Nelaine Mora-Diez, Thompson Rivers University

Latest papers

Computational Study of the Peroxyl Radical Scavenging Ability of Phenolic Antioxidants.
Antioxidants (Basel, Switzerland) · 2026 · senior author
Modelling the Repair of Carbon-Centered Protein Radicals by Phenolic Antioxidants.
Antioxidants (Basel, Switzerland) · 2024 · senior author
Calculating the Aqueous pKa of Phenols: Predictions for Antioxidants and Cannabinoids.
Antioxidants (Basel, Switzerland) · 2023 · senior author

All 12 publications

Latest funding

Theoretical Studies of Biochemical and Environmental Relevance
NSERC · 2022 · Principal investigator
$108,000
Theoretical Studies of Environmental and Biochemical Relevance
NSERC · 2017 · Principal investigator
$110,000
Theoretical studies in organic and environmental chemistry
NSERC · 2009 · Principal investigator
$135,000

All 6 grants and awards

12 publications.

01

Computational Study of the Peroxyl Radical Scavenging Ability of Phenolic Antioxidants.

Barisoff A, Walton-Raaby M, Jofily P, Mora-Diez N

Antioxidants (Basel, Switzerland)2026Senior author

DOI: 10.3390/antiox15070868 PMID: 42510599

02

Modelling the Repair of Carbon-Centered Protein Radicals by Phenolic Antioxidants.

Walton-Raaby M, Floen T, Mora-Diez N

Antioxidants (Basel, Switzerland)2024Senior author

DOI: 10.3390/antiox13111368 PMID: 39594510

03

Calculating the Aqueous pKa of Phenols: Predictions for Antioxidants and Cannabinoids.

Walton-Raaby M, Floen T, García-Díez G, Mora-Diez N

Antioxidants (Basel, Switzerland)2023Senior author

DOI: 10.3390/antiox12071420 PMID: 37507958

04

Complexes of Copper and Iron with Pyridoxamine, Ascorbic Acid, and a Model Amadori Compound: Exploring Pyridoxamine's Secondary Antioxidant Activity.

García-Díez G, Monreal-Corona R, Mora-Diez N

Antioxidants (Basel, Switzerland)2021Senior author

DOI: 10.3390/antiox10020208 PMID: 33535448

05

Theoretical Study of the Iron Complexes with Aminoguanidine: Investigating Secondary Antioxidant Activity.

García-Díez G, Mora-Diez N

Antioxidants (Basel, Switzerland)2020Senior author

DOI: 10.3390/antiox9080756 PMID: 32824195

06

Theoretical Study of the Iron Complexes with Lipoic and Dihydrolipoic Acids: Exploring Secondary Antioxidant Activity.

Monreal-Corona R, Biddlecombe J, Ippolito A, Mora-Diez N

Antioxidants (Basel, Switzerland)2020Senior author

DOI: 10.3390/antiox9080674 PMID: 32731543

07

Theoretical Study of the Copper Complexes with Aminoguanidine: Investigating Secondary Antioxidant Activity.

García-Díez G, Ramis R, Mora-Diez N

ACS omega2020Senior author

DOI: 10.1021/acsomega.0c01175 PMID: 32596588

08

Theoretical Study of the Reactivity and Selectivity of Various Free Radicals with Cysteine Residues.

Romero-Silva A, Mora-Diez N, Alvarez-Idaboy JR

ACS omega2018

DOI: 10.1021/acsomega.8b02964 PMID: 31458285

09

Thermodynamic stability of neutral and anionic PFOS: a gas-phase, n-octanol, and water theoretical study.

Montero-Campillo MM, Mora-Diez N, Lamsabhi AM

The journal of physical chemistry. A2010

DOI: 10.1021/jp105187w PMID: 20735044

10

The Baeyer-Villiger reaction: solvent effects on reaction mechanisms.

Mora-Diez N, Keller S, Alvarez-Idaboy JR

Organic & biomolecular chemistry2009First author

DOI: 10.1039/b906058h PMID: 19707672

Theoretical Studies of Biochemical and Environmental Relevance

Principal investigatorNSERC2022Discovery Grants Program - Individual

Principal investigators: Mora-Diez, Nelaine

Keywords: theoretical physical chemistry; strategies to reduce opioids addiction; cannabinoids to treat opioid addiction; candu nuclear reactors; thermodynamic studies; equilibrium constants calculation; deuterium isotope effects (die) on pk values; dft methods; qm/mm calculations

$108,000

Theoretical Studies of Environmental and Biochemical Relevance

Principal investigatorNSERC2017Discovery Grants Program - Individual

Principal investigators: Mora-Diez, Nelaine

$110,000

Theoretical studies in organic and environmental chemistry

Principal investigatorNSERC2009Discovery Grants Program - Individual

Principal investigators: MoraDiez, Nelaine

$135,000

Linux parallel cluster for innovative research in chemistry

Principal investigatorNSERC2007Research Tools and Instruments - Category 1 (<$150,000)

Principal investigators: MoraDiez, Nelaine

$24,599

Theoretical thermodynamic and kinetic studies of organic systems of interest

Principal investigatorNSERC2007Discovery Grants Program - Individual

Principal investigators: MoraDiez, Nelaine

$54,000

Computational studies of reactions of atmospheric interest: from gas phase to selective catalytic reduction

Principal investigatorNSERC2004Discovery Grants Program - Individual

Principal investigators: MoraDiez, Nelaine

$80,808

From CIHR, NSERC and SSHRC funding decisions: CIHR since 2008, NSERC since 1991 and SSHRC since 1998, including their latest published competition results.

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Subject: Prospective PhD student Dear Professor Mora-Diez, My name is [your name], and I am a [your current degree or role] at [your institution]. I am applying for a PhD position starting in [term and year]. I read your paper "Computational Study of the Peroxyl Radical Scavenging Ability of Phenolic Antioxidants." (2026), and it connects closely to my own work on [your research topic]. [One or two sentences on what you did and what you learned.] I also saw your NSERC-funded project "Theoretical Studies of Biochemical and Environmental Relevance" (2022), and I would be glad to contribute to work in that direction. Are you accepting new PhD students for [term and year]? I have attached my CV and transcripts, and I would be glad to talk at a time that suits you. Thank you for your time. Kind regards, [your name]