Directorio

Guzmán‐López, E. G., Reina, M., Hernández‐Ayala, L. F., & Galano, A. (2023). Rational design of multifunctional ferulic acid derivatives aimed for Alzheimer’s and Parkinson’s diseases. Antioxidants, 12(6), 1256. (IF=7.675, ISSN: 2076-3921, Q1).
DOI:10.3390/antiox12061256

Reina, M.*, This, H., & Reina, A. (2023). Reply to “Using the Right Words in the Right Way: Atom, Molecule, Element, and Compound”. Journal of Chemical Education, 100(1), 7-9. (IF=3.208, ISSN: 1938-1328, Q2).
DOI:10.1021/acs.jchemed.2c00946

Reina, A., Lhardy, C., García-Ortega, H., Gracia-Mora, J., Marín-Becerra, A., & Reina, M.* (2023). GALIO Gaming: Aprendizaje Lúdico de Química Inorgánica y Orgánica Parte 1: Desarrollo de un proyecto lúdico-didáctico en la Facultad de Química de la UNAM. Educación Química, 34(2), 108-138. (IF=0.4, ISSN: 0187-893X, Q4).
DOI:10.22201/fq.18708404e.2023.2.83704

Miguel-Gómez, J. E., Salazar, D., & Reina, M.* (2023). Intermolecular Forces Dominoes! A Game for Aiding Students in Their Review of Intermolecular Forces. Journal of Chemical Education, 99, 2999-3006. (IF=3.208, ISSN: 1938-1328, Q2).
DOI:10.1021/acs.jchemed.3c00024

Barrón-Zambrano, J. A., Ordaz-Rivera, J., Carrera-Figueiras, C., Celaya, C. A., Reina, M., Uc-Cayetano, E. G., Pérez-Padilla, Y., Estrella-Gutiérrez, M. A., & Esparza-Ruiz, A. (2023). Efficient Removal of Lead(II), Cadmium(II) and Zinc(II) from Aqueous Solutions by Bis[2-(1H-benzimidazol-2-il)phenyl]disulfide, a Solid Chelating Agent. Chemistry Select, 8, 1-9 (IF=2.307, ISSN: 2365-6549, Q2).
DOI:10.1002/slct.202300697

Paularokiadoss, F., Adaikalaraj, C., Marianathan, M. S., Anand, G., Periyasamy, S., Jeyakumar, T. C., Reina, M., & Celaya, C. A. (2022). Exploring the Fe doped borazine system as a promising CFC adsorbent: A DFT study. Computational and Theoretical Chemistry, 1217, 113903. (IF=1.926, ISSN:2210-271X, Q3).
DOI:10.1016/j.comptc.2022.113903

Guzman-Lopez, E. G., Reina, M. A., Pérez-González, A., Francisco-Márquez, M., Hernández-Ayala, L. F., Castañeda-Arriaga, R., & Galano, A. (2022). CADMA-Chem: A Computational Protocol Based on Chemical Properties Aimed to Design Multifunctional Antioxidants. International Journal of Molecular Sciences, 23(21), 13246-13272. (IF=4.556, ISSN: 1422-0067, Q1).
DOI:10.3390/ijms232113246

Reina, M., Guzmán‐López, E. G. & Galano, A.* (2022). Computational design of rasagiline derivatives: Searching for enhanced antioxidant capability. International Journal of Quantum Chemistry.
DOI:10.1002/qua.27011

Reina, M., Guerrero-Ríos, I. & Reina, A.* (2022). The Study of Metal–Carbonyl Complexes by Means of Computational IR Spectra Analysis: A Remote Didactic Approach Based on Chemical Thinking. Journal of Chemical Education, 99(9), 3211-3217.
DOI:10.1021/acs.jchemed.2c00577

Godínez-Loyola, Y., Gracia-Mora, J., Rojas-Montoya, I. D., Hernández-Ayala, L. F., Reina, M., Ortiz-Frade, L. A., Rascón-Valenzuela, L. A., Robles-Zepeda, R. E., Gómez-Vidales, V., Bernad-Bernad, M. J.* & Ruiz-Azuara, L.* (2022). Casiopeinas® third generation, with indomethacin: synthesis, characterization, DFT studies, antiproliferative activity, and nanoencapsulation. RSC Advances, 12(33), 21662-21673.
DOI:10.1039/d2ra03346a

