Ana Martinez

Summary

Country: Mexico

Publications

  1. doi request reprint Donator acceptor map of psittacofulvins and anthocyanins: are they good antioxidant substances?
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Interior, Sin Numero Ciudad Universitaria, P O Box 70 360, Coyoacan, 04510, Mexico
    J Phys Chem B 113:4915-21. 2009
  2. doi request reprint Dinuclear copper complexes with imidazole derivative ligands: a theoretical study related to catechol oxidase activity
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito exterior s n, Ciudad Universitaria CP 04510, Mexico DF Mexico
    J Phys Chem B 116:8038-44. 2012
  3. doi request reprint Xanthones as antioxidants: a theoretical study on the thermodynamics and kinetics of the single electron transfer mechanism
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito exterior s n, Ciudad Universitaria, CP 04510, Mexico DF, Mexico
    Food Funct 3:442-50. 2012
  4. ncbi request reprint Antiradical power of carotenoids and vitamin E: testing the hydrogen atom transfer mechanism
    Ana Martinez
    Instituto de Investigaciones en Materiales Universidad Nacional Autonoma de Mexico, Circuito Interior, S N Ciudad Universitaria, P O Box 70 360, Coyoacan, 04510, Mexico DF
    J Phys Chem B 112:16945-51. 2008
  5. ncbi request reprint Donator-acceptor map and work function for linear polyene-conjugated molecules. A density functional approximation study
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Interior, S N Ciudad Universitaria, P O Box 70 360, Coyoacan 04510, Mexico DF
    J Phys Chem B 113:3212-7. 2009
  6. doi request reprint Free radical scavenger properties of α-mangostin: thermodynamics and kinetics of HAT and RAF mechanisms
    Ana Martinez
    Departamento de Materia Condensada y Criogenia, Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Mexico D F
    J Phys Chem B 115:12591-8. 2011
  7. doi request reprint Nonconventional hydrogen bonds: a theoretical study of [uracil-L](-) (L = F, Cl, Br, I, Al, Ga, In) complexes
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Ciudad Universitaria P O Box 70 360, Coyoacan, 04510 Mexico, D F Mexico
    J Phys Chem A 112:10399-404. 2008
  8. doi request reprint Donator acceptor map for carotenoids, melatonin and vitamins
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Interior, S N, Ciudad Universitaria, P O Box 70 360, Coyoacan, 04510, Mexico
    J Phys Chem A 112:9037-42. 2008
  9. ncbi request reprint Deprotonated cytosine anions: a theoretical prediction of photoelectron spectra
    Marco Vinicio Vazquez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apdo Postal 70 360, Mexico, D F, 04510, Mexico
    J Phys Chem A 110:11174-7. 2006
  10. doi request reprint Cis carotenoids: colorful molecules and free radical quenchers
    Elizabeth Hernandez-Marin
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Ext s n, Ciudad Universitaria, P O Box 70 360, Coyoacan, 04510 Mexico, D F Mexico
    J Phys Chem B 117:4050-61. 2013

