Clara Inés Alcolado Olivares

Dr. Clara Inés Alcolado Olivares

Physical Chemistry, University of Castilla-La Mancha, Ciudad Real, Spain
orcid
PhD student in Physical Chemistry

Research Focus & Metrics

Academic Career Length

4Years (2023-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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17 March 2023 in Antioxidants
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Journal Article
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COClara Inés Alcolado Olivares
Clara Inés Alcolado Olivares
LGLuis Garcia-Rio
Luis Garcia-Rio
Juan C. MejutoJuan C. Mejuto
Juan C. Mejuto
IMInmaculada Moreno
Inmaculada Moreno
FPFrancisco J Poblete
Francisco J Poblete
JTJuan Tejeda
Juan Tejeda
Benzaldehyde and its derivatives are used as food supplements. These substances can be used mainly as flavorings or as antioxidants. Besides, peroxynitrite, an oxidizing agent, could be formed in canned food. Both species could react between them. The present article has focused on the kinetic study of the oxidation of aldehydes by peroxynitrite. A reaction mechanism that justifies all the experimental results is proposed. This mechanism, in acidic media, passes through three competitive pathways: (a) a radical attack that produces benzoic acid. (b) peracid oxidation, and (c) a nucleophilic attack of peroxynitrous acid over aldehyde to form an intermediate, X, that produces benzoic acid, or, through a Cannizzaro-type reaction, benzoic acid and benzyl alcohol. All rate constants involved in the third pathway (c) have been calculated. These results have never been described in the literature in acid media. A pH effect was analyzed.

18 June 2025 in ACS ES&T Water
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Journal Article
Open access
COClara Inés Alcolado Olivares
Clara Inés Alcolado Olivares
EJElena Jiménez
Elena Jiménez
LGLuis García-Río
Luis García-Río
FPFrancisco J Poblete
Francisco J Poblete
Advances in science and technology have improved the quality of life but have also contributed to environmental pollution through additives like parabens, commonly used as preservatives in personal care products. This study investigates the degradation of a series of parabens (methylparaben, ethylparaben, propylparaben, and butylparaben) in aqueous-phase solution initiated by peroxynitrous acid (HOONO), an oxidant present in environmental waters. A stopped flow system was employed to follow this oxidation reaction. A reaction mechanism, considering experimental variables, such as pH, temperature, ionic strength, radical scavengers, and reaction products detected, was proposed. This mechanism involves two competitive pathways: a radical attack producing hydroquinone and quinone and a nucleophilic attack by HOONO yielding p-hydroxybenzoic acid, a less ecotoxic compound than parabens. The acidic equilibrium constants of the carbonyl group of parabens and the rate constants for the nucleophilic attack of HOONO on parabens were experimentally determined. Additionally, a structure–reactivity correlation analysis (QSAR) through the Taft equation was applied for the determined equilibrium and nucleophilic attack rate constants. The derived QSAR can be applied to other water-soluble parabens.

30 October 2026 in Journal of Geophysical Research: Atmospheres
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Journal Article
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COClara Inés Alcolado Olivares
Clara Inés Alcolado Olivares
MAMaria Angelaki
Maria Angelaki
ZGZhongyu GUO
Zhongyu GUO
EJElena Jiménez
Elena Jiménez
FPFrancisco J Poblete
Francisco J Poblete
Christian GEORGEChristian GEORGE
Christian GEORGE
Salicylic acid (SA, C 7 H 6 O 3 ) is an aromatic compound widely used in medicine and industry. Its low solubility and partial dissociation in water affect its environmental persistence and transport via atmospheric aerosols, leading to its increasing detection in seawater and sea spray aerosols. Recent European Union regulations have heightened interest in its chemical transformations in natural systems. This study investigated the degradation of SA initiated by ·OH radicals either (1) spontaneously generated at the air–water interface of SA aerosols at 25°C, or (2) in the bulk aqueous phase, where they were produced by UV photolysis ( λ > 300 nm) of H 2 O 2 or NO 3 − at 25°C. Aerosols were generated by nebulization, stabilized through alkaline deprotonation (pH 8.2), oxidized in a flow tube, collected onto filters and analyzed via ultra‐high‐performance liquid chromatography coupled with high‐resolution mass spectrometry (UHPLC‐HRMS), and at the bulk‐phase products at pH 4.5 were identified also by UHPLC‐HRMS. At the air–water interface, spontaneous dark oxidation yielded maleic acid, catechol, and dihydroxybenzoic acids within a 90‐s timescale. The bulk‐phase chemistry under simulated solar irradiation produced a consistent suite of products; notably, H 2 O 2 /UV and NO 3 − /UV systems also generated trihydroxylated derivatives, triggering a temporary toxic activation window flagged by REACH Annex III regulations. These results demonstrate that SA undergoes radical‐mediated oxidation in both phases through highly spatially decoupled mechanisms, highlighting its complex role in atmospheric multiphase chemistry.