Publications 2021

Publications

  1. Aguilar-Galindo, F.; Borisov, A. G.; Diaz-Tendero, S. Ultrafast Dynamics of Electronic resonances in molecules adsorbed on metal surfaces: A wave packet propagation approach. J. Chem. Theory Comput. 2021, 17 (2), 639-654. DOI: 10.1021/acs.jctc.0c01031.
  2. Aguilar-Galindo, F.; Borisov, A. G.; Diaz-Tendero, S. Unveiling the anisotropic behavior of ultrafast electron transfer at the metal/organic interface. Applied Surface Science 2021, 554. DOI: 10.1016/j.apsusc.2021.149311.
  3. Aguilar-Galindo, F.; Rodriguez, R. I.; Mollari, L.; Aleman, J.; Diaz-Tendero, S. Visible-light radical-radical coupling vs. radical addition: Disentangling a mechanistic knot. Catalysts 2021, 11 (8). DOI: 10.3390/catal11080922.
  4. Alemán, J.; Mas-Balleste, R. Photocatalytic oxidation reactions mediated by covalent organic frameworks and related extended organic materials. Front. Chem. 2021, 9. DOI: 10.3389/fchem.2021.708312.
  5. Almeida-Marrero, V.; Mascaraque, M.; Vicente-Arana, M. J.; Juarranz, A.; Torres, T.; de la Escosura, A. Tuning the nanoaggregates of sialylated biohybrid photosensitizers for intracellular activation of the photodynamic response. Chem.-Eur. J. 2021, 27 (37), 9634-9642. DOI: 10.1002/chem.202100681.
  6. Alvaro-Martins, M. J.; Sanchez, J. G.; Lavarda, G.; Molina, D.; Pallares, J.; Torres, T.; Marsal, L. F.; Sastre-Santos, A. Subphthalocyanine-diketopyrrolopyrrole conjugates: 3D star-shaped systems as non-fullerene acceptors in polymer solar cells with high open-circuit voltage. ChemPlusChem 2021, 86 (10), 1360-1361. DOI: 10.1002/cplu.202100316.
  7. Ares, P.; Pakdel, S.; Palacio, I.; Paz, W. S.; Rassekh, M.; Rodriguez-San Miguel, D.; Aballe, L.; Foerster, M.; Ruiz del Arbol, N.; Angel Martin-Gago, J.; Zamora, F.; Gómez-Herrero, J.; Palacios, J. J. Few-layer antimonene electrical properties. Appl. Mater. Tod. 2021, 24. DOI: 10.1016/j.apmt.2021.101132.
  8. Ares, P.; Santos, H.; Lazic, S.; Gibaja, C.; Torres, I.; Pinilla, S.; Gomez-Herrero, J.; van der Meulen, H. P.; Garcia-Gonzalez, P.; Zamora, F. Direct visualization and effects of atomic-scale defects on the optoelectronic properties of hexagonal boron nitride. Adv. Electron. Mater. 2021, 7 (7). DOI: 10.1002/aelm.202001177.
  9. Arqueros, C.; Zamora, F.; Montoro, C. A perspective on the application of covalent organic frameworks for detection and water treatment. Nanomaterials 2021, 11 (7). DOI: 10.3390/nano11071651.
  10. Asha, H.; Green, J. A.; Martinez-Fernandez, L.; Esposito, L.; Improta, R. Electronic circular dichroism spectra of DNA quadruple helices studied by molecular dynamics simulations and excitonic calculations including charge transfer states. Molecules 2021, 26 (16). DOI: 10.3390/molecules26164789.
  11. Balanikas, E.; Martinez-Fernandez, L.; Improta, R.; Podbevsek, P.; Baldacchino, G.; Markovitsi, D. The structural duality of nucleobases in guanine quadruplexes controls their low-energy photoionization. J. Phys. Chem. Lett. 2021, 12 (34), 8309-8313. DOI: 10.1021/acs.jpclett.1c01846.
  12. Baptista, F. A.; Krizsan, D.; Stitch, M.; Sazanovich, I. V.; Clark, I. P.; Towrie, M.; Long, C.; Martinez-Fernandez, L.; Improta, R.; Kane-Maguire, N. A. P.; et al. Adenine radical cation formation by a ligand-centered excited state of an intercalated chromium polypyridyl complex leads to enhanced DNA photo-oxidation. J. Am. Chem. Soc. 2021, 143 (36), 14766-14779. DOI: 10.1021/jacs.1c06658.
  13. Barreiro-Lage, D.; Bolognesi, P.; Chiarinelli, J.; Richter, R.; Zettergren, H.; Stockett, M. H.; Carlini, L.; Diaz-Tendero, S.; Avaldi, L. “Smart decomposition” of cyclic alanine-alanine dipeptide by VUV radiation: A seed for the synthesis of biologically relevant species. J. Phys Chem. Lett. 2021, 12 (30), 7379-7386. DOI: 10.1021/acs.jpclett.1c01788.
  14. Barrio, J.; Barzilai, S.; Karjule, N.; Amo-Ochoa, P.; Zamora, F.; Shalom, M. Fluorescent carbon nitride macrostructures derived from triazine-based cocrystals. Advanced Optical Materials 2021, 9 (19). DOI: 10.1002/adom.202100683.
