Química supramolecular (SUPRAMOL)

Publicacions en revistes

  • S. Bujosa, E. E. Greciano, M. A. Martínez, L. Sánchez, B. Soberats, "Unveiling the Role of Hydrogen Bonds in Luminescent N-Annulated Perylene Liquid Crystals", "Chemistry-A European Journal", Volum 27, Pàgines 14282-14286, 2021. Article.
  • Rafel Perelló-Roig; Jaume Verd; Sebastià Bota; Bartomeu Soberats; Antonio Costa;Jaume Segura, "CMOS-MEMS VOC sensors functionalized via inkjet polymer deposition for high-sensitivity acetone detection", "Lab On a Chip", Volum 21, Número 17, Pàgines 3197-3402, 2021. Article.
  • Fernanda Pilaquinga; Jeroni Morey; Lenys Fernandez; Patricio Espinoza-Montero; Mauricio Moncada-Basualto; Josue Pozo-Martinez; Claudio Olea-Azar; Rafael Bosch; Lorena Meneses; Alexis Debut; María de las Nieves Piña, "Determination of Antioxidant Activity by Oxygen Radical Absorbance Capacity (ORAC-FL), Cellular Antioxidant Activity (CAA), Electrochemical and Microbiological Analyses of Silver Nanoparticles Using the Aqueous Leaf Extract of Solanum mammosum L.", "International Journal Of Nanomedicine", Volum 2021, Número 16, Pàgines 5879-5894, 2021. Article.
  • Fernanda Pilaquinga; Jeroni Morey; Marbel Torres; Rachid Seqqat; María de las Nieves Piña., "Silver nanoparticles as a potential treatment against SARS-CoV-2: a review", "WIREs Nanomedecine and Nanobiotechnology", Pàgines 1-19, 2021. Review.
  • Fernanda Pilaquinga; Sofía Cárdenas; Doris Vela; Eliza Jara, Jeroni Morey; José Luis Gutiérrez-Coronado; Alexis Debut; María de las Nieves Piña, "Fertility and iron bioaccumulation in Drosophila melanogaster fed with magnetite nanoparticles using a validated method", "Molecules", Volum 26, Pàgines 2808-2823, 2021. Article.
  • Jeroni Morey , Pere Llinás , Alberto Bueno?Costa , Alberto J. León and M. Nieves Piña, "Raltitrexed?Modified Gold and Silver Nanoparticles for Targeted Cancer Therapy: Cytotoxicity Behavior In Vitro on A549 and HCT?116 Human Cancer Cells", "Materials", Volum 14, Pàgines 534, 2021. Article.
  • Marta Ximenis; Angel Sampedro; Luis Martinez; Guillem Ramis; Francisca Orvay; Antonio Costa ; Carmen Rotger, "Introducing a squaramide-based self-immolative spacer for controlled drug release", "Chemical Communications", Volum 57, Número 22, Pàgines 2736-2739, 2021. Article.
  • Manel Vega; Salvador Blasco; Enrique García-España; Bartolomé Soberats; Antonio Frontera; Carmen Rotger; Antonio Costa, "Dual role of silver in a fluorogenic N-squaraine probe based on Ag(I)-ππ interactions", "Dalton Transactions", Volum 50, Número 27, Pàgines 9367-9371, 2021. Article.
  • F. Orvay; J. Cerdá; C. Rotger; E. Ortí; J. Aragó; A. Costa; B. Soberats, "Influence of the Z/E Isomerism on the Pathway Complexity of a Squaramide?Based Macrocycle", "Small", Volum 17, Número 7, Pàgines 2006133-1-2006133-9, 2021. Article.
  • Thakur, S.; Gomila, R.M.; Frontera, A.; Chattopadhyay, S., "A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as -hole donors and benzoate groups as -hole acceptors in a dinuclear copper(ii) complex", "Crystengcomm", Volum 23, Número 29, Pàgines 5087-5096, 2021. Article.
  • Pal, P.; Das, K.; Hossain, A.; Gomila, R.M.; Frontera, A.; Mukhopadhyay, S., "Synthesis and crystal structure of the simultaneous binding of Ni(ii) cation and chloride by the protonated 2,4,6 tris-(2-pyridyl)-1,3,5 triazine ligand: theoretical investigations of anion, and hydrogen bonding interactions", "New Journal of Chemistry", Volum 45, Número 26, Pàgines 11689-11696, 2021. Article.
  • Hazari, A.; Gomila, R.M.; Frontera, A.; Drew, M.G.B.; Ghosh, A., "Change in molecular shapes of the trinuclear CuII 2ZnIIcomplexes on Schiff base reduction: structural and theoretical investigations", "Crystengcomm", Volum 23, Número 27, Pàgines 4848-4856, 2021. Article.
