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Carolina Stephania Castro Segura

Carolina Stephania Castro Segura
Universidad Politécnica de Yucatan · Basic Sciences

Master of Science

About

6
Publications
413
Reads
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5
Citations
Additional affiliations
October 2019 - present
Universidad Politécnica de Yucatan
Position
  • Signature Teacher
Description
  • Bilingual teacher, Subjects: Basic Chemistry, Mathematical Functions, Differential Calculus
August 2017 - November 2019
Universidad Autónoma de Yucatán, Facultad de Química
Position
  • Master's Student
October 2016 - July 2017
Avelino Montes Linaje, High School
Position
  • High school teacher
Education
July 2018 - August 2018
Universidad de Buenos Aires
Field of study
  • School of Biomolecules simulation
July 2015 - August 2015
Universidad de Guanajuato
Field of study
  • Research stay in Organic Synthesis
August 2011 - August 2016
Universidad Autónoma de Yucatán, Facultad de Química
Field of study
  • Chemistry

Publications

Publications (6)
Article
The reaction for the formation of the Xuxuarine Atriterpene dimer in an aqueous medium was studied using ONIOM/CPCM-X scheme at ONIOM(M06-2X/6-31G(d,p):PM6) level of theory, along with the inclusion of one and two explicit water molecules. The results show that the geometry of the water molecules in the reactants complex switches the mechanism fr...
Article
Full-text available
Acrolein dimerization is a intriguing case since the reaction does not occur to form the electronically preferred regioisomeric adduct. Various explanations have been suggested to rationalize this experimental regioselectivity, however, none of these arguments had been convincing enough. In this work, the hetero Diels–Alder acrolein dimerization wa...
Article
A theoretical mechanistic investigation of the cycloaddition reaction of quercetine with 3,5-di-tert-butyl-o-quinone has been carry out employing density functional calculations at M06-2X/6-31G(d,p) level of theory. This computational study was performed in order to gain insight in the energetic and structural parameters that rule the observed expe...
Article
Full-text available
Mechanistic theoretical studies about the feasibility of the traditional proposed mechanism of formation for icetexane diterpene dimer grandione were assessed using density functional method at the M06-2X/6-31G(d,p) level of theory. Bulk water solvent effects were taken into account implicitly using the polarizable continuum model (SCI-PCM). The re...
Poster
Flavonoids are a large class of plant metabolites, within this group of secondary polyphenols, quercetin is the most common flavone and widely known for its antioxidant properties. The antioxidant activity of quercetin has been linked to many factors including their chemical structure. Some studies suggest a relationship between the oxidation proce...

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Projects

Projects (2)
Project
Synthesize a selective ligand to treat giardiasis using QSAR-3D computational method.
Project
Analyze the [4 + 2] cycloaddition proposal for the biomimetic synthesis of the grandione using the functional density theory (DFT)