  15. Barzaga, R.; Leston-Sanchez, L.; Aguilar-Galindo, F.; Estevez-Hernandez, O.; Diaz-Tendero, S. Synergy effects in heavy metal ion chelation with aryl- and aroyl-substituted thiourea derivatives. Inorganic Chemistry 2021, 60 (16), 11984-12000. DOI: 10.1021/acs.inorgchem.1c01068.
  16. Bello, R. Y.; Martin, F.; Palacios, A. Attosecond laser control of photoelectron angular distributions in XUV-induced ionization of H2. Faraday Discussions 2021, 228, 378-393. DOI: 10.1039/d0fd00114g.
  17. Blanco, M.; Cembellin, S.; Agnoli, S.; Aleman, J. Ruthenium-p-cymene complex side-wall covalently bonded to carbon nanotubes as efficient hybrid transfer hydrogenation catalyst. ChemCatChem 2021, 13 (24), 5156-5165. DOI: 10.1002/cctc.202101442.
  18. Boluda, A.; Casado, C. M.; Alonso, B.; García Armada, M. P. Efficient oxidase biosensors based on bioelectrocatalytic surfaces of electrodeposited ferrocenyl polyclosiloxanes – Pt nanoparticles. Chemosensors 2021, 9 (4), 81. DOI: 10.3390/chemosensors9040081.
  19. Borzecka, W.; Pereira, P. M. R.; Fernandes, R.; Trindade, T.; Torres, T.; Tome, J. P. C. Encapsulation of glycosylated porphyrins in silica nanoparticles to enhance the efficacy of cancer photodynamic therapy. Materials Advances 2021, 2 (5). DOI: 10.1039/d0ma00830c.
  20. Bottari, G.; de la Torre, G.; Guldi, D. M.; Torres, T. An exciting twenty-year journey exploring porphyrinoid-based photo- and electro-active systems. Coordination Chemistry Reviews 2021, 428. DOI: 10.1016/j.ccr.2020.213605.
  21. Broto-Ribas, A.; Vignatti, C.; Jimenez-Almarza, A.; Luis-Barrera, J.; Dolatkhah, Z.; Gandara, F.; Imaz, I.; Mas-Balleste, R.; Aleman, J.; Maspoch, D., Heterogeneous catalysts with programmable topologies generated by reticulation of organocatalysts into metal-organic frameworks: The case of squaramide. Nano Research 2021, 14 (2), 458-465. DOI: 10.1007/s12274-020-2779-8.
  22. Bujalance, C.; Esteso, V.; Calio, L.; Lavarda, G.; Torres, T.; Feist, J.; Jose Garcia-Vidal, F.; Bottari, G.; Miguez, H. Ultrastrong exciton-photon coupling in broadband solar absorbers. Journal of Physical Chemistry Letters 2021, 12 (43), 10706-10712. DOI: 10.1021/acs.jpclett.1c02898.
  23. Cardenas, G.; Perez-Barcia, A.; Mandado, M.; Nogueira, J. J. Characterization of cisplatin/membrane interactions by QM/MM energy decomposition analysis. Physical Chemistry Chemical Physics 2021, 23 (36), 20533-20540. DOI: 10.1039/d1cp03382d.
  24. Cardenas, G.; Trentin, I.; Schwiedrzik, L.; Hernandez-Castillo, D.; Lowe, G. A.; Kund, J.; Kranz, C.; Klingler, S.; Stach, R.; Mizaikoff, B.; et al. Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst. Chem. Sci. 2021, 12 (39), 12918-12927. DOI: 10.1039/d1sc03239a.
  25. Casellas, N. M.; Albertazzi, L.; Pujals, S.; Torres, T.; Garcia-Iglesias, M. Unveiling polymerization mechanism in pH-regulated supramolecular fibers in aqueous media. Chem. Eur. J. 2021, 27 (43), 11056-11060. DOI: 10.1002/chem.202101660.
  26. Casellas, N. M.; Dai, G.; Xue, E. Y.; Fonseca, A.; Ng, D. K. P.; Garcia-Iglesias, M.; Torres, T. A self-assembled subphthalocyanine-based nanophotosensitiser for photodynamic therapy. Chemical Communications 2021. DOI: 10.1039/d1cc05977g.
  27. Chamorro, P. B.; Aparicio, F.; Chamorro, R.; Bilbao, N.; Casado, S.; Gonzalez-Rodriguez, D. Exploring the tubular self-assembly landscape of dinucleobase amphiphiles in water. Org. Chem. Front. 2021, 8 (4), 686-696. DOI: 10.1039/d0qo01110j.
  28. Corpas, J.; Mauleon, P.; Gomez Arrayas, R.; Carretero, J. C. Transition-metal-catalyzed functionalization of alkynes with organoboron reagents: New trends, mechanistic insights, and applications. Acs Catalysis 2021, 11 (12), 7513-7551. DOI: 10.1021/acscatal.1c01421.
  29. del Rio-Rodriguez, R.; Laina-Martin, V.; Fernandez-Salas, J. A.; Aleman, J. Enantioselective vinylogous Mukaiyama aldol reaction of alpha-ketoesters under bifunctional organocatalysis. Chem. Commun. 2021, 57 (88), 11665-11668. DOI: 10.1039/d1cc04263g.