  • Guo, C.-X.; Yogendra, S.; Gomila, R.M.; Frontera, A.; Hennersdorf, F.; Steup, J.; Schwedtmann, K.; Weigand, J.J., "A convenient access to fluorophosphonium triflate salts by electrophilic fluorination and anion exchange", "Inorganic Chemistry Frontiers", Volum 8, Número 11, Pàgines 2854-2864, 2021. Article.
  • Basak, T.; Gomila, R.M.; Frontera, A.; Chattopadhyay, S., "Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes", "Crystengcomm", Volum 23, Número 14, Pàgines 2703-2710, 2021. Article.
  • Khan, S.; Dutta, T.; Cortijo, M.; González-Prieto, R.; Drew, M.G.B.; Gomila, R.M.; Frontera, A.; Chattopadhyay, S., "Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction", "Crystengcomm", Volum 23, Número 9, Pàgines 1942-1952, 2021. Article.
  • Baykov, S.V.; Geyl, K.K.; Ivanov, D.M.; Gomila, R.M.; Frontera, A.; Kukushkin, V.Y., "Azine Steric Hindrances Switch Halogen Bonding to N-Arylation upon Interplay with -Hole Donating Haloarenenitriles", "Chemistry-An Asian Journal", Volum 16, Número 11, Pàgines 1445-1455, 2021. Article.
  • Rosental, M.; Coldman, R.N.; Moro, A.J.; Angurell, I.; Gomila, R.M.; Frontera, A.; Lima, J.C.; Rodríguez, L., "Using room temperature phosphorescence of gold(I) complexes for pahs sensing", "Molecules", Volum 26, Número 9, 2021. Article.
  • Maity, S.; Mahapatra, P.; Ghosh, T.K.; Gomila, R.M.; Frontera, A.; Ghosh, A., "Synthesis of Ni(ii)-Mn(ii) complexes using a new mononuclear Ni(ii) complex of an unsymmetrical N2O3donor ligand: structures, magnetic properties and catalytic oxidase activity", "Dalton Transactions", Volum 50, Número 13, Pàgines 4686-4699, 2021. Article.
  • Samaniyan, M.; Mirzaei, M.; Gomila, R.M.; Eshtiagh-Hosseini, H.; Lotfian, N.; Mague, J.T.; Pour, A.N.; Frontera, A., "Supramolecular network of a framework material supported by the anion- linkage of Keggin-type heteropolyoxotungstates: experimental and theoretical insights", "Dalton Transactions", Volum 50, Número 5, Pàgines 1895-1900, 2021. Article.
  • Hiren Nath; Pranay Sharma; Rosa M. Gomila; Antonio Frontera; Miquel Barceló-Oliver; Akalesh K. Verma; Kasturi Dutta; Manjit K. Bhattacharyya, "Unconventional Enclathration of Guest Adipic acid and Energetically Significant Antiparallel π-stacked Ternary Assemblies involving unusual Regium-π(Chelate) Contacts in Phenanthroline-based Ni(II) and Cu(II) Compounds: Antiproliferative Evaluation and Theoretical Studies", "Journal of Molecular Structure", Volum 1245, Pàgines 131038, 2021. Article.
  • Basak, T.; Gómez-García, C.J.; Gomila, R.M.; Frontera, A.; Chattopadhyay, S., "Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight", "Rsc Advances", Volum 11, Número 6, Pàgines 3315-3323, 2021. Article.
  • María de las Nieves Piña; Antonio Frontera; Antonio Bauza, "Charge Assisted S/Se Chalcogen Bonds in SAM Riboswitches: A Combined PDB and ab Initio Study", "Acs Chemical Biology", 2021. Article.
  • Llull, R.; Montalbán, G.; Vidal, I.; Gomila, R.M.; Bauzá, A.; Frontera, A., "Theoretical study of spodium bonding in the active site of three Zn-proteins and several model systems", "Physical Chemistry Chemical Physics", Volum 23, Número 31, Pàgines 16888-16896, 2021. Article.
  • Frontera, A.; Bauzá, A., "Biological halogen bonds in protein-ligand complexes: a combined QTAIM and NCIPlot study in four representative cases", "Organic & Biomolecular Chemistry", Volum 19, Número 31, Pàgines 6858-6864, 2021. Article.
  • Gomila, R.M.; Bauza, A.; Mooibroek, T.J.; Frontera, A., "-Hole spodium bonding in tri-coordinated Hg(ii) complexes", "Dalton Transactions", Volum 50, Número 22, Pàgines 7545-7553, 2021. Article.
