Publications 2018 – 2022

91. Tracking the Role of trans–Ligands on Ruthenium–NO Bond Lability: A Computational Insight, Orenha, R. P.; Silva, G. C. G.; Batista, A. P. L.; de Oliveira-Filho, A. G. S.; Morgon, N. H.; Silva, V. B.; Furtado, S. S.P.; Caramori, G. F.; Piotrowski,M. J.; Parreira, R. L. T.,  New J. Chem. 2020, 44, 11448-11456

90. Synthesis, Characterization and Photoinduced CO-Release by Manganese(I) Complexes,  Amorim, A. L.; Guerreiro, A.; Glitz, V. A.; Coimbra, D. F.; Bortoluzzi, A. J.; Caramori, G. F.; Braga, A. L.;Neves, A.; Bernardes, G. J. L.; Peralta, R. A. New J. Chem202044, 10892-10901.

89. Platinum-triggered Bond-cleavage of Pentynoyl amide and N-propargyl handles for Drug-Activation,  Oliveira, B. L.; Stenton, B. J.; Unnikrishnan, V. B.; de Almeida, C. R.; Conde, J.; Negrão, M.; Schneider, F. S. S.; Cordeiro, C.; Ferreira, M. G.; Caramori, G. F.; Domingos, J. B.; Fior, R.; Bernardes, G. J. L. J. Am. Chem. Soc.  2020, 142, 10869-10880.

88. Coordination among Bond Formation/Cleavage in a Bifunctional-Catalyzed Fast Amide Hydrolysis: Evidence for an Optimized Intramolecular N-Protonation Event, Scorsin, L.; Affeldt, R. F.; Oliveira, B. S.; Silveira, E. V.; Ferraz, M. S.; de Souza, F. P. S.; Caramori, G. F.; Menger, F. M.; Souza, B. S.; Nome, F. J. Org. Chem.  2020, 85, 4663-4671.

87. Solvatochromism of new substituted 4-[(E)-(4-nitrophenyl)diazenyl]phenolate dyes, de Melo, C. E. A.; Nicoleti, C. R.; Nandi, L. G.; Schneider, F. S. S.; Oliboni, R. S.; Caramori, G. F.; Machado, V. G. J. Mol. Liq.  2020, 301, 112330.

86. The anionic recognition mechanism based on polyol and boronic acid receptors, Orenha, R. P.; Cintra, C. H.; Peixoto, L. B.; da Silva, E. H.; Caramori, G. F.; Ortolan, A. O.; Piotrowski, M. J.; Parreira, R. L. T. New J. Chem  2020, 44, 5564-5571.

85. Shedding light on the bonding situation of triangular and square heterometallic clusters: computational insight, Coimbra, D. F.; Ortolan, A. O.; Orenha, R. P.; da Silva, V. B.; Parreira, R. L. T.; Caramori, G. F. New J. Chem  2020, 44, 5079-5087.

84. How does the acidic milieu interfere in the capability of ruthenium nitrosyl complexes to release nitric oxide?, Orenha, R. P.; Morgon, N. H.,; Contreras-García, J.; Silva, G. C. G.; Nagurniak, G. R.; Piotrowski, M. J.; Caramori, G. F.; Muñoz-Castro, A.; Parreira, R. L. T. New J. Chem  2020, 44, 773-779.

83. A ruthenium nitrosyl cyclam complex with appended anthracenyl fluorophore, G. R. G. S.; Boffo, E. F.; Jr. Toledo, J. C.; Andriani, K. F.; Caramori, G. F.; Gomes, A. J.; Doro, F. G. Polyhedron  2019, 173, 114113.

82. ESI‐QTof‐MS characterization of hirsutinolide and glaucolide sesquiterpene lactones: Fragmentation mechanisms and differentiation based on Na+/H+ adducts interactions in complex mixture, da Silva, L. A. L.; Sandjo, L. P.; Misturini, A.; Caramori, G. F.; Biavatti, M. W. J. Mass. Spectrometry.  2019, 54, 915-932.