  30. Delgado, J.; Lara-Astiaso, M.; Gonzalez-Vazquez, J.; Decleva, P.; Palacios, A.; Martin, F. Molecular fragmentation as a way to reveal early electron dynamics induced by attosecond pulses. Faraday Discussions 2021, 228, 349-377. DOI: 10.1039/d0fd00121j.
  31. Erdmann, E.; Aguirre, N. F.; Indrajith, S.; Chiarinelli, J.; Domaracka, A.; Rousseau, P.; Huber, B. A.; Bolognesi, P.; Richter, R.; Avaldi, L.; et al. A general approach to study molecular fragmentation and energy redistribution after an ionizing event. Phys. Chem. Chem. Phys. 2021, 23 (3), 1859-1867. DOI: 10.1039/d0cp04890a.
  32. Esteso, V.; Calio, L.; Espinos, H.; Lavarda, G.; Torres, T.; Feist, J.; Garcia-Vidal, F. J.; Bottari, G.; Miguez, H. Light-harvesting properties of a subphthalocyanine solar absorber coupled to an optical cavity. Solar RRL 2021, 5 (8). DOI: 10.1002/solr.202100308.
  33. Fabra, D.; Matesanz, A. I.; Herrero, J. M.; Alvarez, C.; Balsa, L. M.; Leon, I. E.; Quiroga, A. G. Two different thiosemicarbazone tauto-conformers coordinate to palladium (II). Stability and biological studies of the final complexes. European Journal of Inorganic Chemistry 2021, 2021 (11), 1041-1049. DOI: 10.1002/ejic.202001066.
  34. Ferreira, J. T.; Pina, J.; Ribeiro, C. A. F.; Fernandes, R.; Tome, J. P. C.; Torres, T.; Salome Rodriguez-Morgade, M. A ruthenium phthalocyanine functionalized with a folic acid unit as a photosensitizer for photodynamic therapy: Synthesis, characterization and in vitro evaluation. Journal of Porphyrins and Phthalocyanines 2021, 25 (10N12), 1193-1202. DOI: 10.1142/s1088424621501224.
  35. Franco, M.; Sainz, R.; Lamsabhi, A. M.; Diaz, C.; Tortosa, M.; Cid, M. B. Evaluation of the role of graphene-based Cu(i) catalysts in borylation reactions. Catalysis Science & Technology 2021, 11 (10), 3501-3513. DOI: 10.1039/d1cy00104c.
  36. Franco, M.; Vargas, E. L.; Tortosa, M.; Belen Cid, M. Coupling of thiols and aromatic halides promoted by diboron derived super electron donors. Chemical Communications 2021, 57 (88), 11653-11656. DOI: 10.1039/d1cc05294b.
  37. Gal, J.-F.; Maria, P.-C.; Yanez, M.; Mo, O. Enthalpies of adduct formation between boron trifluoride and selected organic bases in solution: Toward an accurate theoretical entry to Lewis basicity. Molecules 2021, 26 (21). DOI: 10.3390/molecules26216659.
  38. Gibaja, C.; Rodriguez-San-Miguel, D.; Paz, W. S.; Torres, I.; Salagre, E.; Segovia, P.; Michel, E. G.; Assebban, M.; Ares, P.; Hernandez-Maldonado, D.; et al. Exfoliation of alpha-germanium: A covalent diamond-like structure. Advanced Materials 2021, 33 (10). DOI: 10.1002/adma.202006826.
  39. González-Muñoz, D.; Martin-Somer, A.; Strobl, K.; Cabrera, S.; De Pablo, P. J.; Diaz-Tendero, S.; Blanco, M.; Aleman, J. Enhancing visible-light photocatalysis via endohedral functionalization of single-walled carbon nanotubes with organic dyes. ACS Applied Materials & Interfaces 2021, 13 (21), 24877-24886. DOI: 10.1021/acsami.1c04679.
  40. Granato, A. S.; Amarante, G. W.; Adrio, J. Metal-free solvent promoted oxidation of benzylic secondary amines to nitrones with H2O2. Journal of Organic Chemistry 2021, 86 (19), 13817-13823. DOI: 10.1021/acs.joc.1c01888.
  41. Granato, A. S.; Carvalho, G. S. G. d.; Fonseca, C. G.; Adrio, J.; Leita, A. A.; Amarante, G. W. On the mixed oxides-supported niobium catalyst towards benzylamine oxidation. Catalysis Today 2021, 381, 118-125. DOI: 10.1016/j.cattod.2020.08.011.
  42. Grifoni, F.; Bonomo, M.; Naim, W.; Barbero, N.; Alnasser, T.; Dzeba, I.; Giordano, M.; Tsaturyan, A.; Urbani, M.; Torres, T.; et al. Toward sustainable, colorless, and transparent photovoltaics: State of the art and perspectives for the development of selective near-infrared dye-sensitized solar cells. Advanced Energy Materials 2021, 11 (43). DOI: 10.1002/aenm.202101598.
  43. Guerra, C.; Kumar, S.; Aguilar-Galindo, F.; Diaz-Tendero, S.; Lozano, A. I.; Mendes, M.; Limao-Vieira, P.; Garcia, G. Unexpected benzene oxidation in collisions with superoxide anions. Scientific Reports 2021, 11 (1). DOI: 10.1038/s41598-021-02408-7.