  • Anyfanti, G.; Bauzá, A.; Gentiluomo, L.; Rodrigues, J.; Portalone, G.; Frontera, A.; Rissanen, K.; Puttreddy, R., "Short X···N Halogen Bonds With Hexamethylenetetraamine as the Acceptor", "Frontiers In Chemistry", Volum 9, 2021. Article.
  • Gomila, R.M.; Bauzá, A.; Mooibroek, T.J.; Frontera, A., "Spodium bonding in five coordinated Zn(ii): a new player in crystal engineering?", "Crystengcomm", Volum 23, Número 17, Pàgines 3084-3093, 2021. Article.
  • Schmer, A.; Bauza, A.; Schnakenburg, G.; Frontera, A.; Streubel, R., "Molecular 1,1-bifunctional mixed-valence P-P compounds, enabled through metal complexation", "Dalton Transactions", Volum 50, Número 6, Pàgines 2131-2137, 2021. Article.
  • Maiti, M.; Thakurta, S.; Pilet, G.; Bauzá, A.; Frontera, A., "Two new hydrogen-bonded supramolecular dioxo-molybdenum(VI) complexes based on acetyl-hydrazone ligands: Synthesis, crystal structure and DFT studies", "Journal of Molecular Structure", Volum 1226, 2021. Article.
  • Mahmoudi, G.; Zangrando, E.; Frontera, A.; Safin, D.A., "Ligand structure-driven self-assembly of Zn(NCS)2 with a carbohydrazone ligand: A possible intermediate towards a [2 × 2] metallic grid", "Journal of Molecular Structure", Volum 1225, 2021. Article.
  • Sharma, N.; Gupta, M.; Chowhan, B.; Frontera, A., "Magnetically separable nanocatalyst (IL@CuFe2O4-L-Tyr-TiO2/TiTCIL): Preparation, characterization and its applications in 1,2,3-triazole synthesis and in photodegradation of MB", "Journal of Molecular Structure", Volum 1224, 2021. Article.
  • Das, A.; Sharma, P.; Frontera, A.; Verma, A.K.; Barcelo-Oliver, M.; Hussain, S.; Bhattacharyya, M.K., "Energetically significant nitrilenitrile and unconventional CH(nitrile) interactions in pyridine based Ni(II) and Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies", "Journal of Molecular Structure", Volum 1223, 2021. Article.
  • Ahmed, F.; Ortega-Castro, J.; Frontera, A.; Mir, M.H., "Semiconducting properties of pyridyl appended linear dicarboxylate based coordination polymers: Theoretical prediction: Via DFT study", "Dalton Transactions", Volum 50, Número 1, Pàgines 270-278, 2021. Article.
  • Belmont-Sánchez, J.C.; García-Rubiño, M.E.; Frontera, A.; González-Pérez, J.M.; Castiñeiras, A.; Niclós-Gutiérrez, J., "H-bonds, -stacking and (Water)o-h/ interactions in (µ4-edta)bis(imidazole) dicopper(ii) dihydrate", "Crystals", Volum 11, Número 1, Pàgines 1-15, 2021. Article.
  • Pranay Sharma; Hiren Nath; Antonio Frontera; Miquel Barceló-Oliver; Akalesh K. Verma; Sahid Hussain; Manjit K. Bhattacharyya, "Biologically relevant Unusual Cooperative assemblies and Fascinating Infinite Crown-like Supramolecular Nitrate- Water hosts involving Guest Complex Cations in Bipyridine and Phenanthroline-based Cu(II) Coordination Compounds: Antiproliferative Evaluation and Theoretical studies", "New Journal of Chemistry", Volum 45, Pàgines 8269-8282, 2021. Article.
  • Pinku Sharma; Pranay Sharma; Antonio Frontera; Miquel Barceló-Oliver; Akalesh K. Verma; Trinayan Barthakur; Manjit Bahttacharyya, "Unconventional π-hole and Semi-coordination Regium Bonding interactions directed Supramolecular Assemblies in Pyridinedicarboxylato Bridged Polymeric Cu(II) Compounds: Antiproliferative Evaluation and Theoretical Studies", "Inorganica Chimica Acta", Volum 525, Pàgines 120461, 2021. Article.
  • Álvarez-Vidaurre, R.; Castiñeiras, A.; Frontera, A.; García-Santos, I.; Gil, D.M.; González-Pérez, J.M.; Niclós-Gutiérrez, J.; Torres-Iglesias, R., "Weak interactions in cocrystals of isoniazid with glycolic and mandelic acids", "Crystals", Volum 11, Número 4, 2021. Article.
  • Mahmoudi, G.; Masoudiasl, A.; Afkhami, F.A.; White, J.M.; Zangrando, E.; Gurbanov, A.V.; Frontera, A.; Safin, D.A., "A new coordination polymer constructed from Pb(NO3)2 and a benzylideneisonicotinohydrazide derivative: Coordination-induced generation of a -hole towards a tetrel-bonding stabilized structure", "Journal of Molecular Structure", Volum 1234, 2021. Article.