81. Understanding the interplay between π–π and cation–π interactions in [janusene–Ag]+ host–guest systems: A Computational Approach, Mucelini, J.; Østrøm, I.; Ortolan, A. O.; Andriani, K. F.; Caramori, G. F.; Parreira, R. L. T.; Laali, K. K. Dalton Trans.  2019, 48, 13281-13292.


80. Tracking the Absence of Anion–π interactions in modified [23](1,3,5)cyclophanes: Insights from Computation, Misturini, A.; Ortolan, A. O.; Caramori, G. F.; Cintra, C. H.;  Parreira, R. L. T. New J. Chem. 2019, 43, 13271-13281.


79. Shedding Light on the Hydrolysis Mechanism of cis, trans-[Ru(dmso)4Cl2] Complexes and Their Interactions with DNA – A Computational Perspective, Andriani, K. F.; Heinzelmann, G.; Caramori, G. F. J. Phys. Chem. B 2019, 123, 457-467. 


78. Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight, Orenha, R. P., Caramori, G. F.; Misturini, A.; Galembeck, S. E. J. Mol. Model. 2019, 25: 11.


77. Mechanism of Palladium(II)-Mediated Uncaging Reactions of Propargylic Substrates, Coelho, S. E.; Schneider, F. S. S.; de Oliveira, D. C.; Tripoli, G. L.; Eberlin, M. N.; Caramori, G. F.; de Souza, B.; Domingos, J. B. ACS Catal. 2019, 9, 3792-3799.


76. A theoretical investigation on the aminolysis of pyromellitic and 1,4,5,8-naphthalenetetracarboxylic dianhydrides, Schneider, F. S. S.; Setiadi, J.; Felisberti, M. I.; Vazquez, P. A. M.; da Conceição, T. F.; Heinzelmann, G.; Caramori, G. F. Comput. Theor. Chem. 2019, 1147, 13-19.


75. Synthesis, characterization and biological evaluation of new manganese metal carbonyl compounds that contain sulfur and selenium ligands as a promising new class of CORMs, Amorin, A. L.; Peterle, M. A.; Guerreiro, A.; Coimbra, D. F.; Heying, R. S.; Caramori, G. F.; Braga, A. L.; Bortoluzzi, A. J.; Neves, A.; Bernardes, G. J. L.; Peralta, R. A. Dalton Trans. 2019, 48, 5574-5584.


74. Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America, Macleod-Carey, D.; Caramori, G. F.; Guajardo-Maturana R.; Paez-Hernandez, D.; Muñoz-Castro, A.; Arratia-Perez R. Int. J. Quantum Chem. 2019, 119, e25777.


73. Evaluation of lignans from Piper cubeba against Schistosoma mansoni adult worms: A combined experimental and theoretical study, Parreira, R. L. T.; Costa, E. S.; Gomes Heleno, V. C.; Magalhães, L. G.; Souza, J. M.; Pauletti, P. M.; Cunha, W. R.; Januário, A. H.; Símaro, G. V.; Bastos, J. K.; Laurentiz, R. S.; Kar, T.; Caramori, G. F.; Kawano, D. F.; Silva, M. L. A. Chem. Biodiversity 2019, 16,  e1800305.


72. On the cation–π capabilities of small all sp2‐carbon host structures. Evaluation of [6.8]3cyclacene from relativistic DFT calculations, Ortolan, A. O.; Charistos, N. D.; Guajardo-Maturana, R.; Ulloa, C. O.; Caramori, G. F.; Parreira, R. L. T.; Muñoz-Castro, A. Int. J. Quantum Chem. 2018, 1-9.


71. Cucurbituril-Mediated  Catalytic Hydrolysis:  A Kinetic and Computational Study with Neutral and Cationic Dioxolanes in CB7,  Scorsin, L.; Roehrs, J. A.; Campedelli, R. R.; Caramori, G. F.; Ortolan, A. O.; Parreira, R. L. T.; Fiedler, H. D.; Acuña, A.; García-Río, L.; Nome, F. ACS Catal. 2018, 12, 12067-12079.