Reina, M.*, This, H.* & Reina, A.* (2022). Improving the Understanding of Chemistry by Using the Right Words: A Clear-Cut Strategy to Avoid Misconceptions When Talking about Elements, Atoms, and Molecules. Journal of Chemical Education, 99(8), 2999-3006.
DOI:10.1021/acs.jchemed.2c00411

Lhardy, C., García-Ortega, H., Gracia-Mora, J., Marín-Becerra, A., Reina, A.* & Reina, M.* (2022). Unit Kemps: A Matching Card Game to Learn Physical Quantities, Units, and Symbols. Journal of Chemical Education, 99(9), 3170-3176.
DOI:10.1021/acs.jchemed.2c00482

García-Ortega, H., Lhardy, C., Gracia-Mora, J., Marín-Becerra, A., Reina, M.* & Reina, A.* (2022). MET-Organic: A Multilevel Card Game to Promote the Learning of Organic Chemistry Nomenclature. Journal of Chemical Education, 99(5), 1948-1956.
DOI:10.1021/acs.jchemed.2c00068

Reina, M., Talavera-Contreras, L. G., Figueroa-DePaz, Y., Ruiz-Azuara, L. & Hernández-Ayala, L. F.* (2022). Casiopeinas® as SARS-CoV-2 main protease (Mpro) inhibitors: a combined DFT, molecular docking and ONIOM approach. New Journal of Chemistry, 46(26), 12500-12511.
DOI:10.1039/d2nj01480g

Reina, A.*, García-Ortega, H., Gracia-Mora, J., Marín-Becerra, A., & Reina, M.* (2022). Compounds and Molecules: Learning How to Distinguish Them through an Educational Game. Journal of Chemical Education, 99(3), 1266–1271.
DOI:10.1021/acs.jchemed.1c00975

Elhoudi, M., Oukhrib, R., A. Celaya, C., G. Araiza, D., Abdellaoui, Y., Barra, I., Brahmi, Y., Bourzi, H., Reina, M., Albourine, A., & Abou Oualid, H.* (2022). Comparison of green bio-based cerium/alginate vs. copper/alginate beads: a study of vibrational and thermal properties using experimental and theoretical methods. Journal of Molecular Modeling, 28(2).
DOI:10.1007/s00894-022-05028-8

Abdellaoui, Y.*, Celaya, C. A., Elhoudi, M., Boualou, R., Agalit, H., Reina, M., Gamero-Melo P., & Oualid, H. A.* (2022). Understanding of vibrational and thermal behavior of bio-based doped alginate@nickel cross-linked beads: A combined experimental and theoretical study. Journal of Molecular Structure, 1249.
DOI:10.1016/j.molstruc.2021.131524

Hernández‐Ayala, L. F., Novoa‐Ramírez, C. S., Reina, M., & Ruiz‐Azuara, L.* (2021). Mixed Ru^II Complexes Containing Diseleno‐Ligand and α,β‐Diketones Donors with Anticancer Activity. Synthesis, Characterization, Electrochemical and DFT Studies. European Journal of Inorganic Chemistry, 2021(46), 4856–4867.
DOI:10.1002/ejic.202100756

Reina, A.*, García-Ortega, H., Hernández-Ayala, L. F., Guerrero-Ríos, I., Gracia-Mora, J., & Reina, M.* (2021). CADMIO: Creating and Curating an Educational YouTube Channel with Chemistry Videos. Journal of Chemical Education, 98, 3593-3599. (IF=2.979, ISSN: 1938-1328, Q2).
DOI:10.1021/acs.jchemed.1c00794

Celaya, C. A.*, Boujnah, M., Reina, M., Muñiz, J., & Sansores, L. E. (2021). Theoretical study of Au₂₀/WS₂ composite material as a potential candidate for the capture of XO (X=C, N, S) gases. Computational Condensed Matter, 28, e00580. (IF=1.79, ISSN: 2352-2143, Q3).
DOI:10.1016/j.cocom.2021.e00580

Reina, M., Guzmán-López, E. G., Romeo, I., Marino, T., Russo, N., & Galano, A.* (2021). Computationally designed p-coumaric acid analogs: searching for neuroprotective antioxidants. New Journal of Chemistry, 45(32), 14369-14380. (IF=3.288, ISSN: 1369-9261, Q2).
DOI:10.1039/d1nj01235e

