Juvencio Robles, Ph.D. - Publications

Affiliations: 
Pharmacy Universidad de Guanajuato, Guanajuato, Guanajuato, México 
Area:
Theoretical and computational chemistry

39 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Díaz-Cervantes E, Robles J, Solà M, Swart M. The peptide bond rupture mechanism in the serine proteases: an study based on sequential scale models. Physical Chemistry Chemical Physics : Pccp. 25: 8043-8049. PMID 36876585 DOI: 10.1039/d2cp04872h  0.707
2019 Villaseñor-Granados T, Díaz-Cervantes E, Soto-Arredondo KJ, Martínez-Alfaro M, Robles J, García-Revilla MA. Binding of Pb-Melatonin and Pb-(Melatonin-metabolites) complexes with DMT1 and ZIP8: implications for lead detoxification. Daru : Journal of Faculty of Pharmacy, Tehran University of Medical Sciences. PMID 30850959 DOI: 10.1007/s40199-019-00256-5  0.709
2019 Díaz-Cervantes E, García-Revilla MA, Soto-Arredondo K, Villaseñor-Granados T, Martínez-Alfaro M, Robles J. Computational study of metal complexes formed with EDTA, melatonin, and its main metabolites: implications in lead intoxication and clues to a plausible alternative treatment. Journal of Molecular Modeling. 25: 18. PMID 30610389 DOI: 10.1007/s00894-018-3898-y  0.716
2019 Rodríguez-Jiménez JA, Díaz-Cervantes E, Aguilera-Granja F, Robles J. Computational study of Ga n As m ( m + n = 2–9) clusters using DFT calculations Journal of Nanoparticle Research. 21: 219. DOI: 10.1007/S11051-019-4664-5  0.327
2018 Soto-Arredondo KJ, Robles J, Díaz-Cervantes E, Ruiz-Ramírez C, García-Revilla MA, Wrobel K, Wrobel K, Díaz-Muñoz M, Méndez I, Flores A, Acevedo-Aguilar FJ, Martínez-Alfaro M. Effects of lead and lead-melatonin exposure on protein and gene expression of metal transporters, proteins and the copper/zinc ratio in rats. Biometals : An International Journal On the Role of Metal Ions in Biology, Biochemistry, and Medicine. PMID 30006888 DOI: 10.1007/S10534-018-0127-1  0.699
2018 Bahena L, Cervantes C, Soto-Arredondo KJ, Martínez-Alfaro M, Zarco N, García-Revilla MA, Alcaraz-Contreras Y, Palma Tirado L, Vázquez MA, Robles J. In silico, Synthesis and Biological Investigations of Pyrrolo[3,4-C]Pyrrole Hydroxamic Acid Derivatives as Potential Anticancer Agents Journal of the Mexican Chemical Society. 61. DOI: 10.29356/Jmcs.V61I4.460  0.318
2016 Rentería-Gómez A, Islas-Jácome A, Díaz-Cervantes E, Villaseñor-Granados T, Robles J, Gámez-Montaño R. Synthesis of azepino[4,5-b]indol-4-ones via MCR/free radical cyclization and in vitro-in silico studies as 5-Ht6R ligands. Bioorganic & Medicinal Chemistry Letters. PMID 26996373 DOI: 10.1016/j.bmcl.2016.03.036  0.731
2016 Guzmán-Ramírez G, Robles J, Aguilera-Granja F. Structure and electronic behavior of 26-atom Cu-Ag and Cu-Au nanoalloys European Physical Journal D. 70: 194. DOI: 10.1140/Epjd/E2016-70021-1  0.31
2016 Mejía-Mazariegos L, Robles J, García-Revilla MA. Tautomerism in some pyrimidine nucleoside analogues used in the treatment of cancer: an ab initio study Theoretical Chemistry Accounts. 135: 233. DOI: 10.1007/S00214-016-1985-7  0.323
2016 Renteria-Gomez A, Islas-Jacome A, Diaz-Cervantes E, Villasenor-Granados T, Robles J, Gamez-Montano R. ChemInform Abstract: Synthesis of Azepino[4,5-b]indol-4-ones via MCR/Free Radical Cyclization and in vitro-in silico Studies as 5-Ht6 R Ligands. Cheminform. 47. DOI: 10.1002/chin.201634171  0.71
2015 Díaz-Cervantes E, Islas-Jácome A, Rentería-Gómez A, Robles J, Gámez-Montaño R. In vitro and in silico evaluation of twelve newly-synthesized 1-acetamide-5-methoxy-2-oxindoles as 5-Ht₇ receptor ligands. Bioorganic & Medicinal Chemistry Letters. 25: 1580-5. PMID 25724826 DOI: 10.1016/J.Bmcl.2015.02.008  0.73
