Computational strategies for predicting free radical scavengers' protection against oxidative stress: Where are we and what might follow?

    Annia Galano;Juan Raúl Alvarez‐Idaboy

  • Glutathione: mechanism and kinetics of its non-enzymatic defense action against free radicals

    Annia Galano;J. Raúl Alvarez-Idaboy;J. Raúl Alvarez-Idaboy

  • A new approach to counterpoise correction to BSSE

    Annia Galano;J. Raúl Alvarez-Idaboy

  • Counterpoise corrected interaction energies are not systematically better than uncorrected ones: comparison with CCSD(T) CBS extrapolated values

    Juan Raul Alvarez-Idaboy;Annia Galano

  • ROS Initiated Oxidation of Dopamine under Oxidative Stress Conditions in Aqueous and Lipidic Environments

    Cristina Iuga;J. Raul Alvarez-Idaboy;J. Raul Alvarez-Idaboy;Annik Vivier-Bunge

  • Gas phase reactions of C1???C4 alcohols with the OH radical: A quantum mechanical approach

    Annia Galano;J. Raúl Alvarez-Idaboy;Graciela Bravo-Pérez;Ma. Esther Ruiz-Santoyo

  • Empirically Fitted Parameters for Calculating pKa Values with Small Deviations from Experiments Using a Simple Computational Strategy

    Annia Galano;Adriana Pérez-González;Romina Castañeda-Arriaga;Leonardo Muñoz-Rugeles

  • Guanosine + OH radical reaction in aqueous solution: a reinterpretation of the UV-vis data based on thermodynamic and kinetic calculations.

    Annia Galano;J. Raul Alvarez-Idaboy

  • OH radical gas phase reactions with aliphatic ethers: a variational transition state theory study.

    Claudia Zavala-Oseguera;Juan R. Alvarez-Idaboy;Gabriel Merino;Annia Galano

  • On the chemical repair of DNA radicals by glutathione: hydrogen vs electron transfer

    Juan Raúl Alvarez-Idaboy;Annia Galano

  • Can a Single Water Molecule Really Catalyze the Acetaldehyde + OH Reaction in Tropospheric Conditions?

    Cristina Iuga;Cristina Iuga;J. Raul Alvarez-Idaboy;Lino Reyes;Annik Vivier-Bunge

  • Piceatannol, a better peroxyl radical scavenger than resveratrol

    Moises Cordova-Gomez;Annia Galano;J. Raúl Alvarez-Idaboy

  • The mechanism of the Baeyer–Villiger rearrangement: quantum chemistry and TST study supported by experimental kinetic data

    J. Raul Alvarez-Idaboy;Lino Reyes;Nelaine Mora-Diez

  • Comprehensive Investigation of the Antioxidant and Pro-oxidant Effects of Phenolic Compounds: A Double-Edged Sword in the Context of Oxidative Stress?

    Romina Castañeda-Arriaga;Adriana Pérez-González;Miguel Reina;J. Raúl Alvarez-Idaboy

  • Quantum chemistry and TST study of the mechanisms and branching ratios for the reactions of OH with unsaturated aldehydes

    Aidee Vega-Rodriguez;J. Raúl Alvarez-Idaboy

Frequent Co-Authors

Annia Galano
Annia Galano Universidad Autónoma Metropolitana
Nino Russo
Nino Russo University of Calabria
Leif A. Eriksson
Leif A. Eriksson University of Gothenburg
José Pedraza-Chaverri
José Pedraza-Chaverri National Autonomous University of Mexico
Carl Erik Olsen
Carl Erik Olsen University of Copenhagen
Russel J. Reiter
Russel J. Reiter The University of Texas Health Science Center at San Antonio
Lauri Niinistö
Lauri Niinistö Aalto University
Alberto Vela
Alberto Vela CINVESTAV
Stenbjörn Styring
Stenbjörn Styring Uppsala University
Markku Leskelä
Markku Leskelä University of Helsinki

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