  44. Guerrero-Corella, A.; Valle-Amores, M. A.; Fraile, A.; Aleman, J. Enantioselective organocatalyzed aza-Michael Addition reaction of 2-hydroxybenzophenone imines to nitroolefins under batch and flow conditions. Advanced Synthesis & Catalysis 2021, 363 (15), 3845-3851. DOI: 10.1002/adsc.202100635.
  45. Guerrero-Esteban, T.; Gutierrez-Sanchez, C.; Garcia-Mendiola, T.; Revenga-Parra, M.; Pariente, F.; Lorenzo, E. Bifunctional carbon nanodots for highly sensitive HER2 determination based on electrochemiluminescence. Sensors and Actuators B-Chemical 2021, 343. DOI: 10.1016/j.snb.2021.130096.
  46. Guerrero-Esteban, T.; Gutierrez-Sanchez, C.; Martinez-Perinan, E.; Revenga-Parra, M.; Pariente, F.; Lorenzo, E. Sensitive glyphosate electrochemiluminescence immunosensor based on electrografted carbon nanodots. Sensors and Actuators B-Chemical 2021, 330. DOI: 10.1016/j.snb.2020.129389.
  47. Gutierrez-Galvez, L.; Garcia-Mendiola, T.; Gutierrez-Sanchez, C.; Guerrero-Esteban, T.; Garcia-Diego, C.; Buendia, I.; Laura Garcia-Bermejo, M.; Pariente, F.; Lorenzo, E. Carbon nanodot-based electrogenerated chemiluminescence biosensor for miRNA-21 detection. Microchimica Acta 2021, 188 (11). DOI: 10.1007/s00604-021-05038-y.
  48. Guzel, E.; Medina, D.-P.; Medel, M.; Kandaz, M.; Torres, T.; Rodriguez-Morgade, M. S. A versatile, divergent route for the synthesis of ABAC tetraazaporphyrins: molecularly engineered, push-pull phthalocyanine-type dyes. Journal of Materials Chemistry C 2021, 9 (33), 10802-10810. DOI: 10.1039/d1tc00990g.
  49. Halaskova, M.; Rahali, A.; Almeida-Marrero, V.; Machacek, M.; Kucera, R.; Jamoussi, B.; Torres, T.; Novakova, V.; de la Escosura, A.; Zimcik, P. Peripherally crowded cationic phthalocyanines as efficient photosensitizers for photodynamic therapy. ACS Medicinal Chemistry Letters 2021, 12 (3), 502-507. DOI: 10.1021/acsmedchemlett.1c00045.
  50. I-Ting, T.; Montero-Campillo, M. M.; Alkorta, I.; Elguero, J.; Yanez, M. Large stabilization effects by intramolecular beryllium bonds in ortho-benzene derivatives. Molecules 2021, 26 (11). DOI: 10.3390/molecules26113401.
  51. Ibrahimova, V.; Gonzalez-Delgado, J. A.; Leveque, M.; Torres, T.; Garanger, E.; Lecommandoux, S. Photooxidation responsive elastin-like polypeptide conjugates for photodynamic therapy application. Bioconjugate Chemistry 2021, 32 (8), 1719-1728. DOI: 10.1021/acs.bioconjchem.1c00251.
  52. Ince, M.; Kuboi, R.; Ince, T.; Yoshimura, K.; Motoyoshi, D.; Sonobe, M.; Kudo, R.; Mori, S.; Kimura, M.; Torres, T. The effect of bulky electron-donating thioether substituents on the performances of phthalocyanine based dye sensitized solar cells. Sustainable Energy & Fuels 2021, 5 (2), 584-589. DOI: 10.1039/d0se01277g.
  53. Jimenez-Almarza, A.; Lopez-Magano, A.; Cano, R.; Ortin-Rubio, B.; Diaz-Garcia, D.; Gomez-Ruiz, S.; Imaz, I.; Maspoch, D.; Mas-Balleste, R.; Aleman, J. Engineering covalent organic frameworks in the modulation of photocatalytic degradation of pollutants under visible light conditions. Materials Today Chemistry 2021, 22. DOI: 10.1016/j.mtchem.2021.100548.
  54. Kamel, E. M.; Lamsabhi, A. M. Water biocatalytic effect attenuates cytochrome P450-mediated carcinogenicity of diethylnitrosamine: A computational insight. Organic & Biomolecular Chemistry 2021, 19 (41), 9031-9042. DOI: 10.1039/d1ob01439k.
  55. Kaur, K.; Humbrias-Martin, J.; Hoppmann, L.; Fernandez-Salas, J. A.; Daniliuc, C. G.; Aleman, J.; Garcia Mancheno, O. Enantioselective vinylogous-Mukaiyama-type dearomatisation by anion-binding catalysis. Chemical Communications 2021, 57 (73), 9244-9247. DOI: 10.1039/d1cc03514b.
  56. Kim-Lee, S.-H.; Mauleon, P.; Gomez Arrayas, R.; Carretero, J. C. Dynamic multiligand catalysis: A polar to radical crossover strategy expands alkyne carboboration to unactivated secondary alkyl halides. Chem 2021, 7 (8), 2212-2226. DOI: 10.1016/j.chempr.2021.06.002.