2015 Mujahid M, Yogeeswari P, Sriram D, Basavanag UMV, Díaz-Cervantes E, Córdoba-Bahena L, Robles J, Gonnade RG, Karthikeyan M, Vyas R, Muthukrishnan M. Spirochromone-chalcone conjugates as antitubercular agents: Synthesis, bio evaluation and molecular modeling studies Rsc Advances. 5: 106448-106460. DOI: 10.1039/c5ra21737g  0.699
2015 Díaz-Cervantes E, Islas-Jácome A, Rentería-Gómez A, Robles J, Gámez-Montaño R. In vitro and in silico evaluation of twelve newly-synthesized 1-acetamide-5-methoxy-2-oxindoles as 5-Ht7 receptor ligands Bioorganic and Medicinal Chemistry Letters. 25: 1580-1585. DOI: 10.1016/j.bmcl.2015.02.008  0.702
2013 Díaz-Cervantes E, Poater J, Robles J, Swart M, Solà M. Unraveling the origin of the relative stabilities of group 14 M 2N2 2+ (M, N = C, Si, Ge, Sn, and Pb) isomer clusters Journal of Physical Chemistry A. 117: 10462-10469. PMID 24003994 DOI: 10.1021/Jp406071D  0.712
2013 Gordillo-Cruz RE, Rentería-Gómez A, Islas-Jácome A, Cortes-García CJ, Díaz-Cervantes E, Robles J, Gámez-Montaño R. Synthesis of 3-tetrazolylmethyl-azepino[4,5-b]indol-4-ones in two reaction steps: (Ugi-azide/N-acylation/SN2)/free radical cyclization and docking studies to a 5-Ht(6) model. Organic & Biomolecular Chemistry. 11: 6470-6. PMID 23963327 DOI: 10.1039/c3ob41349g  0.714
2013 Guzmán-Ramírez G, Salvador P, Robles J, Vega A, Aguilera-Granja F. Density functional study of ternary FexCoy Niz (x + y + z = 7) clusters Theoretical Chemistry Accounts. 132: 1-12. DOI: 10.1007/S00214-012-1318-4  0.324
2011 Guzmán-Ramírez G, Robles J, Vega A, Aguilera-Granja F. Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms. Journal of Chemical Physics. 134: 54101. PMID 21303086 DOI: 10.1063/1.3533954  0.311
2010 Guzmán-Ramírez G, Aguilera-Granja F, Robles J. DFT study of the fragmentation channels and electronic properties of Cunν (ν= ±1,0,2; n=3-13) clusters European Physical Journal D. 57: 335-342. DOI: 10.1140/Epjd/E2010-00059-X  0.345
2010 Guzmán-Ramírez G, Aguilera-Granja F, Robles J. DFT and GEGA genetic algorithm optimized structures of Cunν (ν=±1,0,2; n=3-13) clusters European Physical Journal D. 57: 49-60. DOI: 10.1140/Epjd/E2010-00001-4  0.304
2008 Jiménez-Halla JO, Robles J, Solà M. Coordination and haptotropic migration of Cr(CO)3 in polycyclic aromatic hydrocarbons: the effect of the size and the curvature of the substrate. The Journal of Physical Chemistry. A. 112: 1202-13. PMID 18198853 DOI: 10.1021/Jp077553H  0.314
2008 Jiménez-Halla JOC, Robles J, Solà M. Intramolecular Haptotropic Rearrangements of the Tricarbonylchromium Complex in Small Polycyclic Aromatic Hydrocarbons Organometallics. 27: 5230-5240. DOI: 10.1021/Om800505J  0.34
2008 González P, Poater J, Merino G, Heine T, Solà M, Robles J. Chapter 10 Electronic structure and reactivity of aromatic metal clusters Theoretical and Computational Chemistry. 19: 203-218. DOI: 10.1016/S1380-7323(07)80011-2  0.315
2008 Jiménez-Halla JOC, Robles J, Solà M. Coordination of bis(tricarbonylchromium) complexes to small polycyclic aromatic hydrocarbons: Structure, relative stabilities, and bonding Chemical Physics Letters. 465: 181-189. DOI: 10.1016/J.Cplett.2008.10.001  0.359
2007 Guzmán-Ramírez G, Segovia-Ríos A, Sierra-Arellano J, Robles J. Na$_{N}^{+}$ (N l12) clusters fragmentation channels: A conceptual DFT approach Journal of Computational Methods in Sciences and Engineering. 7: 507-519. DOI: 10.3233/Jcm-2007-75-615  0.315