  • Pérez, H.; Di Santo, A.; Piro, O.E.; Echeverría, G.A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, A.; Gil, D.M., "A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations", "Crystengcomm", Volum 23, Número 5, Pàgines 1158-1171, 2021. Article.
  • Ghosh, K.; Frontera, A.; Chattopadhyay, S., "A theoretical insight on the anionanion interactions observed in the solid state structure of a hetero-trinuclear complex", "Crystengcomm", Volum 23, Número 6, Pàgines 1429-1438, 2021. Article.
  • Adhikari, S.; Bhattacharjee, T.; Bhattacharjee, S.; Daniliuc, C.G.; Frontera, A.; Lopato, E.M.; Bernhard, S., "Nickel(ii) complexes based on dithiolate-polyamine binary ligand systems: crystal structures, hirshfeld surface analysis, theoretical study, and catalytic activity study on photocatalytic hydrogen generation", "Dalton Transactions", Volum 50, Número 16, Pàgines 5632-5643, 2021. Article.
  • Mondal, I.; Frontera, A.; Chattopadhyay, S., "On the importance of RH3CN tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand", "Crystengcomm", Volum 23, Número 18, Pàgines 3391-3397, 2021. Article.
  • Chetry, S.; Sharma, P.; Frontera, A.; Saha, U.; Verma, A.K.; Sarma, B.; Kalita, P.J.; Bhattacharyya, M.K., "Biologically relevant and energetically significant cooperative ternary (-)2/(-)1/(-)2assemblies and fascinating discrete (H2O)21clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii) phenanthroline compounds: Antiproliferative evaluation and theoretical studies", "New Journal of Chemistry", Volum 45, Número 7, Pàgines 3699-3715, 2021. Article.
  • Yu, S.; Kumar, P.; Ward, J.S.; Frontera, A.; Rissanen, K., "A nucleophilic iodine in a halogen-bonded iodonium complex manifests an unprecedented I+···Ag+ interaction", "Chem", Volum 7, Número 4, Pàgines 948-958, 2021. Article.
  • Ward, J.S.; Frontera, A.; Rissanen, K., "Utility of Three-Coordinate Silver Complexes Toward the Formation of Iodonium Ions", "Inorganic Chemistry", Volum 60, Número 7, Pàgines 5383-5390, 2021. Article.
  • Zia, M.; Hameed, S.; Frontera, A.; Irran, E.; Naseer, M.M., "Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights", "Crystengcomm", Volum 23, Número 17, Pàgines 3144-3151, 2021. Article.
  • Karmakar, M.; Frontera, A.; Chattopadhyay, S., "Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain", "Crystengcomm", Volum 23, Número 9, Pàgines 1918-1928, 2021. Article.
  • Basak, T.; Frontera, A.; Chattopadhyay, S., "Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br halogen bonding", "Crystengcomm", Volum 23, Número 7, Pàgines 1578-1587, 2021. Article.
  • García-Rubiño, M.E.; Matilla-Hernández, A.; Frontera, A.; Lezama, L.; Niclós-Gutiérrez, J.; Choquesillo-Lazarte, D., "Dicopper(Ii)-edta chelate as a bicephalic receptor model for a synthetic adenine nucleoside", "Pharmaceuticals", Volum 14, Número 5, 2021. Article.
  • Thakur, S.; Frontera, A.; Chattopadhyay, S., "An insight into the supramolecular interactions in two linear polyvanadates", "Journal of Molecular Structure", Volum 1242, 2021. Article.
  • Hossain, A.; Dey, A.; Seth, S.K.; Ray, P.P.; Ortega-Castro, J.; Frontera, A.; Mukhopadhyay, S., "Anion-dependent structural variations and charge transport property analysis of 4-(3-pyridyl)-4,2:6,4-terpyridinium salts", "Crystengcomm", Volum 23, Número 19, Pàgines 3569-3581, 2021. Article.
  • Ward, J.S.; Frontera, A.; Rissanen, K., "Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(i) and silver(i) complexes", "Chemical Communications", Volum 57, Número 41, Pàgines 5094-5097, 2021. Article.
  • Ward, J.S.; Frontera, A.; Rissanen, K., "Iodonium complexes of the tertiary amines quinuclidine and 1-ethylpiperidine", "Dalton Transactions", Volum 50, Número 24, Pàgines 8297-8301, 2021. Article.
