Química supramolecular (SUPRAMOL)
Publicacions en revistes
- Bauza Riera, Antonio; Mooibroek, Tiddo Jonathan; Frontera Beccaria, Antonio, "Directionality of π-holes in nitro compounds.", "Chemical Communications", Volum 51, Pàgines 1491-1493, 2014. Article.
- Mitra, M.; Manna, P.; Bauza, A.; Ballester, P.; Seth, S.; Choudhury, S. R.; Frontera, A.; Mukhopadhyay, S., "3-Picoline Mediated Self-assembly of M(II)
Malonate Complexes (M = Ni/Co/Mn/Mg/Zn/Cu) Assisted by Various Weak Forces Involving Lone pair-pi, pi-pi and Anion···pi-hole Interactions", "Journal of Physical Chemistry B", Volum 118, Pàgines 14713-14726, 2014. Article. - Maiti, M.; Sadhukhan, D.; Thakurta, S.; Zangrando, E.; Pilet, G.; Bauzá, A.; Frontera, A.; Dede, B.; Mitra, S., "Synthesis, Structural Characterization, Theoretical Calculations and Catecholase Mimetic Activity of Manganese-Schiff base Complexes", "Polyhedron", Volum 75, Pàgines 45-49, 2014. Article.
- Sampedro, A.; Villalonga-Planells, R.; Vega, M.; Ramis, G.; Fernández de Mattos, S.; Villalonga, P.; Costa, A.; Rotger, C., "Cell uptake and localization studies of Squaramide based fluorescent probes.", "Bioconjugate Chemistry", Volum 25, Número 8, Pàgines 1537-1546, 2014. Article.
- Morey, J.; López, K.A.; Piña, M.N.; Quiñonero, D.; Ballester, P., "Highly efficient coordination of Hg2+ and Pb2+ metals in water with squaramide-coated Fe3O4 nanoparticles", "Journal Of Materials Chemistry a", Volum 2, Pàgines 8796-8803, 2014. Article.
- López, K.A.; Piña, M.N.; Alemany, R.; Vögler, O.; Barceló, F.; Morey, J., "Antifolate-modified iron oxide nanoparticles for targeted cancer therapy: inclusion vs. covalent union", "Rsc Advances", Volum 4, Pàgines 19196-19204, 2014. Article.
- Bhattacharyya, A.; Bhaumik, P. K.; Jana, P.; Bauza, A.; Drew, M. G. B.; Frontera, A.; Chattopadhyay, S., "A combined experimental and computational study of supramolecular assemblies in ternary copper(II) complexes with a tetradentate N4 donor Schiff base and halides", "Rsc Advances", Volum 4, Pàgines 58643-58651, 2014. Article.
- Manna, P.; Seth, S. K.; Mitra, M.; Choudhury, S. R.; Bauzá, A.; Frontera, A.; Mukhopadhyay, S., "Experimental and Computational Study of Counterintuitive ClO4(-)···ClO4(-) Interactions and the Interplay between pi+···pi and Anion···pi+ Interactions", "Crystal Growth & Design", Volum 14, Pàgines 5812-5821, 2014. Article.
- Orvay, F.; Bauzá, A.; Barceló-Oliver, M.; García-Raso, A.; Fiol, J.J.; Costa, A.; Molins, E.; Mata,I. y Frontera, A., "Synthesis, X-Ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion-Pi interactions", "Crystengcomm", Volum 16, Número 38, Pàgines 9043-9053, 2014. Article.
- Bauza, A.; Mooibroek, T.J.; Frontera, A., "Non-covalent sp3 carbon bonding with ArCF3 is analogous to CH-pi interactions.", "Chemical Communications", Volum 50, Pàgines 12626-12629, 2014. Article.
- Manna, P.; Choudhury, S. R.; Mitra, M.; Seth, S. K.; Helliwell, M.; Bauzá, A.; Frontera, A.; Mukhopadhyay, S., "A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer", "Journal of Solid State Chemistry", Volum 220, Pàgines 149-156, 2014. Article.