2003 Costas M, Xifra R, Llobet A, Solà M, Robles J, Parella T, Stoeckli-Evans H, Neuburger M. Dinuclear copper(I) complexes with hexaaza macrocyclic dinucleating ligands: structure and dynamic properties. Inorganic Chemistry. 42: 4456-68. PMID 12844320 DOI: 10.1021/Ic0261833  0.318
2003 Acevedo-Chávez R, Robles J, Costas ME. Density functional theory study of the free and cobalt-coordinated allopurinol ligand Journal of Molecular Structure-Theochem. 664: 91-109. DOI: 10.1016/J.Theochem.2003.07.009  0.367
2002 Kapoor P, Pathak A, Kapoor R, Venugopalan P, Corbella M, Rodríguez M, Robles J, Llobet A. Structural, electronic, and magnetic consequences of O-carbonyl vs O-alkoxy ester coordination in new dicopper complexes containing the Cu2(mu-Cl)2 core. Inorganic Chemistry. 41: 6153-60. PMID 12425646 DOI: 10.1021/Ic025568I  0.306
2002 Ni T, Nagesha DK, Robles J, Materer NF, Müssig S, Kotov NA. CdS nanoparticles modified to chalcogen sites: new supramolecular complexes, butterfly bridging, and related optical effects. Journal of the American Chemical Society. 124: 3980-92. PMID 11942837 DOI: 10.1021/Ja017149A  0.301
2001 Mendoza-Huizar LH, Palomar-Pardavé M, Robles J. Quantum chemical study of the electrochemical reduction of the [Co(H2O)6]2+ and [Co(NH3)5(H2O)]2+ ions Electrochimica Acta. 46: 2749-2755. DOI: 10.1016/S0013-4686(01)00504-7  0.321
2000 Robles J, Martín-Polo J, Alvarez-Valtierra L, Hinojosa L, Mendoza-Díaz G. A Theoretical-Experimental Study on the Structure and Activity of Certain Quinolones and the Interaction of Their Cu(II)-Complexes on a DNA Model. Metal-Based Drugs. 7: 301-11. PMID 18475962 DOI: 10.1155/Mbd.2000.301  0.31
2000 Robles J, Martı́nez-Richa A, Villanueva M. Ab initio study of the reactivity and plausible polymerization process of a labdatriene monomer Computational and Theoretical Polymer Science. 10: 473-480. DOI: 10.1016/S1089-3156(99)00051-3  0.337
1998 Robles J, Mayorga O. Properties of silicon-carbon mixed clusters: A systematic abinitio study Nanostructured Materials. 10: 1317-1330. DOI: 10.1016/S0965-9773(99)00011-2  0.34
1996 Gázquez JL, Robles J. On the conjoint gradient correction to the Hartree—Fock kinetic and exchange energy density functionals International Journal of Quantum Chemistry. 57: 3-6. DOI: 10.1002/(Sici)1097-461X(1996)57:1<3::Aid-Qua1>3.0.Co;2-1  0.576
1993 Garza J, Robles J. Density-functional-theory softness kernel Physical Review A. 47: 2680-2685. DOI: 10.1103/Physreva.47.2680  0.31
1993 Robles J, Martínez A, Vela A. An ab-initio electronic structure study of the chemisorption of small molecules in aluminum cluster ions Nanostructured Materials. 2: 157-162. DOI: 10.1016/0965-9773(93)90020-C  0.326
1988 Cedillo A, Robles J, Gãzquez JL. New nonlocal exchange-energy functional from a kinetic-energy-density Padé-approximant model Physical Review A. 38: 1697-1701. DOI: 10.1103/Physreva.38.1697  0.74
1986 Cedillo A, Ortiz E, Gázquez JL, Robles J. An exchange energy functional based on the Dirac and the Fermi–Amaldi approximations The Journal of Chemical Physics. 85: 7188-7192. DOI: 10.1063/1.451354  0.741
1982 Gázquez JL, Robles J. On the atomic kinetic energy functionals with full Weizsacker correction Journal of Chemical Physics. 76: 1467-1472. DOI: 10.1063/1.443107  0.625
1981 Gázquez JL, Robles J. Local electron–electron energy density functionals Journal of Chemical Physics. 74: 5927-5928. DOI: 10.1063/1.440913  0.627
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