  • Zelenkov, L.E.; Eliseeva, A.A.; Baykov, S.V.; Suslonov, V.V.; Galmés, B.; Frontera, A.; Kukushkin, V.Y.; Ivanov, D.M.; Bokach, N.A., "Electron belt-to-s-hole switch of noncovalently bound iodine(i) atoms in dithiocarbamate metal complexes", "Inorganic Chemistry Frontiers", Volum 8, Número 10, Pàgines 2505-2517, 2021. Article.
  • Pramanik, S.; Pathak, S.; Jana, S.; Mondal, M.; Frontera, A.; Mukhopadhyay, S., "An experimental and theoretical exploration of supramolecular interactions and photoresponse properties of two Ni(ii) complexes", "New Journal of Chemistry", Volum 45, Número 27, Pàgines 12108-12119, 2021. Article.
  • Daolio, A.; Pizzi, A.; Terraneo, G.; Ursini, M.; Frontera, A.; Resnati, G., "AnionAnion Coinage Bonds: The Case of Tetrachloridoaurate", "Angewandte Chemie-International Edition", Volum 60, Número 26, Pàgines 14385-14389, 2021. Article.
  • Babashkina, M.G.; Frontera, A.; Kertman, A.V.; Saygideger, Y.; Murugavel, S.; Safin, D.A., "Favipiravir: insight into the crystal structure, Hirshfeld surface analysis and computational study", "Journal Of The Iranian Chemical Society", 2021. Article.
  • Mahmoudi, G.; Afkhami, F.A.; Zangrando, E.; Kaminsky, W.; Frontera, A.; Safin, D.A., "A supramolecular 3D structure constructed from a new metal chelate self-assembled from Sn(NCS)2 and phenyl(pyridin-2-yl)methylenepicolinohydrazide", "Journal of Molecular Structure", Volum 1224, 2021. Article.
  • Rozhkov, A.V.; Ananyev, I.V.; Petrov, A.A.; Galmés, B.; Frontera, A.; Bokach, N.A.; Kukushkin, V.Y., "Ligand Steric Hindrances Switch Bridging (2-I)···O,O to Two-Center I···O Halogen-Bonding Mode in the Assembly of Diketonate Copper(II) Species", "Crystal Growth & Design", Volum 21, Número 7, Pàgines 4073-4082, 2021. Article.
  • Ahmed, M.N.; Madni, M.; Anjum, S.; Andleeb, S.; Hameed, S.; Khan, A.M.; Ashfaq, M.; Tahir, M.N.; Gil, D.M.; Frontera, A., "Crystal engineering with pyrazolyl-thiazole derivatives: Structure-directing role of -stacking and -hole interactions", "Crystengcomm", Volum 23, Número 18, Pàgines 3276-3287, 2021. Article.
  • Biswas, N.; Saha, S.; Zangrando, E.; Frontera, A.; Choudhury, C.R., "Catecholase-like activity and theoretical study in solid state of a new ru(III)-schiff base complex", "Acta Chimica Slovenica", Volum 68, Número 1, Pàgines 212-221, 2021. Article.
  • Daolio, A.; Pizzi, A.; Calabrese, M.; Terraneo, G.; Bordignon, S.; Frontera, A.; Resnati, G., "Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements", "Angewandte Chemie-International Edition", 2021. Article.
  • Rosselló, Y.; Benito, M.; Barceló-Oliver, M.; Frontera, A.; Molins, E., "1-Ethyluracil, a New Scaffold for Preparing Multicomponent Forms: Synthesis, Characterization, and Computational Studies", "Crystal Growth & Design", 2021. Article.
  • Ashashi, N.A.; Kumar, M.; ul Nisa, Z.; Frontera, A.; Sahoo, S.C.; Sheikh, H.N., "Solvothermal self assembly of three lanthanide(III)-succinates: Crystal structure, topological analysis and DFT calculations on water channel", "Journal of Molecular Structure", Volum 1245, 2021. Article.
  • Priola, E.; Mahmoudi, G.; Andreo, J.; Frontera, A., "Unprecedented [d9]Cu[d10]Au coinage bonding interactions in {Cu(NH3)4[Au(CN)2]}+[Au(CN)2]salt", "Chemical Communications", Volum 57, Número 59, Pàgines 7268-7271, 2021. Article.
  • García-Márquez, A.; Frontera, A.; Roisnel, T.; Gramage-Doria, R., "Ultrashort H+Hintermolecular distance in a supramolecular system in the solid state", "Chemical Communications", Volum 57, Número 58, Pàgines 7112-7115, 2021. Article.
  • Castiñeiras, A.; Fernández-Hermida, N.; García-Santos, I.; Gómez-Rodríguez, L.; Gil, D.M.; Frontera, A., "Supramolecular, spectroscopic and computational analysis of weak interactions in some thiosemicarbazones derived from 5-acetylbarbituric acid", "Journal of Molecular Structure", Volum 1245, 2021. Article.