70. In vitro cytotoxicity and structure-activity relationship approaches of ent-kaurenoic acid derivatives against human breast carcinoma cell line, da Costa, R. M.; Bastos, J. K.; Costa, M. C. A.; Ferreira, M. M. C.; Mizuno, C. S.; Caramori, G. F.; Nagurniak, G. R.; Simão, M. R.; dos Santos, R. A.; Veneziani, R. C. S.; Ambrósio, S. R.; Parreira, R. L. T. Phytochemistry 2018156, 214-223.


69. How Do Secondary Phosphine Oxides Interact with Silver Nanoclusters? Insights from Computation, Schneider, F. S. S.; Segala, M.; Caramori, G. F.; da Silva, E. H.; Parreira, R. L. T.; Schrekker, H. S.; van Leeuwen, P. W. N. M. J. Phys. Chem. C. 2018122 (37),  21449–21461.


68. Binding affinity studies of 1,2,3-triazole copper(II) complexes to human serum albumin, De Paula, Q. A.; Joly, J. P.; Selmeczi, K.; Fonseca, D. E. P.; Caramori, G. F.; Farrell, N.; Ferreira, A. M. D. C. J. Coord. Chem. 2018,  71, 1894-1909.


67. Polylactic acid, maleic anhydride and dicumyl peroxide: NMR study of the free-radical melt reaction product, Gross, I. P.; Schneider, F. S. S.; Caro, M. S. B.; da Conceição, T. F.; Caramori, G. F.; Pires, A. T. N. Polym. Degrad. Stab. 2018155, 1-8.


66. Anion Recognition by Organometallic Calixarenes: Analysis from Relativistic DFT Calculations,  Ortolan, A. O.; Østrøm, I.; Caramori, G. F.; Parreira, R. L. T.; Muñoz-Castro, A.; Bickelhaupt, F. M.  Organometallics 2018, 37 (13), 2167-2176.


65. Helicenes as Molecular Tweezers in the Formation of Cation−π Complexes. Bonding and Circular Dichroism Properties from Relativistic DFT Calculations, Ortolan, A. O.; Caramori, G. F.; Parreira, R. L. T.; Muñoz-Castro, A. Chem.Phys.Chem. 2018, 19, 2321-2330.


64. Reverse solvatochromism of imine dyes comprised of 5‐nitrofuran‐2‐yl or 5‐nitrothiophen‐2‐yl as electron acceptor and phenolate as electron donor, Melo, C. E. A.; Nicoleti, C. R.; Rezende, M. C.; Bortoluzzi, A. J.; Heying, R. S.; Oliboni, R. S.; Caramori, G. F.; Machado, V. G. Chem. Eur. J. 2018, 24, 9364-9376.


63. The Quest for Insight into Ultra Short CH…π Proximities in Molecular “Iron Maidens”, Østrøm, I.; Ortolan, A. O.; Schneider, F. S. S.; Caramori, G. F.; Parreira, R. L. T. J. Org. Chem. 2018, 83 (9), 5114-5122.


62. Tuning Heterocalixarenes to Improve Their Anion Recognition: A Computational Approach, Ortolan, A. O.; Østrøm, I.; Caramori, G. F.; Parreira, R. L. T.; Silva, E. H.; Bickelhaupt, F. M.; J. Phys. Chem. A2018122 (12), 3328–3336.


61. Bond Analysis in Dihalogen–Halide and Dihalogen–Dimethylchalcogenide Systems, Schneider, F. S. S.; Caramori, G. F.; Parreira, R. L. T.; Lippolis, V.; Arca, M.; Ciancaleoni, G. Eur. J. Inorg. Chem. 2018, 1007-1015.


60. The ability of Ex2Box4+ to interact with guests containing π‐electron‐rich and π‐electron‐poor moieties, Nagurniak, G. R.; Caramori, G. F.; Muñoz-Castro, A.; Parreira, R. L. T.; Silva, E. H. Int. J. Quantum Chem. 2018, 118e25607.