- Roy, S.; Bauzá, A.; Banik; R.; Biswas, S.C.; Frontera, A.; Das, S., "Structural basis for molecular recognition, theoretical studies and anti-bacterial properties of three bis-uracil derivatives", "Tetrahedron", Volum 70, Pàgines 6931-6937, 2014. Article.
- Chakraborty, P.; Adhikary, J.; Ghosh, B.; Sanyal, R.; Chattopadhyay, S. K.; Bauzá, A.; Frontera, A.; Zangrando, E.; Das, D., "Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State", "Inorganic Chemistry", Volum 53, Pàgines 8257-8269, 2014. Article.
- Chakraborty, P.; Adhikary, J.; Sanyal, R.; Khan, A.; Manna, K.; Dey, S.; Zangrando, E.; Bauzá, A.; Frontera, A.; Das, D., "Role of ligand backbone of tridentate Schiff-base on complex nuclearity and bio-relevant catalytic activities of zinc(II) complexes: Experimental and theoretical investigations", "Inorganica Chimica Acta", Volum 421, Pàgines 364-373, 2014. Article.
- Chakraborty, P.; Adhikary, S.; Samanta, S.; Escudero, D.; Castro, A. C.; Swart , M.; Bauzá, A.; Frontera, A.; Ghosh, S.; Zangrando, E.; Das, D., "Combined Experimental and Theoretical Investigation on Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Property of Zinc(II) Complexes", "Crystal Growth & Design", Volum 14, Pàgines 4111-4123, 2014. Article.
- Prankrishna Manna, S.; Seth, S. K.; Bauzá, A.; Mitra, M.; Choudhury, S. R.; Frontera, A.; Mukhopadhyay, S., "pH Dependent Formation of Unprecedented Water
Bromide Cluster in the Bromide Salts of PTP Assisted by Anion-pi Interactions: Synthesis, Structure, and DFT Study", "Crystal Growth & Design", Volum 14, Pàgines 747-755, 2014. Article. - Khosravi, I.; Mirzaei, M.; Bauzá, A.; Frontera, A.; Eftekhar, M., "New Oxo Centered Basic p-Chlorobenzoate Bridging Heterotrinuclear Complex, [Cr2MnO(C7H4O2Cl)6(Py)3]C7H5O2Cl: Synthesis, X-ray Crystal Structure, and Theoretical DFT Study", "Polyhedron", Volum 81, Pàgines 349-355, 2014. Article.
- Bauza, A.; Mooibroek, T.J.; Frontera, A., "Influence of ring size on the strength of carbon bonding complexes between anions and perfluorocycloalkanes", "Physical Chemistry Chemical Physics", Volum 16, Pàgines 19192-19197, 2014. Article.
- Bauzá, A.; Mooibroek, T.J.; Frontera, A., "Small cycloalkane 1,1',2,2'-tetracyano structures are highly directional non-covalent carbon-bond donors", "Chemistry-A European Journal", Volum 20, Pàgines 10245-10248, 2014. Article.
- Galan, A.; Escudero-Adán, E.C.; Frontera, A.; Ballester, P., "Synthesis, Structure and Binding Properties of Lipophilic Cavitands based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold", "Journal of Organic Chemistry", Volum 79, Pàgines 5545-5557, 2014. Article.
- Mirzaei, M.; Eshtiagh-Hosseini, H.; Alipour, M.; Frontera A., "Recent developments in the crystal engineering of diverse coordination modes (0
12) for Keggin-type polyoxometalates in hybrid inorganic-organic architectures", "Coordination Chemistry Reviews", Volum 275, Pàgines 1-18, 2014. Review. - Bauza, A.; Ramis, R.; Frontera, A., "Computational study of anion recognition based on tetrel and hydrogen bonding interaction by calix[4]pyrrole derivatives", "Computational And Theoretical Chemistry", Volum 1038, Pàgines 67-70, 2014. Article.