Collaborators

Detail Information

Publications25

  1. doi request reprint Donator acceptor map of psittacofulvins and anthocyanins: are they good antioxidant substances?
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Interior, Sin Numero Ciudad Universitaria, P O Box 70 360, Coyoacan, 04510, Mexico
    J Phys Chem B 113:4915-21. 2009
    ..The information presented here may also be valuable for the design and analysis of further experiments...
  2. doi request reprint Dinuclear copper complexes with imidazole derivative ligands: a theoretical study related to catechol oxidase activity
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito exterior s n, Ciudad Universitaria CP 04510, Mexico DF Mexico
    J Phys Chem B 116:8038-44. 2012
    ..The catechol moiety coordinates to only one Cu ion, but two metal atoms are needed in order to have a good electron acceptor capacity of the biomimetic models...
  3. doi request reprint Xanthones as antioxidants: a theoretical study on the thermodynamics and kinetics of the single electron transfer mechanism
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito exterior s n, Ciudad Universitaria, CP 04510, Mexico DF, Mexico
    Food Funct 3:442-50. 2012
    ..The monoanions of xanthones, which are present under physiological conditions were found to react with ˙OH at diffusion-limited rates...
  4. ncbi request reprint Antiradical power of carotenoids and vitamin E: testing the hydrogen atom transfer mechanism
    Ana Martinez
    Instituto de Investigaciones en Materiales Universidad Nacional Autonoma de Mexico, Circuito Interior, S N Ciudad Universitaria, P O Box 70 360, Coyoacan, 04510, Mexico DF
    J Phys Chem B 112:16945-51. 2008
    ..We hope that our theoretical results will contribute to the advancement of this complex research field...
  5. ncbi request reprint Donator-acceptor map and work function for linear polyene-conjugated molecules. A density functional approximation study
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Interior, S N Ciudad Universitaria, P O Box 70 360, Coyoacan 04510, Mexico DF
    J Phys Chem B 113:3212-7. 2009
    ..This may be important for future applications, where the movement of the electrons is crucial...
  6. doi request reprint Free radical scavenger properties of α-mangostin: thermodynamics and kinetics of HAT and RAF mechanisms
    Ana Martinez
    Departamento de Materia Condensada y Criogenia, Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Mexico D F
    J Phys Chem B 115:12591-8. 2011
    ..Their capacity to scavenge OOH free radical is similar to that of carotenes, higher than that of allicin, much higher than that of melatonin and N-acetylcysteine amide, and about 15 times lower than that of 2-propenesulfenic acid...
  7. doi request reprint Nonconventional hydrogen bonds: a theoretical study of [uracil-L](-) (L = F, Cl, Br, I, Al, Ga, In) complexes
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Ciudad Universitaria P O Box 70 360, Coyoacan, 04510 Mexico, D F Mexico
    J Phys Chem A 112:10399-404. 2008
    ..Vertical electron detachment energies (VEDEs) are higher for (uracil-L) (-) than the analogous values for isolated L (-) anions. Predicted VEDEs are assigned to Dyson orbitals that may be localized on L (-) or uracil...
  8. doi request reprint Donator acceptor map for carotenoids, melatonin and vitamins
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Interior, S N, Ciudad Universitaria, P O Box 70 360, Coyoacan, 04510, Mexico
    J Phys Chem A 112:9037-42. 2008
    ..These results may be helpful for understanding the role played by naturally occurring pigments, acting as radical scavengers either donating or accepting electrons...
  9. ncbi request reprint Deprotonated cytosine anions: a theoretical prediction of photoelectron spectra
    Marco Vinicio Vazquez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apdo Postal 70 360, Mexico, D F, 04510, Mexico
    J Phys Chem A 110:11174-7. 2006
    ..The order of higher final states is changed when relaxation and correlation effects are considered. Considerable mixing between lone-pair and bonding lobes occurs in the sigma Dyson orbitals...
  10. doi request reprint Cis carotenoids: colorful molecules and free radical quenchers
    Elizabeth Hernandez-Marin
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Ext s n, Ciudad Universitaria, P O Box 70 360, Coyoacan, 04510 Mexico, D F Mexico
    J Phys Chem B 117:4050-61. 2013
    ..Additionally, the formation of a complex between astaxanthin and Cu(2+) is explored as well as the effect that the metal atom will have in the UV-vis spectrum...
  11. doi request reprint The metal cation chelating capacity of astaxanthin. Does this have any influence on antiradical activity?
    Elizabeth Hernandez-Marin
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito exterior s n, C U P O Box 70 360, Coyoacan, 04510 Mexico, D F, Mexico
    Molecules 17:1039-54. 2012
    ....
  12. doi request reprint Capsaicin, a tasty free radical scavenger: mechanism of action and kinetics
    Annia Galano
    Departamento de Quimica, Universidad Autonoma Metropolitana Iztapalapa, San Rafael Atlixco 186, Col Vicentina, Iztapalapa, C P 09340, Mexico D F, Mexico
    J Phys Chem B 116:1200-8. 2012
    ..In this particular case a wider product distribution is predicted. This supports the role of the reacting free radical on the preponderant mechanism of action of free radical scavengers...
  13. doi request reprint What is important to prevent oxidative stress? A theoretical study on electron-transfer reactions between carotenoids and free radicals
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito exterior s n, Ciudad Universitaria, CP 04510, Mexico DF, Mexico