  • Das, A.; Sharma, P.; Frontera, A.; Barcelo-Oliver, M.; Verma, A.K.; Ahmed, R.S.; Hussain, S.; Bhattacharyya, M.K., "Supramolecular assemblies involving biologically relevant antiparallel -stacking and unconventional solvent driven structural topology in maleato and fumarato bridged Zn(ii) coordination polymers: antiproliferative evaluation and theoretical studies", "New Journal of Chemistry", Volum 45, Número 29, Pàgines 13040-13055, 2021. Article.
  • Fernández Riveras, J.A.; Frontera, A.; Bauzá, A., "Selenium chalcogen bonds are involved in protein-carbohydrate recognition: A combined PDB and theoretical study", "Physical Chemistry Chemical Physics", Volum 23, Número 32, Pàgines 17656-17662, 2021. Article.
  • Suslonov, V.V.; Soldatova, N.S.; Ivanov, D.M.; Galmés, B.; Frontera, A.; Resnati, G.; Postnikov, P.S.; Kukushkin, V.Yu.; Bokach, N.A., "Diaryliodonium Tetrachloroplatinates(II): Recognition of a Trifurcated Metal-Involving 3-I(Cl,Cl,Pt) Halogen Bond", "Crystal Growth & Design", 2021. Article.
  • Sharma, P.; Dutta, D.; Gomila, R.M.; Frontera, A.; Barcelo-Oliver, M.; Verma, A.K.; Bhattacharyya, M.K., "Benzoato bridged dinuclear Mn(II) and Cu(II) compounds involving guest chlorobenzoates and dimeric paddle wheel supramolecular assemblies: Antiproliferative evaluation and theoretical studies", "Polyhedron", Volum 208, 2021. Article.
  • Guo, C.-X.; Schwedtmann, K.; Fidelius, J.; Hennersdorf, F.; Dickschat, A.; Bauzá, A.; Frontera, A.; Weigand, J.J., "Bifunctional Fluorophosphonium Triflates as Intramolecular Frustrated Lewis Pairs: Reversible CO2 Sequestration and Binding of Carbonyls, Nitriles and Acetylenes", "Chemistry-A European Journal", 2021. Article.
  • Mónica Benito; Yannick Roselló; Miquel Barceló-Oliver; Antonio Frontera; Elies Molins, "Uracil Derivatives for Halogen-Bonded Cocrystals", "International Journal Of Molecular Sciences", Volum 22, Pàgines 10663, 2021. Article.
  • Debasish Dutta; Pranay Sharma; Rosa M. Gomila; Antonio Frontera; Miquel Barcelo-Oliver; Akalesh K. Verma; Munmi Gogoi; Manjit K. Bhattacharyya, "Solvent Driven Structural Topologies involving Unconventional O-H(methanol)?π contact and Cooperative HB···Anion-π···HB assemblies with Unusual Enclathration of dual guest (H2O)4 cores in Mn(II) and Ni(II) Coordination Compounds: Antiproliferative Evaluation and Theoretical Studies", "Polyhedron", Volum 210, Pàgines 115503, 2021. Article.
  • Daolio, A.; Pizzi, A.; Terraneo, G.; Frontera, A.; Resnati, G., "AnionAnion Interactions Involving -Holes of Perrhenate, Pertechnetate and Permanganate Anions", "Chemphyschem", 2021. Article.
  • Gomila, R.M.; Frontera, A., "Metalloid Chalcogenpnictogen -hole bonding competition in stibanyl telluranes", "Journal of Organometallic Chemistry", Volum 954-955, 2021. Article.
  • Frontera, A.; Bauzá, A., "Glutamate carboxypeptidase II as a model system for designing host-guest units: a theoretical approach", "Organic & Biomolecular Chemistry", Volum 19, Número 36, Pàgines 7816-7821, 2021. Article.
  • Le, A.T.; Tran, V.T.T.; Le, D.T.; Gomila, R.M.; Frontera, A.; Zubkov, F.I., "Synthesis, X-ray characterization and theoretical study of all-cis1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: On the importance of the through-space -effect", "Crystengcomm", Volum 23, Número 42, Pàgines 7462-7470, 2021. Article.
  • Marïa de las Nieves Piña; Antonio Frontera: Tiddo J. Mooibroek; Antonio Bauzá , "Frustrated Lewis Pairs Based on Carbon----Carbon+ Tetrel Bonds: A DFT Study", "Chemphyschem", Volum 23, Número 23, Pàgines 2478-2483, 2021. Article.
  • Basak, T.; Frontera, A.; Chattopadhyay, S., "Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: On the importance of C-H interactions", "Rsc Advances", Volum 11, Número 48, Pàgines 30148-30155, 2021. Article.