Reina, M.*, Celaya, C. A., & Muñiz, J. (2021). C₃₆ and C₃₅E (E=N and B) Fullerenes as Potential Nanovehicles for Neuroprotective Drugs: A Comparative DFT Study. ChemistrySelect, 6(19), 4844-4858. (IF=1.811, ISSN: 2365-6549, Q2).
DOI:10.1002/slct.202101227

Celaya, C. A., Hernández-Ayala, L. F., Buendía Zamudio, F., Vargas, J. A., & Reina, M.* (2021). Adsorption of melphalan anticancer drug on C₂₄, B₁₂N₁₂, B₁₂C₆N₆, B₆C₁₂N₁₂ and B₆C₆N₁₂ nanocages: A comparative DFT study. Journal of Molecular Liquids, 329, 115528. (IF=6.125, ISSN 0167-7322, Q1).
DOI:10.1016/j.molliq.2021.115528

Reina, M.*, & Reina, A.* (2021). Seguridad en el laboratorio: Una aproximación práctica. Educación Química, 32(5), 45-58. (IF=0.4, ISSN: 0187-893X, Q4).
DOI:10.22201/fq.18708404e.2021.5.78772

Castañeda-Arriaga, R., Pérez-González, A., Reina, M., & Galano, A.* (2020). Computer-designed melatonin derivatives: potent peroxyl radical scavengers with no pro-oxidant behavior. Theoretical Chemistry Accounts, 139(8), 1-12. (IF=1.598, ISSN 1432-881X, Q3).
DOI:10.1007/s00214-020-02641-9

Hernández-Ayala, L. F., Toledano-Magaña, Y., Ortiz-Frade, L., Flores-Alamo, M., Galindo-Murillo, R., Reina, M., García-Ramos, J. C., & Ruiz-Azuara, L.* (2020). Heteroleptic Ni^II complexes: Synthesis, structural characterization, computational studies and amoebicidal activity evaluation. Journal of Inorganic Biochemistry, 206. (IF=3.224, ISSN 0162-0134, Q2).
DOI:10.1016/j.jinorgbio.2020.111043

Hernández-Ayala, L. F., Reina, M., Flores-Alamo, M., & Ruiz-Azuara, L.* (2020). Pyridyl based mono and di-selenoethers: Synthesis, characterization and DFT study. Journal of Molecular Structure, 1205. (IF=2.120, ISSN: 0022-2860, Q3).
DOI:10.1016/j.molstruc.2019.127449

Reina, M., Hernández-Ayala, L. F., Bravo-Gómez, M. E., Gómez, V., & Ruiz-Azuara, L.* (2021). Second generation of Casiopeinas®: A joint experimental and theoretical study. Inorganica Chimica Acta, 517, 120201. (IF=2.545, ISSN 1873-3255, Q3).
DOI:10.1016/j.ica.2020.120201

Cedillo-Gutiérrez, E. L., Hernández-Ayala, L. F., Torres-Gutiérrez, C., Reina, M., Flores-Alamo, M., Carrero, J. C., Ugalde-Saldívar, V. M.*, & Ruiz-Azuara, L.* (2020). Identification of descriptors for structure-activity relationship in ruthenium (II) mixed compounds with antiparasitic activity. European Journal of Medicinal Chemistry, 189. (IF=4.833, ISSN 0223-5234, Q1).
DOI:10.1016/j.ejmech.2020.112084

Reina, M.*, Celaya, C. A., & Muñiz, J. (2019). C_n and C_n-1B Fullerenes as Potential Nanovehicles for Piribedil Neuroprotective Drug (n=20, 36 and 60). ChemistrySelect, 4(47), 13916-13925. (IF=1.811, ISSN: 2365-6549, Q2).
DOI:10.1002/slct.201904211

Reina, M.*, Wallace, W. T., Wyrwas, R. B., Whetten, R. L., & Martínez, A. (2019). Binding of multiple SO₂ molecules to small gold cluster anions (Au_N⁻, Au_NOH⁻, N = 1-8). International Journal of Quantum Chemistry, 119(19). (IF=2.568, ISSN: 1097-461X, Q1).
DOI:10.1002/qua.25987

Celaya, C. A.*, Reina, M., Muñiz, J., & Sansores, L. E. (2018). Are Small Quasi-Fullerenes Capable of Encapsulating Trimetallic Nitrides A_3-xB_xN (A, B =Sc, Y, La, x=0-3)? A DFT Study. ChemistrySelect, 3(24), 6791-6801. (IF=1.716, ISSN: 2365-6549, Q2).
DOI:10.1002/slct.201801038