- Prohens, R.; Portell, A.; Font-Bardia, M.; Bauza, A.; Frontera, A., "Experimental and theoretical study of aromaticity effects in the solid state architecture on squaric acid derivatives", "Crystal Growth & Design", Volum 14, Pàgines 2578-2587, 2014. Article.
- Dhal, P.; Sasmal, A.; Pilet, G.; Gomez, C. J.; Bauza, A.; Frontera, A.; Mitra, S., "Copper-assisted hemiacetal synthesis: a Cu(II) chain obtained by a one-step in situ reaction of picolinaldehyde", "European Journal of Inorganic Chemistry", Pàgines 3271-3278, 2014. Article.
- Mirzaei, M.; Eshtiagh-Hosseini, H.; Bauza, A.; Mague, J. T.; Ballester, P.; Frontera, A., "On the importance of non covalent interactions in the structure of coordination Cu(II) and Co(II) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: Experimental and theoretical views", "Crystengcomm", Volum 16, Pàgines 6149-6158, 2014. Article.
- Mirzaei, M.; Eshtiagh-Hosseini, H.; Mague, J. T.; Bauza, A.; Molcanov, K.; Frontera, A., "Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by different nature of noncovalent interactions", "Crystengcomm", Volum 16, Pàgines 5352-5363, 2014. Article.
- Bauza, A.; Ramis, R.; Frontera, A., "A Combined Theoretical and Cambridge Structural Database Study of pi-hole Pnicogen Bonding Complexes Between Electron Rich Molecules and Both Nitro Compounds and Inorganic Bromides (YO2Br, Y = N, P and As)", "Journal of Physical Chemistry A", Volum 118, Pàgines 2827-2834, 2014. Article.
- Bauzá, A.; Quiñonero, D.; Deyà, P.M.; Frontera, A., "Long range effects in anion-pi interactions: their crucial role in the inhibition mechanism of Mycobacterium tuberculosis malate synthase", "Chemistry-A European Journal", Volum 20, Pàgines 6985-6990, 2014. Article.
- Hazari, A.; Das, L.K.; Bauzá, A.; Frontera, A.; Ghosh, A., "The influence of H-bonding on the 'ambidentate' coordination behaviour of thiocyanate ion to Cd(II): A combined experimental and theoretical study", "Dalton Transactions", Volum 43, Pàgines 8007-8015, 2014. Article.
- Bauzá, A.; Streubel, R.; Frontera, A., "On the Relationship between Ring Strain Energies and 'atoms-in-molecules' Properties in N2P2 Rings", "Chemical Physics Letters", Volum 597, Pàgines 40-44, 2014. Article.
- Frontera, A.; Escudero, D.; Streubel, R., "Electronic structure of N2P2 four-membered rings", "Chemphyschem", Volum 15, Pàgines 1599-1603, 2014. Article.
- Adriaenssens, L.V.; Gil-Ramírez, G.; Frontera, A.; Quiñonero, D.; Escudero-Adán, E.C.; Ballester, P., "Thermodynamic Characterization of Halide-pi Interactions in Solution using 'Two-wall' Aryl extended Calix[4]pyrroles as Model System", "Journal of the American Chemical Society", Volum 136, Número 8, Pàgines 3208-3218, 2014. Article.
- Biswas, R.; Diaz, C.; Bauzá, A.; Barceló-Oliver, M.; Frontera, A.; Ghosh, A., "Triple-bridged ferromagnetic nickel(II) complexes derived from a tridentate NNO donor Schiff base ligand: A combined experimental and theoretical DFT study on stabilization and magnetic coupling", "Dalton Transactions", Volum 43, Pàgines 6455-6467, 2014. Article.
- Cánaves, M.M.; Cabra, M.I.; Bauzá, A.; Cañellas, P.; Sánchez, K.; Orvay, F.; García-Raso, A.; Fiol, J.J.; Terrón, A.; Barceló-Oliver, M.; Ballester, P.; Mata, I.; Molins, E.; Hussain, F. y Frontera, A., "Crystal Structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M= Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers", "Dalton Transactions", Volum 43, Número 17, Pàgines 6353-6364, 2014. Article.