  • Ahmed, M.N.; Ghias, M.; Shah, S.W.A.; Shoaib, M.; Tahir, M.N.; Ashfaq, M.; Ibrahim, M.A.A.; Andleeb, H.; Gil, D.M.; Frontera, A., "X-ray characterization, Hirshfeld surface analysis, DFT calculations,in vitroandin silicolipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones", "New Journal of Chemistry", Volum 45, Número 42, Pàgines 19928-19940, 2021. Article.
  • Reza Esmaeeli; María de las Nieves Piña; Antonio Frontera; Alberto Pérez; Antonio Bauzá , "Importance of Anion−pi Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM Study", "Journal Of Chemical Theory And Computation", Número 17, Pàgines 6624-6633, 2021. Article.
  • Kumar, P.; Frontera, A.; Pandey, S.K., "Coordination: Versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand", "New Journal of Chemistry", Volum 45, Número 41, Pàgines 19402-19415, 2021. Article.
  • Frontera, A.; Bauzá, A., "On the importance of hole interactions in crystal structures", "Crystals", Volum 11, Número 10, 2021. Article.
  • Ivanov, D.M.; Bokach, N.A.; Yu. Kukushkin, V.; Frontera, A., "Metal Centers as Nucleophiles: Oxymoron of Halogen Bond-Involving Crystal Engineering", "Chemistry-A European Journal", 2021. Article.
  • Biswal, H.S.; Sahu, A.K.; Galmés, B.; Frontera, A.; Chopra, D., "SeO/S and SO Chalcogen Bonds in Small Molecules and Proteins: A Combined CSD and PDB Study", "Chembiochem", 2021. Article.
  • Angeera Chandra; Dhananjoy Das; Joaquín Ortega-Castro; Kaushik Naskar; Srikanta Jana; Antonio Frontera; Partha Pratim Ray; Chittaranjan Sinha, "Cd(II) coordination polymer of fumaric acid and pyridyl-hydrazide Schiff base: Structure, photoconductivity and theoretical interpretation", "Inorganica Chimica Acta", Volum 518, Número 120253, 2021. Article.
  • Angel García-Raso, Angel Terrón, Juan J. Fiol, Adela López-Zafra, Bárbara Massanet, Antonio Frontera, Miquel Barceló-Oliver, "Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen.", "New Journal of Chemistry", Volum 45, Pàgines 22053-22061, 2021. Article.
  • Mertsalov, D.F.; Gomila, R.M.; Zaytsev, V.P.; Grigoriev, M.S.; Nikitina, E.V.; Zubkov, F.I.; Frontera, A., "On the importance of halogen bonding interactions in two X-ray structures containing all four (F, Cl, Br, I) halogen atoms", "Crystals", Volum 11, Número 11, 2021. Article.
  • Torubaev, Y.V.; Skabitsky, I.V.; Rozhkov, A.V.; Galmés, B.; Frontera, A.; Kukushkin, V.Y., "Highly polar stacking interactions wrap inorganics in organics: Lone-pair--hole interactions between the PdO4core and electron-deficient arenes", "Inorganic Chemistry Frontiers", Volum 8, Número 23, Pàgines 4965-4975, 2021. Article.
  • Akbari, M.; Mirzaei, M.; Saljooghi, A.S.; Sadeghzadeh, S.; Lotfian, N.; Aghamohammadi, M.; Notash, B.; Mague, J.T.; Gomila, R.M.; Frontera, A., "Energetic features of antiparallel stacking and hydrogen bonding interactions in two coordination complexes bearing 1,10-phenanthroline-2,9-dicarboxylic acid", "Journal of Molecular Structure", 2021. Article.
  • Yu, S.; Kalenius, E.; Frontera, A.; Rissanen, K., "Macrocyclic complexes based on [NIN]+halogen bonds", "Chemical Communications", Volum 57, Número 93, Pàgines 12464-12467, 2021. Article.
  • Alizadeh, H.; Mirzaei, M.; Saljooghi, A.S.; Jodaian, V.; Bazargan, M.; Mague, J.T.; Gomila, R.M.; Frontera, A., "Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid: N -oxide: DFT studies and antiproliferative activities consideration", "Rsc Advances", Volum 11, Número 59, Pàgines 37403-37412, 2021. Article.
  • Acebedo-Martínez, F.J.; Alarcón-Payer, C.; Frontera, A.; Barbas, R.; Prohens, R.; Di Crisci, M.; Domínguez-Martín, A.; Gómez-Morales, J.; Choquesillo-Lazarte, D., "Novel polymorphic cocrystals of the non-steroidal anti-inflammatory drug niflumic acid: Expanding the pharmaceutical landscape", "Pharmaceutics", Volum 13, Número 12, 2021. Article.