Publications 2013 – 2017


59. How the Electron-Deficient Cavity of Heterocalixarenes Recognizes Anions. Insights from Computation, Ortolan, A. O.; Caramori, G. F.; Bickelhaupt, F. M.; Parreira, R. L. T.; Muñoz-Castro, A.; Kar, T. Phys. Chem. Chem. Phys. 2017, 19, 24696-24705

58. Metal-Ligand Bonding Situation in Ruthenophanes Containing Multibridged Cyclophanes, Galembeck, S. E.; Caramori, G. F.; Misturini, A.; Garcia, L. C.; Orenha, R. P. Organometallics2017363465–3470


57. In vivo and in silico anti-inflammatory mechanism of action of the semisynthetic (-)-cubebin derivatives (-)-honokinin and (-)-O-benzylcubebin, Lima, T. C.; Lucarini, R.; Volpe, A. C.; De Andrade, C. Q.; Souza, A. M.; Pauletti, P. M.; Januario, A. H.; Simaro, G. V.; Bastos, J. K.; Cunha, W. R.; Borges, A.; Laurentiz, R. S.; Conforti. V. A.; Parreira, R. L. T.; Borges, C. H.; Caramori, G. F.; Andriani, K. F. Bioorg. Med. Chem. Lett. 2017, 27, 176-179


56. Metal-Ligand Bonding situation in Ruthenophanes containing i,j-xylylene-linked-bis(NHC)cyclophane Ligands, Ortolan, A. O.; Caramori, G. F.; Garcia, L. C.; Parreira, R. L. T.; Bento, M, V. B. J. Organomet. Chem. 2017830, 100-108


55. Solvation Enhances the Distinction between Carboxylated Armchair and Zigzag Single-wall Carbon Nanotubes (SWNT-COOH), Kar, T.; Adhikari, U.; Scheiner, S.; Roy, A. K.; Parreira, R. L. T.; Bergamo, P. A. S.; Caramori, G. F.; Schneider, F.S. S. J. Phys. Chem. C20171219516-9527


54. Electronic Properties and Metal-ligand Bonding Situation in Eu(III) Complexes Containing Tris(pyrazolyl)borate and Phenantroline Ligands, Parreira, R. l. T.; Nassar, E. J.; Silva, E. H.; Rocha, L. A.; Bergamo, P. A. S.; Ferreira, C. M. A.; Kar, T.; Fonseca, D. E. P; Coimbra, D. F.; Caramori, G. F. J. Luminescence 2017182137-145


53. Removal of the emerging contaminant bisphenol A by an ureasil–PEO hybrid membrane: experimental study and molecular dynamic simulation, de Oliveira, L. K.; Alves, A. L. A.; Barbosa, V.; Parreira, R. L. T.; Banegas, R. S.; Caramori, G. F.; Ciuffi, K. J.; Molina, E. F. Environ Sci Pollut Res 2017, 24, 18421–18433


52. An Evaluation of Electron Donation as a Mechanism of the Stabilization of Chalcogenated-Protected Nanoclusters, Segala, M.; Schneider, F. S. S.; Caramori, G. F.; Parreira, R. L. T. ChemPhysChem 2016, 17, 3102-3111


51. Shedding Light on the Nature of Host-Guest Interactions in PAHs-ExBox4+ Complexes, Nagurniak, G. R.; Caramori, G. F.; Parreira, R. L. T.; Bergamo, P. A. S.; Frenking, G.; Muñoz-Castro, A. J. Phys. Chem. C  2016, 120, 15480-15487


50. Copaifera duckei Oleoresin and Its Main non Volatile Terpenes: In vitro Schistosomicidal Properties, Borges, C.; Cruz, M.; Carneiro, L.; da Silva, J.; Bastos, J.; Tavares, D.; Roges, H.; Rodrigues, V.; Veneziani, R.; Parreira, R. L. T.; Caramori, G. F.; Nagurniak, G.; Magalhães, L.; Ambrósio, S. R. J. J. Chem. Biodiv. 2016131348-1356 