Castaneda-Arriaga, R., Pérez-González, A., Reina, M., Alvarez-Idaboy, J. R., & Galano, A.* (2018). Comprehensive Investigation of the Antioxidant and Pro-oxidant Effects of Phenolic Compounds: A Double-Edged Sword in the Context of Oxidative Stress? Journal of Physical Chemistry B, 122(23), 6198-6214. (IF=3.177, ISSN:1520-6106, Q1).
DOI:10.1021/acs.jpcb.8b03500

Reina, M.*, & Martínez, A. (2018). Cu, Ag and Au clusters as air pollutants hunters. Computational and Theoretical Chemistry, 1130, 15-23. (IF=1.549, ISSN:2210-271X, Q3).
DOI:10.1016/j.comptc.2018.03.004

Reina, M., & Martínez, A.* (2018). A new free radical scavenging cascade involving melatonin and three of its metabolites (3OHM, AFMK and AMK). Computational and Theoretical Chemistry, 1123, 111-118. (IF=1.549, ISSN:2210-271X, Q3).
DOI:10.1016/j.comptc.2017.11.017

Reina, M., Castañeda-Arriaga, R., Perez-Gonzalez, A., Guzman-Lopez, E. G., Tan, D. X., Reiter, R. J., & Galano, A. (2018). A Computer-Assisted Systematic Search for Melatonin Derivatives with High Potential as Antioxidants. Melatonin Research, 1(1), 27–58.
DOI:10.32794/mr11250003

Reina, M., & Martínez, A.* (2017). Free radicals interacting with Cu, Ag and Au clusters. Computational and Theoretical Chemistry, 1120, 24-33. (IF=1.549, ISSN:2210-271X, Q3).
DOI:10.1016/j.comptc.2017.09.023

Reina, M., Martinez, A., Cammarano, C., Leroi, C., Hulea, V., & Mineva, T.* (2017). Conversion of Methyl Mercaptan to Hydrocarbons over H-ZSM-5 Zeolite: DFT/BOMD Study. ACS Omega, 2(8), 4647-4656. (IF=2.584, ISSN:2470-1343, Q1).
DOI:10.1021/acsomega.7b00756

Reina, M.*, & Martínez, A. (2017). Silybin interacting with Cu₄, Ag₄ and Au₄ clusters: Do these constitute antioxidant materials? Computational and Theoretical Chemistry, 1112, 1-9. (IF=1.549, ISSN:2210-271X, Q3).
DOI:10.1016/j.comptc.2017.03.034

Martínez, A.*, & Reina, M. (2017). Copper or free radical scavenger? Computational and Theoretical Chemistry, 1104, 1-11. (IF=1.549, ISSN:2210-271X, Q3).
DOI:10.1016/j.comptc.2017.01.033

Reina, M., & Martínez, A.* (2017). How the presence of metal atoms and clusters can modify the properties of Silybin? A computational prediction. Computational and Theoretical Chemistry, 1099, 174-184. (IF=1.549, ISSN:2210-271X, Q3).
DOI:10.1016/j.comptc.2016.11.030

Reina, M., & Martínez, A.* (2016). Is Silybin the Best Free Radical Scavenger Compound in Silymarin? Journal of Physical Chemistry B, 120(20), 4568-4578. (IF=3.177, ISSN:1520-6106, Q1).
DOI:10.1021/acs.jpcb.6b02807

González-Ríos, J. A., Pedraza-Chaverri, J., Medina-Campos, O. N., Reina, M., Romero, Y., Martínez, A., López-Munguía, A., & Castillo, E.* (2016). The influence of the carbohydrate anomeric linkage on the free radical scavenging activity of enzymatically-synthesized phenolic glycosides. RSC Advances, 6(51), 45452-45461. 45461 (IF=3.108, ISSN:2046-2069, Q1).
DOI:10.1039/c6ra06572d

Reina, M., & Martínez, A.* (2015). Silybin and 2,3-Dehydrosilybin Flavonolignans as Free Radical Scavengers. Journal of Physical Chemistry B, 119(35), 11597-11606. (IF=3.177, ISSN:1520-6106, Q1).
DOI:10.1021/acs.jpcb.5b06448