(Foto) 15 Nombre del Tutor MARÍA INÉS NICOLÁS VÁZQUEZ Teléfono 56232024 Correo electrónico [email protected] Departamento Ciencias Químicas y 56232056 Líneas de Investigación • Química cuántica-química computacional. Publicaciones 17. Virtual and in Vitro Screenings Reveal a Potential Pharmacophore that Avoids the Pathological Aggregation of Aβ1-42. Maricarmen Hernández Rodríguez, José Correa-Basurto, María Inés Nicolás-Vázquez, René Miranda Ruvalcaba, Claudia G Benítez-Cardoza, Aldo Arturo Reséndiz Albor, Juan V MéndezMéndez, Martha Cecilia Rosales Hernández. PLOS ONE. 2015, 1-22. DOI:10.1371/journal.pone.0130263 16. Orlistat Interaction with Sibutramine and Carnitine. A Physicochemical and Theoretical Study. Inés Nicolás-Vázquez, Jaime Hinojosa Torres, Julián Cruz Borbolla, René Miranda Ruvalcaba, Juan Manuel Aceves-Hernández Journal of Molecular Structure. 2014, 1062, 1–12. ISSN: 0022-2860 http://dx.doi.org/10.1016/j.molstruc.2013.12.072. 15. QSAR, docking, dynamic simulation and quantum mechanics studies to explore the recognition properties of cholinesterase binding sites. Correa-Basurto J, Bello M, Rosales-Hernández MC, Hernández-Rodríguez M, Nicolás-Vázquez I, Rojo-Domínguez A, Trujillo-Ferrara JG, Miranda R, Flores-Sandoval CA Chemico-Biological Interactions, 2014, 209, 1–13. ISSN: 0009-2797 http://dx.doi.org/10.1016/j.cbi.2013.12.001 14. Synthesis of Cycloveratrylene Macrocycles and Benzyl Oligomers Catalysed by Bentonite under Microwave/Infrared and Solvent-Free Conditions. René Miranda, Omar Valencia-Vázquez, Carlos Abel Maya-Vega, Inés Nicolás-Vázquez, Yolanda Marina Vargas-Rodriguez, José Antonio Morales-Serna, Eréndira García-Ríos, Manuel Salmón. Molecules 2013, 18, 12820-12844. DOI:10.3390/molecules181012820 13. DFT and docking studies of rhodostreptomycins A and B and their interactions with solvated/nonsolvated Mg2+ and Ca2+ ions. Christiaan Jardínez, Ines Nicolás-Vázquez, Julián Cruz-Borbolla, Cesar A. González-Ramírez, Miguel Cepeda, José Correa-Basurto, Thangarasu Pandiyan, Rene Miranda. Journal of Molecular Modeling, 2013, 19:4823–4836. DOI: 10.1007/s00894-013-1952-3 12. A Green Approach to the Production of Hybrid Diindolylmethane-Phenylboronic Acids via a 3MCR: Promising Antineoplasic Molecules. Mónica Zarco Juárez, Joel Omar Martínez, Olivia Noguez Córdova, María Inés Nicolás Vázquez, Teresa Ramírez-Apan, Javier Pérez Flores, René Miranda Ruvalcaba, Gabriel Arturo Arroyo Razo. Journal of Chemistry, 2013, 1-9. http://dx.doi.org/10.1155/2013/531208 11. Acid-Catalyzed Nucleophilic Additions to Carbonyl Groups: Is the Accepted Mechanism the Rule or an Exception?. Lino Reyes, Inés Nicolás-Vázquez, Nelaine Mora-Diez, J. Raúl Alvarez-Idaboy. Journal Organic Chemistry, 2013, 78, 2327−2335. DOI: 10.1021/jo302390r 10. Sibutramine characterization and solubility, a theoretical study. Juan M. Aceves-Hernández, Inés Nicolás Vázquez, Jaime Hinojosa-Torres, Guillermo Penieres Carrillo, Gabriel Arroyo Razo, René Miranda Ruvalcaba. Journal of Molecular Structure 2013, 1038, 163–169. http://dx.doi.org/10.1016/j.molstruc.2013.01.041 9. A novel azocompound, 2-(4-phenylazoaniline)-4-phenylphenol: spectroscopic and quantumchemical approach. Inés Nicolás-Vázquez, Guadalupe Pérez-Caballero, Annia Galano Jiménez, Georgina Guzmán Rangel, René Miranda Ruvalcaba. International Journal of Quantum Chemistry 2013, 113, 8, 1107–1115. DOI: 10.1002/qua.24171 8. Solubility of simvastatin. A Theoretical and experimental study. Juan M. Aceves-Hernández, Jaime Hinojosa-Torres, Inés Nicolás-Vázquez, Rene Miranda Ruvalcaba, Rosa María Lima García. Journal of Molecular Structure 2011, 995, 41–50. http://dx.doi.org/10.1016/j.molstruc.2011.03.048 