  • Schmer, A.; Welideniya, D.; Terschüren, T.; Schnakenburg, G.; Daniels, J.; Bauza, A.; Frontera, A.; Streubel, R., "A homonuclear -system with a singlet carbene-type and a nucleophilic phosphorus - The first use in P-heterocyclic synthesis", "Dalton Transactions", Volum 50, Número 48, Pàgines 17892-17896, 2021. Article.
  • Pérez, H.; Di Santo, A.; Piro, O.E.; Echeverría, G.A.; González, M.; Ben Altabef, A.; Gomila, R.M.; Frontera, A.; Gil, D.M., "Novel 'main-part' isostructuralism in metal complexes with 1-methylimidazole: Crystal structures, energy calculations and magnetic properties", "Dalton Transactions", Volum 50, Número 46, Pàgines 17029-17040, 2021. Article.
  • Priola, E.; Giordana, A.; Mazzeo, P.P.; Mahmoudi, G.; Gomila, R.M.; Zubkov, F.I.; Pokazeev, K.M.; Valchuk, K.S.; Bacchi, A.; Zangrando, E.; Frontera, A., "On the nature of recurrent Au motifs in tris(2,2-bipyridine)M(ii) (M = Fe, Co and Ni) dicyanoaurate(i) salts: X-ray analysis and theoretical rationalization", "Dalton Transactions", Volum 50, Número 46, Pàgines 16954-16960, 2021. Article.
  • Biswal, H.S.; Kumar Sahu, A.; Frontera, A.; Bauzá, A., "Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function", "Journal Of Chemical Information And Modeling", Volum 61, Número 8, Pàgines 3945-3954, 2021. Article.
  • Mahmoudi, G.; Zangrando, E.; Miroslaw, B.; Gurbanov, A.V.; Babashkina, M.G.; Frontera, A.; Safin, D.A., "Spodium bonding and other non-covalent interactions assisted supramolecular aggregation in a new mercury(II) complex of a nicotinohydrazide derivative", "Inorganica Chimica Acta", Volum 519, 2021. Article.
  • Bhattacharjee, M.; Boruah, S.R.; Dutta Purkayastha, R.N.; Ganguly, R.; Maiti, D.; Franconetti, A.; Frontera, A.; Kirillov, A.M.; Chowdhury, S.; Roy, S.; Nath, P., "Synthesis, characterization, DNA binding ability, in vitro cytotoxicity, electrochemical properties and theoretical studies of copper(II) carboxylate complexes", "Inorganica Chimica Acta", Volum 518, 2021. Article.
  • Basak, T.; Frontera, A.; Chattopadhyay, S., "Existence of stronger C[sbnd]H···(chelate ring) interaction compared to C[sbnd]H···(arene) interactions in the supramolecular assembly of dinuclear iron(III) Schiff base complexes: A theoretical insight", "Inorganica Chimica Acta", Volum 516, 2021. Article.
  • Thakur, S.; Frontera, A.; Chattopadhyay, S., "A tetrameric uudd type water cluster encapsulated in a dinuclear vanadium(V) Schiff base complex and its role in the formation of supramolecular assemblies: A joint experimental and theoretical study", "Inorganica Chimica Acta", Volum 515, 2021. Article.
  • Sharma, P.; Sarma, P.; Frontera, A.; Hussain, S.; Verma, A.K.; Bhattacharyya, M.K., "Energetically significant anti-parallel -stacking and unconventional anion- interactions in phenanthroline based Ni(II) and Cu(II) coordination compounds: Antiproliferative evaluation and theoretical studies", "Inorganica Chimica Acta", Volum 516, 2021. Article.
  • Tahmasebi, M.; Mirzaei, M.; Frontera, A., "Noble metals in polyoxometalates", "Inorganica Chimica Acta", Volum 523, 2021. Article.
  • Ganguly, S.; Drew, M.G.B.; Gomila, R.M.; Frontera, A.; Ghosh, A., "Tri- and pentanuclear CuIICdII complexes of N2O2 donor ligands with the variation of carboxylate coligands: Structural elucidation and theoretical study", "Inorganica Chimica Acta", Volum 521, 2021. Article.
  • Frontera, A.; Bauza, A., "On the importance of pnictogen and chalcogen bonding interactions in supramolecular catalysis", "International Journal Of Molecular Sciences", Volum 22, Número 22, 2021. Article.
  • Bhaumik, P.K.; Frontera, A.; Chattopadhyay, S., "An insight into the role of supramolecular interactions to stabilize the solid state structure of an octahedral nickel(II) diamine complex", "Inorganica Chimica Acta", Volum 515, 2021. Article.