- Sasmal, A.; Bauza, A.; Frontera, A.; Rizzoli, C.; Desplanches, C.; Charbonniere, L. J.; Mitra, S., "Relevant and Unprecedented C-H/sigma Supramolecular Interactions Involving sigma-Aromatic M2X2 Cores", "Dalton Transactions", Volum 43, Pàgines 6195-6211, 2014. Article.
- Ghosh, A. K.; Pait, M.; Clerac, R.; Mathoniere, C.; Bertolasi, V.; Frontera, A.; Bauza, A.; Pramanik K.; Ray, D., "A Dodecanuclear Copper(II) Cage Self-Assembled from Six Dicopper Building Units", "Dalton Transactions", Volum 43, Pàgines 4076-4085, 2014. Article.
- Inclán, M.; Albelda, M.T.; Carbonell, E.; Blasco, S.; Bauzá, A.; Frontera, A.; García-España, E., "Molecular Recognition of Nucleotides in Water by Scorpiand-type Receptors based on Nucleobase Discrimination.", "Chemistry-A European Journal", Volum 20, Pàgines 3730-3741, 2014. Article.
- Seth, P. Bauza, A.; Frontera, A.; Ghosh, A., "Analyses of supramolecular interactions present in a coordination polymer of Mn(II) with 2-picolinate and 4,4′-Azobis(pyridine)", "Inorganic Chemistry Communications", Volum 41, Pàgines 1-5, 2014. Article.
- Mirzaei, M.; Eshtiagh Hosseini, H.; Lotfian, N.; Reza Salimi, A.; Bauza, A.; Van Deun, R.; Decadt, R.; Barcelo-Oliver, M.; Frontera, A., "Syntheses, structures, properties and DFT study of hybrid inorganic organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates", "Dalton Transactions", Volum 43, Número 4, Pàgines 1906-1916, 2014. Article.
- Bauza, A.; Deyà, P. M.; Frontera, A.; Quiñonero, D., "Substituent Effects in Cation/pi Interactions Revisited: A General Approach from Intrinsic Properties of the Arenes", "Physical Chemistry Chemical Physics", Volum 16, Número 4, Pàgines 1322-1326, 2014. Article.
- Mirzaei, M.; Eshtiagh-Hosseini, H.; Zarghami, S.; Bauza, A.; Frontera, A.; Mague, J.T.; Habibi M.; Shamsipur, M., "Crystal engineering with coordination compounds of NiII, CoII, CrIII, and CdII bearing 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face pi???pi stacking: X-ray structures, DFT calculations, and solution studies", "Crystengcomm", Volum 16, Pàgines 1359-1377, 2014. Article.
- Saha, S.; Sasmal, A.; Pilet, G.; Bauza, A.; Frontera, A.; Mitra, S., "Unusual Nitrosyl¿Nitrosyl Interaction in Coordination Polymers of Ni(II) and Co(II) Complexes with α,ω-bis(benzotriazoloxy)alkane System", "Crystengcomm", Volum 16, Pàgines 654-666, 2014. Article.
- Olmo, F.; Rotger, C.; Ramírez-Macías, I.; Martínez, L.; Marín, C.; Carreras, L.; Urbanová, K.; Vega, M.; Chaves-Lemaur, G.; Sampedro, A.; Rosales, M.J.; Sánchez-Moreno, M.; Costa, A., "Synthesis and Biological evaluation of N-N'-squaramides with high in vivo efficacy and low toxicity: toward a low-cost drug against Chagas disease.", "Journal of Medicinal Chemistry", Volum 57, Número 3, Pàgines 987-999, 2014. Article.
- Soberats, B.; Sanna, E.; Martorell, G.; Rotger, C.; Costat, A., "Programmed Enzyme-Mimic Hydrolysis of a Choline Carbonate by a Metal-Free 2-Aminobenzimidazole-Based Cavitand", "Organic Letters", Volum 16, Número 3, Pàgines 840-843, 2014. Article.