7. Effects of Bentonite on p-Methoxybenzyl Acetate: A Theoretical Model for Oligomerization via an Electrophilic-Substitution Mechanism. Manuel Salmón, René Miranda, Inés Nicolás-Vázquez, Yolanda Marina Vargas-Rodríguez, Julián Cruz-Borbolla, María Isabel Medrano, José Antonio Morales-Serna. Molecules 2011, 16, 1761-1775. (ISSN 1420-3049) doi:10.3390/molecules16021761 6. Role of lactone ring on structural, electronic and reactivity properties of aflatoxin B1: A theoretical study. Inés Nicolás-Vázquez, Abraham Méndez-Albores, Ernesto Moreno-Martínez, René Miranda, Miguel Castro Archives of Environmental Contamination and Toxicology.2010, 59, 393-406. (ISSN: 1432-0703, electronic version) DOI 10.1007/s00244-010-9501-x 5. Green Synthesis of Bis-Biginelli esters, with vasodilatory effects, their mass spectrometric and physical studies. O. Noguéz, A. García, C. Ibarra, A. Cabrera, J. M. Aceves, I. Nicolás, R. Miranda. Trends in Organic Chemistry, 2009, 13, 75-82. http://www.researchtrends.net/tia/abstract.asp?in=0&vn=13&tid=14&aid=2969&pub=2009&type=3 4. Theoretical Characterization of Three 2,2-Diphenyl-1,3,2-oxazaborolidin-5-ones: Molecules with Fungicide Activities. Martha Vilchis, Benjamín Velasco, Guillermo Penieres, Tonatiuh Cruz, René Miranda, Inés Nicolás. Molbank 2009 (2), M600. doi:10.3390/M600 3. Indomethacin Polymorphs: Experimental and Conformational Analysis. J.M. Aceves-Hernández, I. Nicolás-Vázquez, F.J. Aceves, J. Hinojosa-Torres, M. Paz, V.M. Castaño. Journal of Pharmaceutical Sciences 2009, 98(7), 2448-2463. DOI: 10.1002/jps.21626 2. Mass Spectrometry/Mass Spectrometry Study on the Degradation of B-aflatoxins in Maize with Aqueous Citric Acid. Méndez-Albores A., Nicolás-Vázquez I., Miranda Ruvalcaba, Moreno-Martínez, E. American Journal of Agricultural and Biological Science. 2008, 3(2), 482-489. www.thescipub.com/pdf/10.3844/ajabssp.2008.482.489 1. Theoretical Study of Intramolecular, CHsX (X) N, O, Cl), Hydrogen Bonds in Thiazole Derivatives. Miguel Castro, Inés Nicolás-Vázquez, Jesús I. Zavala, F. Sánchez-Viesca, Martha Berros. Journal of Chemical Theory and Computation 2007, 3, 681-688 DOI: 10.1021/ct600336r Publicaciones: Co-autor en Libro 2. Libro: Manual de prácticas de fisicoquímica computacional. Modelado Fisicoquímico. Lucio Antonio Reyes Chumacero, Lino Joel Reyes Trejo, María Inés Nicolás Vázquez, Juan R. Álvarez Idaboy. Editado por la Facultad de Química-UNAM. 2011. pp 95, ISBN 978-607-02-29206. 1. Libro: Manual de prácticas de química orgánica computacional. Lino Joel Reyes Trejo, Lucio Antonio Reyes Chumacero, María Inés Nicolás Vázquez, Juan R. Álvarez Idaboy. Editado por la Facultad de Química-UNAM. ISBN 978-607-02-2333-4, 2011. p 55 Publicaciones: Co-autor en capitulo en libro 1. Libro: Química Verde Experimental: Capítulo: Introducción a la química general verde. Rene Miranda Ruvalcaba, José Guillermo Penieres Carrillo, Adolfo Obaya Valdivia, Benjamín Velasco Bejarano, Agustín Palma de la Cruz, Bernardo Frontana Uribe, Maria lnés Nicolás Vázquez, Yolanda Marina Vargas Rodríguez, Joel Omar Martínez, Osnieski Martín Hernández, Laura Bertha Reyes Sánchez, Mercedes Guadalupe Llano Lomas, Maria Antonia Dosal Gómez, Gabriel Arturo Arroyo Razo, Maria Olivia Noguez Córdova, María Yolanda Ríos Gómez, Marina Lucia Morales Galicia, Editado por el comité editorial de la FES-C-UNAM, febrero del 2011. p 251 ISBN:978-607-02-2096-8 ________________________________________________________________ Para más información consulte: http://www.cuautitlan.unam.mx/posgrado/maestria_ciencias_quimicas.html http://www.cuautitlan.unam.mx/posgrado/doctorado_ciencias_quimicas.html