49. Bonding Analysis in Homo- and Hetero-Trihalides Species: A Charge Displacement Study, Ciancaleoni, G.; Arca, M.; Caramori, G. F.; Frenking, G.; Schneider, F. S. S. ; Lippolis, V. Eur. J. Inorg. Chem. 2016, 2016, 3804-3812


48. Transport Properties of Ruthenophanes – A Theoretical Insight, Garcia, L. C.; Caramori, G;. F.; Bergamo, P. A. S.; Parreira, R. L. T. Chem. Phys. 2016, 478, 23-33


47. Polar Order and Symmetry Breaking between Bent-Core and Rodlike Molecular Forms: When 4-Cyanoresorcinol Meets Carbosilane End Group, Westphal, E.; Gallardo, H.; Caramori, G. F.; Sebástian, N.; Tamba, M. G.; Eremin, A.; Kawauchi, S.; Prehm, M.; Tschierske, C. Chem. A Eur. J. 2016, 22, 1-18


46. Hydrazine Decomposition on a Small Platinum Cluster: The Role of N2H5 Intermediate, Pelegrini, M.; Parreira, R. L. T.; Ferrão, L. F. A.; Caramori, G. F.; Ortolan, A. O.; da Silva, E. H.; Roberto-Neto, O.; Rocco, J. A. F. F.; Machado, F. B. C. Theor. Chem. Acc. 2016, 135, 1-12


45. A Ruthenium Polypyridyl Complex with the Antihypertensive Drug Varsatan: Synthesis, Theoretical Calculations, and Interaction Studies with Human Serum Albumin, Oliveira, R. S.; Boffo, E. F.; Reis, F. C. C.; Nikolau, S.; Andriani, K. F.; Caramori, G. F.; Doro, F. G. Polyhedron, 2016, 114, 232-241.


44. The Versatile Ruthenium(II/III) Tetraazamacrocycle complexes and their Nitrosyl Derivatives, Doro, F. G.; Ferreira, K. Q.; da Rocha, Z. N.; Caramori, G. F.; Gomes, A. J.; Tfouni, E. Coord. Chem. Rev. 2016, 306, 652-677


43. Role of the Cation Formal Charge into Cation–π interaction. A Survey Involving the [2.2.2]Paracyclophane Host from Relativistic DFT Calculations, Ortolan, A. O.; Caramori, G. F.; Frenking, G.; Muñoz-Castro, A. New J. Chem. 2015, 39, 9963-9968. 


42. Ruthenium Nitrosyl Complexes Containing Pyridine-functionalized carbenes – A Theoretical Insight, Caramori, G. F.; Ortolan, A. O.; Parreira, R. L. T.; da Silva, E. H. J. Organomet. Chem. 2015, 799-800, 54-60.


41. The influence of L ligands on the {RuNO}6/7 bonding situation in cis-[Ru(NO)(NO2)L1–4]q complexes: a theoretical insight, Andriani, K. F.; Caramori, G. F.; Muñoz-Castro, A.; Doro, F. G. RSC Adv. 2015569057-69066. 


40. Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes, Stock, R.; Nandi, L.; Nicoleti, C.; Schramm, A.; Meller, S.; Heying, R.; Coimbra, D. F.; Andriani, K. F.; Caramori, G. F.; Bortoluzzi, A.; Machado, V. G. J. Org. Chem.  201580, 7971-7983.


39. No Need for a Re-examinaton of the Electrostatic Notation of the H-Bonding, Frenking, G.; Caramori, G. F. Angew. Chem. Int. Ed.  201554, 2596-2599.


38. No Need for a Re-examinaton of the Electrostatic Notation of the H-Bonding, Frenking, G.; Caramori, G. F. Angew. Chem.  2015127, 2632-2635.