    J Phys Chem B 113:12113-20. 2009
    ..The reactions were found to become exergonic when the EA of the free radical involved reaches a value of approximately 5 eV...
  14. doi request reprint Theoretical study of neutral, anionic, and cationic uracil-Ag and uracil-Au systems: nonconventional hydrogen bonds
    Job Valdespino-Saenz
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito exterior s n, C U, P O Box 70 360, Coyoacan, 04510, Mexico, DF Mexico
    J Phys Chem A 112:2408-14. 2008
    ..It is possible that tight competition exists between the H dissociation and electron aloofness...
  15. doi request reprint Carbohydrates and their free radical scavenging capability: a theoretical study
    Elizabeth Hernandez-Marin
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito exterior s n, C U P O Box 70 360, Coyoacan, 04510 Mexico, DF Mexico
    J Phys Chem B 116:9668-75. 2012
    ..Finally, it is suggested that the carbohydrates are not able to directly scavenge OOH(•)...
  16. doi request reprint Do anionic gold clusters modify conventional hydrogen bonds? The interaction of anionic Au(n) (n = 2-4) with the adenine-uracil base pair
    Ana Martinez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito exterior s n, C U, P O Box 70 360, Coyoacan, 04510
    J Phys Chem A 113:1134-40. 2009
    ..These results will be useful for further experimental studies and may be important for future applications...
  17. doi request reprint Theoretical study of the novel sandwich compound [Au3Cl3Tr 2]2+
    Jesús Muñiz
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70 360, Mexico, Mexico DF 04510, Mexico
    J Mol Model 14:417-25. 2008
    ..The Au -Au bond lengths indicate that an intramolecular aurophilic interaction among the Au(I) cations plays an important role in the bonding of the central metal sheet...
  18. doi request reprint Synthesis and characterization of novel dendrons bearing amino-nitro-substituted azobenzene units and oligo(ethylene glycol) spacers: thermal, optical properties, Langmuir blodgett films and liquid-crystalline behaviour
    Jesús Ortíz-Palacios
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Ciudad Universitaria, C P 04510 D F, Mexico
    Molecules 18:1502-27. 2013
    ..Finally, some of the dendrons showed a liquid crystalline behaviour, which was studied by light polarized microscopy as a function of the temperature in order to determine the transition temperatures and the structure of the mesophase...
  19. doi request reprint Theoretical study on the series of [Au(3)Cl (3)M (2)] complexes, with M = Li, Na, K, Rb, Cs
    Jesús Muñiz
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, DF, Mexico
    J Mol Model 15:1165-73. 2009
    ....
  20. ncbi request reprint Theoretical study of novel azo-tetraphenylporphyrins: potential photovoltaic materials
    Elizabeth Hernandez-Marin
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Exterior SN Ciudad Universitaria, C P 04510 Coyoacán, Mexico City, Mexico
    J Phys Chem A 118:197-207. 2014
    ..Moreover, the energy of the high intensity absorption bands also fulfills the requirements needed for the operation of a solar cell built with TiO2 and the I(-)/I3(-) pair. ..
  21. doi request reprint Construction of simplified models to simulate estrogenic disruptions by esters of 4-hydroxy benzoic acid (parabens)
    Patricia Guadarrama
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70 360, CU, Coyoacan, Mexico DF 04510, Mexico
    Biophys Chem 137:1-6. 2008
    ..The antibacterial activity of parabens was also explored considering the formation of potassium salts in the phenolic OH groups. From the obtained relative energy values, methylparaben is the most active preservative...
  22. pmc Phenylpropanoid glycoside analogues: enzymatic synthesis, antioxidant activity and theoretical study of their free radical scavenger mechanism
    Agustín López-Munguía
    Departamento Ingeniería Celular y Biocatálisis, Instituto de Biotecnologia, Universidad Nacional Autonoma de Mexico, Cuernavaca, Morelos, Mexico
    PLoS ONE 6:e20115. 2011
    ..The enzymatic process reported in this study is an efficient and versatile route to obtain PPGs from different phenylpropanoid acids, sugars and phenolic alcohols...
  23. doi request reprint Theoretical study of cytosine-Al, cytosine-Cu and cytosine-Ag (neutral, anionic and cationic)
    Marco Vinicio Vazquez
    Instituto de Investigaciones en Materiales Universidad Nacional Autonoma de Mexico, Circuito Exterior sin numero, Ciudad Universitaria, Apdo Postal 70 360, Mexico DF, 04510, Mexico
    J Phys Chem A 112:1033-9. 2008
    ..Their binding energies fall within the range of -20.0 to -55.4 kcal/mol (depending on the scheme of the reaction) and thus they are classified as examples of strong (>10 kcal/mol) hydrogen bonds...
  24. doi request reprint Iron, cadmium, and chromium in seagrass (Thalassia testudinum) from a coastal nature reserve in karstic Yucatán
    Mayra Avelar
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Mexico, DF 04510, Mexico
    Environ Monit Assess 185:7591-603. 2013
    ..Temporal changes of concentrations in the seagrass tissues show also a local input and an input from the groundwater that could provoke an environmental problem in the Yalahau Lagoon in the near future...
  25. ncbi request reprint Ca, Cd, Zn, and their ions interacting with Cytosine: a theoretical study
    Marco Vinicio Vazquez
    Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Exterior sin numero, Ciudad Universitaria, Apdo Postal 70 360, Mexico D F, 04510, Mexico
    J Phys Chem A 111:9931-9. 2007
    ..Aromaticities computed via the HOMA indexes also support the observation regarding the greater affinity of cytosine for metal cations...