ArticleScientific reports2020
Simulation of electrochemical properties of naturally occurring quinones.
Article in Scientific reports, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed, 48 citations in OpenAlex.
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- Computational Screening of Electroactive Biobased-Phthalimide Molecules for Redox Flow Batteries.The Journal of organic chemistry · 2026Article
- A data-driven elucidation of the challenges in designing stable quinone derivatives for aqueous organic redox flow batteries: correlations between thermodynamics of chemical degradation and energy capacity metrics.Science and technology of advanced materials · 2026Article
- Review
- First-class - biosynthesis of 6-MSA and bostrycoidin type I polyketides inFrontiers in fungal biology · 2024Article
- Discovery of lead quinone cathode materials for Li-ion batteries.Digital discovery · 2023Article
- Tyrosinase Immobilization Strategies for the Development of Electrochemical Biosensors-A Review.Nanomaterials (Basel, Switzerland) · 2023Review
- Quinones as an Efficient Molecular Scaffold in the Antibacterial/Antifungal or Antitumoral Arsenal.International journal of molecular sciences · 2022Review
- Phoenicin Switch: Discovering the Trigger for Radical Phoenicin Production in Multiple Wild-TypeApplied and environmental microbiology · 2022Article
- Speed dating for enzymes! Finding the perfect phosphopantetheinyl transferase partner for your polyketide synthase.Microbial cell factories · 2022Article
- Fungal quinones: diversity, producers, and applications of quinones from Aspergillus, Penicillium, Talaromyces, Fusarium, and Arthrinium.Applied microbiology and biotechnology · 2021Review
- Production and Selectivity of Key Fusarubins fromToxins · 2021Article
- Promising Therapeutic Candidate for Myocardial Ischemia/Reperfusion Injury: What Are the Possible Mechanisms and Roles of Phytochemicals?Frontiers in cardiovascular medicine · 2021Review
- Heterologous Expression of the Core Genes in the Complex Fusarubin Gene Cluster ofInternational journal of molecular sciences · 2020Article
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Quinones are produced in organisms and are utilized as electron transfer agents, pigments and in defence mechanisms. Furthermore, naturally occurring quinones can also be cytotoxins with antibacterial properties. These properties can be linked to their redox properties. Recent studies have also shown that quinones can be utilized in flow battery technology, though naturally occurring quinones have not yet been investigated. Here, we have analyzed the properties of 990 different quinones of various biological sources through a computation approach to determine their standard reduction potentials and aqueous solubility. The screening was performed using the PBE functional and the 6-31G** basis set, providing a distribution of reduction potentials of the naturally occurring quinones varying from - 1.4 V to 1.5 V vs. the standard hydrogen electrode. The solvation energy for each quinone, which indicates the solubility in aqueous solution, was calculated at the same level. A large distribution of solubilities was obtained, containing both molecules that show tendencies of good solubilities and molecules that do not. The solubilities are dependent on the nature of the side groups and the size of the molecules. Our study shows that the group containing the quinones of fungal origin, which is also the largest of the groups considered, has the largest antimicrobial and electrochemical potential, when considering the distribution of reduction potentials for the compounds.
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Registered trials
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