37. [2.2.2]Paracyclophane, preference for η6 or η18 coordination mode including Ag(I) and Sn(II): a survey into the cation–π interaction nature through relativistic DFT calculations, Ulloa, C. O.; Ponce-Vargas, M.; Piccoli, R. M.; Caramori, G. F.; Muñoz-Castro, A. RSC Adv.  20155, 7803-7811.


36. Cyclic Trinuclear copper(I), silver(I), and gold(I) complexes: A Theoretical Insight, Caramori, G. F.; Piccoli, R. M.; Segala, M.; Muñoz-Castro, A.; Guajaro-Maturana, R.; Andrada, D. M.; Frenking, G. Dalton Trans. 201544, 377-385.


35. Proton-induced generation of remote N-heterocyclic carbene-Ru complexes, Fukushima, T.; Fukuda, R.; Kobayashi, K.; Caramori, G. F.; Frenking, G.; Ehara, M. Tanaka, K. Chem. Eur. J. 201521, 106-110.


34. Strontium Mono-Chloride – A New Molecule for the Determination of Chlorine Using High-resolution Graphite Furnace, Molecular Absorption Spectrometry and Direct Solid Sample Analysis, Pereira, E. R.; Welz, B.; Lopez, A. H. D.; De Gois, J.; Caramori, G. F.; Borges, D. L. G.; Carasek, E. de Andrade, J. B. Spectrochim. Acta B 2014, 102, 1-6.


33. Ruthenium(II) complexes of N-heterocyclic carbenes derived from imidazolium-linked cyclophanes, Caramori, G.; Garcia, L. C.; Andrada, D. M.; Frenking, G. Dalton Trans. 2014, 43, 14710-14719.


32. Ruthenophanes: Evaluating cation-π interactions in [Ru(η6-C16H12R4)(NH3)3]2+/3+ Complexes. A Computational Insight, Caramori, G. F.; Garcia, L. C.; Andrada, D. M.; Frenking, G. Organometallics 2014, 33, 2301-2312.


31. Ruthenium(II)/4,6-dimethyl-2-mercaptopyrimidine complexes: Synthesis, characterization, X-ray structures and in vitro cytotoxicity activities on cancer cell lines, Mondeli, M. A.; Graminha, A. E.; Corrêa, R. S.; da Silva, M. M.; Carnizelo, A. P.; von Poelhsitz, G.; Ellena, J.; Deflon, V. M.; Caramori, G. F.;Torre, M. H.; Tavares. D. C.; Batista, A. A. Polyhedron 2014, 68, 312-318.

30. Ureasil-Poly(ethylene oxide) Hybrid Matrix for Selective Adsorption and Separation of Dyes from Water, Molina, E.; Parreira, R. L. T.; de Faria, E.; Carvalho, H.; Caramori, G. F.; Coimbra, D. F.; Nassar, E.; Ciuffi, K. Langmuir 2014, 30, 3857-3868.


29. Spectroscopy and Theoretical Studies of Natural Melanin (eumelanin), and its Complexation by Iron(III), Szpoganicz, B.; Caramori, G. F.; et. all. Inorg. Chim. Acta 2014, 67, 986-1001.


28. Ru–NO and Ru–NO2 Bonding Linkage Isomerism in cis-[Ru(NO)(NO)(bpy)2]2+/+ Complexes – A Theoretical Insight, Andriani, K. F.; Caramori, G. F.; Doro, F. G.; Tfouni, E. Dalton Trans. 2014, 43, 8792-8804.


27. The Two Faces of Hydrogen-Bond Strength on Triple AAA-DDD Arrays, Lopez, A. H. D.; Caramori, G. F.; Coimbra, D. F.; Parreira, R. L. T. Chem.Phys.Chem. 2013, 14, 3994-4001.


26. Polyacetylenes from the Leaves of Vernonia Scorpioides (Asteraceae) and Their Antiherpetic Activities, Pollo, L.; Bosi, C.; Leite, A.; Rigotto, C.; Simoes, C.; Fonseca, D. E. P.; Coimbra, D. F.; Caramori, G. F.; Nepel, A.; Campos, F.; Barison, A.; Biavatti, M. Phytochemistry. 2013, 95, 375-383.