  57. Labella, J.; Momblona, C.; Klipfel, N.; Kanda, H.; Kinge, S.; Nazeeruddin, M. K.; Torres, T. Subphthalocyanine-based electron-transport materials for perovskite solar cells. Journal of Materials Chemistry C 2021, 9 (45), 16298-16303. DOI: 10.1039/d1tc02600c.
  58. Laina-Martin, V.; Fernandez-Salas, J. A.; Aleman, J. Organocatalytic strategies for the development of the enantioselective inverse-electron-demand hetero-Diels-Alder reaction. Chemistry-A European Journal 2021, 27 (49), 12509-12520. DOI: 10.1002/chem.202101696.
  59. Laina-Martin, V.; Humbrias-Martin, J.; Mas-Balleste, R.; Fernandez-Salas, J. A.; Aleman, J. Enantioselective inverse-electron demand aza-Diels-Alder reaction: ipso,alpha-selectivity of silyl dienol ethers. ACS Catalysis 2021, 11 (19), 12133-12145. DOI: 10.1021/acscatal.1c03390.
  60. Lamsabhi, A. M.; Mo, O.; Yanez, M. Perturbating intramolecular hydrogen bonds through substituent effects or non-covalent interactions. Molecules 2021, 26 (12). DOI: 10.3390/molecules26123556.
  61. Lazaro-Milla, C.; Quiros, M. T.; Cardenas, D. J.; Almendros, P. Pd-catalyzed C(sp(3))-C(sp) bond formation in iodocyclobutenes. Chemical Communications 2021, 57 (68), 8456-8459. DOI: 10.1039/d1cc03087f.
  62. Lopez, J.; Gonzalez Platas, J.; Ruyman Rodriguez-Mendoza, U.; Martinez, J. I.; Delgado, S.; Lifante-Pedrola, G.; Cantelar, E.; Guerrero-Lemus, R.; Hernandez-Rodriguez, C.; Amo-Ochoa, P. Cu(I)-I-2,4-diaminopyrimidine coordination polymers with optoelectronic properties as a proof of concept for solar cells. Inorganic Chemistry 2021, 60 (2), 1209-1220. DOI: 10.1021/acs.inorgchem.0c03347.
  63. Lopez, J.; Murillo, M.; Lifante-Pedrola, G.; Cantelar, E.; Gonzalez-Platas, J.; Rodriguez-Mendoza, U. R.; Amo-Ochoa, P. Multi-stimulus semiconductor Cu(i)-I-pyrimidine coordination polymer with thermo- and mechanochromic sensing. Crystengcomm 2022, 24 (2), 341-349. DOI: 10.1039/d1ce01315g.
  64. Lopez-Magano, A.; Mas-Balleste, R.; Aleman, J. Predesigned covalent organic frameworks as effective platforms for Pd(II) coordination enabling cross-coupling reactions under sustainable conditions. Advanced Sustainable Systems 2021. DOI: 10.1002/adsu.202100409.
  65. Lopez-Magano, A.; Ortin-Rubio, B.; Imaz, I.; Maspoch, D.; Alemán, J.; Mas-Balleste, R. Photoredox heterobimetallic dual catalysis using engineered covalent organic frameworks. ACS Catalysis 2021, 11 (19), 12344-12354. DOI: 10.1021/acscatal.1c03634.
  66. Maldonado, N.; Amo-Ochoa, P. Advances and novel perspectives on colloids, hydrogels, and aerogels based on coordination bonds with biological interest ligands. Nanomaterials 2021, 11 (7). DOI: 10.3390/nano11071865.
  67. Maldonado, N.; Amo-Ochoa, P. The role of coordination compounds in virus research. Different approaches and trends. Dalton Transactions 2021, 50 (7), 2310-2323. DOI: 10.1039/d0dt04066e.
  68. Martin-Arroyo, M.; Castells-Gil, J.; Bilbao, N.; Almora-Barrios, N.; Marti-Gastaldo, C.; Gonzalez-Rodriguez, D. Crystalline supramolecular organic frameworks via hydrogen-bonding between nucleobases. Chemical Communications 2021, 57 (13), 1659-1662. DOI: 10.1039/d0cc07707k.
  69. Martin-Illan, J. A.; Rodriguez-San-Miguel, D.; Castillo, O.; Beobide, G.; Perez-Carvajal, J.; Imaz, I.; Maspoch, D.; Zamora, F. Macroscopic ultralight aerogel monoliths of imine-based covalent organic frameworks. Angewandte Chemie-International Edition 2021, 60 (25), 13969-13977. DOI: 10.1002/anie.202100881.
  70. Martinez Mingo, M.; Rodriguez, N.; Gomez Arrayas, R.; Carretero, J. C. Remote C(sp(3))-H functionalization via catalytic cyclometallation: beyond five-membered ring metallacycle intermediates. Organic Chemistry Frontiers 2021, 8 (17), 4914-4946. DOI: 10.1039/d1qo00389e.