25. The Ru-NO Bonding in Nitrosyl-[poly(1-pyrazolyl)borate]ruthenium Complexes – A Theoretical Insight Based on Su-Li EDA, Caramori, G. F.; Kunitz, A. G.; Coimbra, D. F.; Garcia, L. C.; Fonseca, D. E. P. J. Braz. Chem. Soc. 2013, 24, 1487-1496.


24. Investigating the Ritter-type Reaction of α-Methylene-β-hydroxy Esters in Acidic Medium: Evidence for the Intermediacy of an Allylic Carbenium, Sá, M. M.; Ferreira, M.; Caramori, G. F.; Zaramello, L.; Bortoluzzi, A. J.; Faggion Jr. D.; Domingos, J. B. Eur. J. Org. Chem. 20135180-5187.


23. Synthetic Pathway for a New Series of Liquid Crystal 2,6-Disubstituted imidazo[2,1-b][1,3,4]thiadiazole, Gallardo, H.; Santos, D. M. P. O.; Caramori, G. F.; Molin, F.; Bechtold, I. H. Liq. Cryst.  2013, 40, 570-580.


22. Peculiar Reactivity of a Di-imine Copper(II) Complex Regarding its Binding to Albumin Protein, Silveira, V. C.; Abbott, M. P.; Cavicchioli, M.; Golçalves, M. B.; Petrilli, H. M.; de Rezende, L.; Amaral, A. T.; Fonseca, D. E. P.; Caramori, G. F.; Ferreira, A. M. D. C. Dalton Trans.  2013, 42, 6386-6396.


21. Nanoparticle Translocation through a Lipid Bilayer Tuned by Surface Chemistry, Rocha, E. L.; Caramori, G. F.; Rambo, C. R. Phys. Chem. Chem. Phys.  2013, 15, 2282-2290. (Front Cover)

Publications 2008 – 2012


20. Hydrogen Bonds and the Ressonance Effect on the Formamide-Water Complexes, Parreira, R. L. T.; Caramori, G. F.; Morgon, N. H.; Galembeck, S. E. Int. J. Quantum Chem.  2012, 112, 1401-1420.


19. Isatin-Schiff Base Copper(II) Complexes – A DFT Study of the Metal-Ligand Bonding Situation, Caramori, G. F.; Parreira, R. L. T.; Ferreira, A. M. C. D. Int. J. Quantum Chem.  2012, 112, 625-646.


18. Nitro-Substituted 4-[(phenylmethylene)imino]phenolates: Solvatochromism and Their Use as Solvatochromic Switches and as Probes for the Investigation of Preferential Solvent in Solvent Mixtures, Nandi, L. G.; Facin, F.; Marini, V. G.; Zimmermann, L. M.; Giusti, L. A.; da Silva, R.; Caramori, G. F.; Machado, V. G. J. Org. Chem.  2012, 77, 10668-10679.


17. The Nature of Ru-NO Bonds in Ruthenium Tetraazamacrocycle Nitrosyl Complexes – A Computational Study, Caramori, G. F.; Kunitz, A. G.; Doro, F.G.; Andriani, K. F.; Frenking, G.; Tfouni. E. Dalton Trans.  2012, 41, 7327-7339.


16. Quinolinyl and quinolinyl N-oxide chalcones: Synthesis, antifungal and cytotoxic activities, Tavares, L. T.; Johann, S.; Alves, T. M. A.; Guerra, J. C.; Souza-Fagundes, E. M.; Cisalpino, P. S.; Bortoluzzi, A. J.; Caramori, G. F.; Piccoli, R. M.; Braibante, H. T. S.; Braibante, M. E. F.; Pizzolatti, M. G. Eur. J. Med. Chem.  2011, 46, 4448-4456.