  71. Martinez-Edo, G.; Xue, E. Y.; Ha, S. Y. Y.; Ponton, I.; Antonio Gonzalez-Delgado, J.; Borros, S.; Torres, T.; Ng, D. K. P.; Sanchez-Garcia, D. Nanoparticles for Triple Drug Release for Combined Chemo- and Photodynamic Therapy. Chemistry-A European Journal 2021, 27 (59), 14610-14618. DOI: 10.1002/chem.202101842.
  72. Martinez-Gualda, A. M.; Domingo-Legarda, P.; Rigotti, T.; Diaz-Tendero, S.; Fraile, A.; Aleman, J. Asymmetric 2+2 photocycloaddition via charge transfer complex for the synthesis of tricyclic chiral ethers. Chemical Communications 2021, 57 (24), 3046-3049. DOI: 10.1039/d1cc00035g.
  73. Martinez-Mingo, M.; Alonso, I.; Rodriguez, N.; Gomez Arrayas, R.; Carretero, J. C. Mechanistic understanding enables chemoselective sp(3) over sp(2) C-H activation in Pd-catalyzed carbonylative cyclization of amino acids. Catalysis Science & Technology 2021, 11 (4), 1590-1601. DOI: 10.1039/d0cy02328k.
  74. Martinez-Mingo, M.; Garcia-Viada, A.; Alonso, I.; Rodriguez, N.; Arrayas, R. G.; Carretero, J. C. Overcoming the necessity of gamma-substitution in (delta-C(sp(3))-H arylation: Pd-catalyzed derivatization of alpha-amino acids. ACS Catalysis 2021, 11 (9), 5310-5317. DOI: 10.1021/acscatal.1c00250.
  75. Martinez-Perinan, E.; Garcia-Mendiola, T.; Enebral-Romero, E.; del Cano, R.; Vera-Hidalgo, M.; Vazquez Sulleiro, M.; Navio, C.; Pariente, F.; Perez, E. M.; Lorenzo, E. A MoS2 platform and thionine-carbon nanodots for sensitive and selective detection of pathogens. Biosensors & Bioelectronics 2021, 189. DOI: 10.1016/j.bios.2021.113375.
  76. Martini, L.; Boll, D. I. R.; Palacios, A.; Fojon, O. A. Different approximations in the polarization control of two-color water molecule ionization. Journal of Physics B-Atomic Molecular and Optical Physics 2021, 54 (13). DOI: 10.1088/1361-6455/abfc67.
  77. Mateo, L. M.; Sagresti, L.; Luo, Y.; Guldi, D. M.; Torres, T.; Brancato, G.; Bottari, G. Expanding the chemical space of tetracyanobuta-1,3-diene (TCBD) through a cyano-Diels-Alder reaction: Synthesis, structure, and physicochemical properties of an anthryl-fused-TCBD derivative. Chemistry-a European Journal 2021, 27 (64), 16049-16055. DOI: 10.1002/chem.202103079.
  78. Mateo, L. M.; Sun, Q.; Eimre, K.; Pignedoli, C. A.; Torres, T.; Fasel, R.; Bottari, G. On-surface synthesis of singly and doubly porphyrin-capped graphene nanoribbon segments. Chem. Sci. 2021, 12 (1), 247-252. DOI: 10.1039/d0sc04316h.
  79. Matesanz, A. I.; Herrero, J. M.; Quiroga, A. G. Chemical and biological evaluation of thiosemicarbazone-bearing heterocyclic metal complexes. Current Topics in Medicinal Chemistry 2021, 21 (1), 59-72. DOI: 10.2174/1568026620666201022144004.
  80. Merced Montero-Campillo, M.; Alkorta, I.; Mo, O.; Elguero, J.; Yanez, M. Clustering of electron deficient B- and Be-containing analogues: In the fight for tetracoordination, beryllium takes the lead. European Journal of Inorganic Chemistry 2021, 2021 (42), 4393-4401. DOI: 10.1002/ejic.202100737.
  81. Mishra, D.; Reino-Gonzalez, J.; Obaid, R.; LaForge, A. C.; Diaz-Tendero, S.; Martin, F.; Berrah, N. Ultrafast molecular dynamics in ionized 1-and 2-propanol: from simple fragmentation to complex isomerization and roaming mechanisms. Physical Chemistry Chemical Physics 2021, 24 (1), 433-443. DOI: 10.1039/d1cp04011a.
  82. Nazarov, D. I.; Islyaikin, M. K.; Ivanov, E. N.; Koifman, O. I.; Batov, M. S.; Zorina, L. V.; Khasanov, S. S.; Shestakov, A. F.; Yudanova, E. I.; Zhabanov, Y. A.; Vyalkin, D. A.; Otsuka, A.; Yamochi, H.; Kitagawa, H.; Torres, T.; Konarev, D. V. Dianionic states of trithiadodecaazahexaphyrin complexes with homotrinuclear (M3O)-O-II clusters (M = Ni and Cu): Crystal structures, metal- or macrocycle-centered reduction, and doublet-quartet transitions in the dianions. Inorganic Chemistry 2021, 60 (13), 9857-9868. DOI: 10.1021/acs.inorgchem.1c01132.
  83. Novoa, L.; Trulli, L.; Fernandez, I.; Parra, A.; Tortosa, M. Regioselective monoborylation of spirocyclobutenes. Organic Letters 2021, 23 (19), 7434-7438. DOI: 10.1021/acs.orglett.1c02645.
  84. Novoa, L.; Trulli, L.; Parra, A.; Tortosa, M. Stereoselective diboration of spirocyclobutenes: A platform for the synthesis of spirocycles with orthogonal exit vectors. Angewandte Chemie-International Edition 2021, 60 (21), 11763-11768. DOI: 10.1002/anie.202101445.
  85. Ota, F.; Abe, S.; Hatada, K.; Ueda, K.; Diaz-Tendero, S.; Martin, F. Imaging intramolecular hydrogen migration with time- and momentum-resolved photoelectron diffraction. Physical Chemistry Chemical Physics 2021, 23 (36), 20174-20182. DOI: 10.1039/d1cp02055b.
  86. Palmisano, V. F.; Gomez-Rodellar, C.; Pollak, H.; Cardenas, G.; Corry, B.; Faraji, S.; Nogueira, J. J. Binding of azobenzene and p-diaminoazobenzene to the human voltage-gated sodium channel Na(v)1.4. Physical Chemistry Chemical Physics 2021, 23 (5), 3552-3564. DOI: 10.1039/d0cp06140a.
  87. Paramio, I.; Torres, T.; de la Torre, G. Self-assembled porphyrinoids: One-component nanostructured photomedicines. ChemMedChem 2021, 16 (16), 2441-2451. DOI: 10.1002/cmdc.202100201.
  88. Pascual-Escudero, A.; Ortiz-Rojano, L.; Simon-Fuente, S.; Adrio, J.; Ribagorda, M. Aldehydes as photoremovable directing groups: Synthesis of pyrazoles by a photocatalyzed 3+2 cycloaddition/Norrish type fragmentation sequence. Organic Letters 2021, 23 (12), 4903-4908. DOI: 10.1021/acs.orglett.1c01665.
  89. Pisarra, M.; Diaz, C.; Martin, F. Theoretical study of structural and electronic properties of 2H-phase transition metal dichalcogenides. Physical Review B 2021, 103 (19). DOI: 10.1103/PhysRevB.103.195416.
  90. Pla, P.; Dubosq, C.; Rapacioli, M.; Posenitskiy, E.; Alcami, M.; Simon, A. Hydrogenation of C-24 carbon clusters: Structural diversity and energetic properties. Journal of Physical Chemistry A 2021, 125 (24), 5273-5288. DOI: 10.1021/acs.jpca.1c02359.
  91. Quiros, M. T.; Collado-Sanz, D.; Bunuel, E.; Cardenas, D. J. On the mechanism of the formation of alkyl-Ni(i) catalysts. Chemical Communications 2021, 57 (19), 2424-2427. DOI: 10.1039/d1cc00203a.
  92. Rahali, A.; Shaukat, A.; Almeida-Marrero, V.; Jamoussi, B.; de la Escosura, A.; Torres, T.; Kostiainen, M. A.; Anaya-Plaza, E. A Janus-type phthalocyanine for the assembly of photoactive DNA Origami coatings. Bioconjugate Chemistry 2021, 32 (6), 1123-1129. DOI: 10.1021/acs.bioconjchem.1c00176.
  93. Revuelta-Maza, M. A.; de las Heras, E.; Agut, M.; Nonell, S.; Torres, T.; de la Torre, G. Self-assembled binaphthyl-bridged amphiphilic AABB phthalocyanines: Nanostructures for efficient antimicrobial photodynamic therapy. Chemistry-a European Journal 2021, 27 (15), 4955-4963. DOI: 10.1002/chem.202005060.
  94. Romeo-Gella, F.; Corral, I.; Faraji, S. Theoretical investigation of a novel xylene-based light-driven unidirectional molecular motor. Journal of Chemical Physics 2021, 154 (6). DOI: 10.1063/5.0038281.
  95. Romeo-Gella, F.; Arpa, E. M.; Corral, I. A molecular insight into the photophysics of barbituric acid, a candidate for canonical nucleobases’ ancestor. Physical Chemistry Chemical Physics 2021. DOI: 10.1039/d1cp04987a.
  96. Rousseau, P.; Gonzalez-Vazquez, J.; Piekarski, D. G.; Kopyra, J.; Domaracka, A.; Alcami, M.; Adoui, L.; Huber, B. A.; Diaz-Tendero, S.; Martin, F. Timing of charge migration in betaine by impact of fast atomic ions. Science Advances 2021, 7 (40). DOI: 10.1126/sciadv.abg9080.
  97. Ruano, L.; Cardenas, G.; Nogueira, J. J. The permeation mechanism of cisplatin through a dioleoylphosphocholine bilayer. ChemPhysChem 2021, 22 (12), 1251-1261. DOI: 10.1002/cphc.202100059.
  98. Salvador, P.; Vos, E.; Corral, I.; Andrada, D. M. Beyond the classical electron-sharing and dative bond picture: the case of spin-polarized bond. Angew. Chem. Int. Edit. 2021, 60 (3), 1498-1502. DOI: 10.1002/anie.202010948.
  99. Santoro, F.; Green, J. A.; Martinez-Fernandez, L.; Cerezo, J.; Improta, R. Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives. Phys. Chem. Chem. Phys. 2021, 23 (14), 8181-8199. DOI: 10.1039/d0cp05907b.