15. Interactions of Di-Imine Copper(II) Complexes with Albumin: Competitive Equilibria, Promoted Oxidative Damage and DFT Studies, Azzellini, M. A. A.; Abbott, M. P.; Machado, A.; Miranda, M. T. M.; Garcia, L. C.; Caramori, G. F.; Goncalves, M. B.; Petrilli, H.; Ferreira, A. M. D. C.  J.  Braz. Chem. Soc.  2010, 21, 1303-1317.


14. Sesquiterpene Lactones from Vernonia Scorpioides and Their in Vitro Cytotoxixity, Buskuhl, H.; de Oliveira, F. L.; Blind, L. Z.; de Freitas, R. A.; Barison, A.; Campos, F. R.; Corilo, Y. E.; Eberlin, M. N.; Caramori, G. F.; Biavatti, M. W.  Phytochemistry  2010, 71, 1539-1544.


13. The Effects of N-Heterocyclic Ligands on the Nature of Ru-NO Bond in Ruthenium Tetraammine Nitrosyl Complexes, Caramori, G. F.; Frenking, G.  Croat. Chem. Acta  2009, 82, 219-232.


12. Oxindole-Schiff Base Copper(II) Complexes Interactions with Human Serum Albumin: Spectroscopic, Oxidative Damage, and Computational Studies, Silveira, V. C.; Caramori, G. F.; Abbott, M. P.; Gonçalves, M. B.; Petrilli, H.; Ferreira, A. M. C. D.  J. Inorg. Biochem.  2009, 103, 1331-1341.


11. Aromaticidade Evolução Histórica do Conceito e Critérios Quantitativos, Caramori, G. F.; Oliveira, K. T.  Química Nova  2009, 32, 1871-1884. (Front Cover)


10. Analysis of the Metal-Ligand Bond in [Mo(X)(NH2)3] (X= P, PO, and NO), [Mo(CO)5(NO)]+, and [Mo(CO)5(PO)]+, Caramori, G. F.; Frenking. G. Theor. Chem. Acc. 2008, 120, 351-361.


9. The Nature of the Interactions between Pt4 Cluster and the Adsorbates H, OH, and H2O, Parreira, R. L. T.; Caramori, G. F.; Galembeck, S. E.; Huguenin, F. J. Phys. Chem. A. 2008, 112, 11731-11743.


8. A Computational Study of Tetrafluoro-[2.2]Cyclophanes, Caramori, G. F.; Galembeck, S. E. J. Phys. Chem. A. 2008, 112, 11784-11800.

Publications 2003 – 2007


7. Computational Study about Through-bond and Through-space Interactions in [2.2]Cyclophanes, Caramori, G. F.; Galembeck, S. E. J. Phys. Chem. A 2007, 111, 1705-1712. 


6. Aromaticity in Methano[10]annulenes, Caramori, G. F.; Oliveira, K. T.; Galembeck, S. E.; Bultinck, P.; Constantino, M. G.  J. Org. Chem. 2007, 72, 76-85. 


5. The Nature of Ru-NO Bond in Ruthenium Tetraammine Nitrosyl Complexes,  Caramori, G. F.; Frenking, G. Organometallics. 2007, 26, 5815-5825.


4. Efeitos de Substituintes na Ligação de Hidrogênio do 3-hidroxi-propenal, Rustici, V. C. F.; Caramori, G. F.; Galembeck, S. E. Química Nova. 2005, 29, 1187-1192.


3. New Exploration of the Torsional Energy Surface of n-Pentane using Molecular Modeling Software, Galembeck, S. E.; Caramori, G. F.; Romero, J. R.  J. Chem. Edu. 2005, 82, 1800-1805.


2. A Computational Study of [2.2]Cyclophanes, Caramori, G. F.; Galembeck, S. E.; Laali, K. K. J. Org. Chem. 2005, 70, 3242-3250.


1. Qual o Sítio de Reação? Um experimento Computacional, Galembeck, S. E.; Caramori, G. F. Química Nova 2003, 26, 957-959.

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