  100. Sicignano, M.; Rodriguez, R. I.; Aleman, J. Recent visible light and metal free strategies in 2+2 and 4+2 photocycloadditions. Eur. J. Org. Chem. 2021, 2021 (22), 3303-3321. DOI: 10.1002/ejoc.202100518.
  101. Sopena, A.; Bachau, H.; Catoire, F.; Martin, F.; Palacios, A. Selecting two-photon sequential ionization pathways in H-2 through harmonic filtering. Phys. Chem. Chem. Phys. 2021, 23 (39), 22395-22403. DOI: 10.1039/d1cp03449a.
  102. Sopena, A.; Palacios, A.; Catoire, F.; Bachau, H.; Martin, F. Angle-dependent interferences in electron emission accompanying stimulated Compton scattering from molecules. Commun. Phys. 2021, 4 (1). DOI: 10.1038/s42005-021-00749-3.
  103. Sun, Q.; Mateo, L. M.; Robles, R.; Lorente, N.; Ruffieux, P.; Bottari, G.; Torres, T.; Fasel, R. Bottom-up fabrication and atomic-scale characterization of triply linked, laterally pi-extended porphyrin nanotapes. Angewandte Chemie-International Edition 2021, 60 (29), 16208-16214. DOI: 10.1002/anie.202105350.
  104. Szabo, P. B.; Sabanes Zariquiey, F.; Nogueira, J. J. Cosolvent and dynamic effects in binding pocket search by docking simulations. Journal of Chemical Information and Modeling 2021, 61 (11), 5508-5523. DOI: 10.1021/acs.jcim.1c00924.
  105. Tejerina, L.; Labella, J.; Martinez-Fernandez, L.; Corral, I.; Victoria Martinez-Diaz, M.; Torres, T. Subphthalocyaninato boron(III) hydride: Synthesis, structure and reactivity. Chemistry-A European Journal 2021, 27 (47), 12058-12062. DOI: 10.1002/chem.202101991.
  106. Teresa Gonzalez, M.; Ismael, A. K.; Garcia-Iglesias, M.; Leary, E.; Rubio-Bollinger, G.; Grace, I.; Gonzalez-Rodriguez, D.; Torres, T.; Lambert, C. J.; Agrait, N. Interference controls conductance in phthalocyanine molecular junctions. Journal of Physical Chemistry C 2021, 125 (27), 15035-15043. DOI: 10.1021/acs.jpcc.1c03290.
  107. Torres, I.; Alcaraz, M.; Sanchis-Gual, R.; Carrasco, J. A.; Fickert, M.; Assebban, M.; Gibaja, C.; Dolle, C.; Aldave, D. A.; Gomez-Navarro, C.; Salagre, E.; García Michel, E.; Varela, M.; Gómez-Herrero, J.; Abellán, G.; Zamora, F. Continuous-flow synthesis of high-quality few-layer antimonene hexagons. Adv. Funct. Mater. 2021, 31 (28). DOI: 10.1002/adfm.202101616.
  108. Vazquez-Gonzalez, V.; Mayoral, M. J.; Aparicio, F.; Martinez-Arjona, P.; Gonzalez-Rodriguez, D. The role of peripheral amide groups as hydrogen-bonding directors in the tubular self-assembly of dinucleobase monomers. ChemPlusChem 2021, 86 (8), 1087-1096. DOI: 10.1002/cplu.202100255.
  109. Villa-Manso, A. M.; Revenga-Parra, M.; Vera-Hidalgo, M.; Vazquez Sulleiro, M.; Perez, E. M.; Lorenzo, E.; Pariente, F. 2D MoS2 nanosheets and hematein complexes deposited on screen-printed graphene electrodes as an efficient electrocatalytic sensor for detecting hydrazine. Sensor Actuat B-Chem. 2021, 345. DOI: 10.1016/j.snb.2021.130385.
  110. Vos, E.; Corral, I.; Montero-Campillo, M. M.; Mo, O. Significant bonding rearrangements triggered by Mg4 clusters. J. Chem. Phys. 2021, 154 (4). DOI: 10.1063/5.0038047.
  111. Vos, E.; Corral, I.; Montero-Campillo, M. M.; Mo, O.; Elguero, J.; Alkorta, I.; Yáñez, M. Spontaneous bond dissociation cascades induced by Ben clusters (n=2,4). Phys. Chem. Chem. Phys. 2021, 23 (11), 6448-6454. DOI: 10.1039/d0cp06009g.
  112. Wang, X.; Martinez-Fernandez, L.; Zhang, Y.; Zhang, K.; Improta, R.; Kohler, B.; Xu, J.; Chen, J. Solvent-dependent stabilization of a charge transfer state is the key to ultrafast triplet state formation in an epigenetic DNA nucleoside. Chem.-Eur. J. 2021, 27 (42), 10932-10940. DOI: 10.1002/chem.202100787.
  113. Zettergren, H.; Domaracka, A.; Schlathoelter, T.; Bolognesi, P.; Diaz-Tendero, S.; Labuda, M.; Tosic, S.; Maclot, S.; Johnsson, P.; Steber, A.; et al. Roadmap on dynamics of molecules and clusters in the gas phase. Eur. Phys. J. D 2021, 75 (5). DOI: 10.1140/epjd/s10053-021-00155-y.
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