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Results: 92

Sunatda Arayachukiat, Prapussorn Yingcharoen, Sai V. C. Vummaleti, Luigi Cavallo, Albert Poater, Valerio D’Elia
Cycloaddition of CO2 to challenging N-tosyl aziridines using a halogen-free niobium complex: Catalytic activity and mechanistic insights
Molecular Catalysis, 2017, 443, 280-285
DOI: 10.1016/j.mcat.2017.10.023
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Anna D. Cirac, Maria Torné, Esther Badosa, Emilio Montesinos, Pedro Salvador, Lidia Feliu, Marta Planas
Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198
Molecules, 2017, 22, 1054
DOI: 10.3390/molecules22071054

Cristina Camó, Maria Torné, Emili Besalú, Cristina Rosés, Anna D. Cirac, Gemma Moiset, Esther Badosa, Eduard Bardají, Emilio Montesinos, Marta Planas, Lidia Feliu
Tryptophan-Containing Cyclic Decapeptides with Activity against Plant Pathogenic Bacteria
Molecules, 2017, 22, 1817
DOI: 10.3390/molecules22111817
Keywords: Predictive Chemistry

Alejandro Vásquez-Espinal, Jordi Poater, Miquel Solà, William Tiznado, Rafael Islas
Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues
New J. Chem., 2017, 41, 1168-1178
DOI: 10.1039/C6NJ02972H

N. N. Adarsh, Amarnath Chakraborty, Màrius Tarrés, Surjendu Dey, Fernando Novio, Basab Chattopadhyay, Xavi Ribas, Daniel Ruiz-Molina
Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage
New J. Chem., 2017, 41, 1179-1185
DOI: 10.1039/C6NJ03456J

Alfonso Polo, J. Duran, R. Juanola, J. Real, J. Benet-Buchholz, Miquel Solà, Albert Poater
Tuning diastereoisomerism in platinum(II) phosphino- and aminothiolato hydrido complexes
New J. Chem., 2017, 41, 3015-3028
DOI: 10.1039/C6NJ04042J

Miguel A. Maria-Solano, Adrian Romero-Rivera, Sílvia Osuna
Exploring the reversal of enantioselectivity on a zinc-dependent alcohol dehydrogenase
Org. Biomol. Chem., 2017, 15, 4122-4129
DOI: 10.1039/C7OB00482F

Èric Casals-Cruañas, Oscar F. González-Belman, Pau Besalú-Sala, David J. Nelson, Albert Poater
The preference for dual-gold(I) catalysis in the hydro(alkoxylation vs. phenoxylation) of alkynes
Org. Biomol. Chem., 2017, 15, 6416-6425
DOI: 10.1039/C7OB01457K

S. Stepanović, Davide Angelone, M. Gruden, Marcel Swart
The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2
Org. Biomol. Chem., 2017, 15, 7860-7868
DOI: 10.1039/c7ob01814b

Eila Serrano-Hervás, Marc Garcia-Borràs, Sílvia Osuna
Exploring the origins of selectivity in soluble epoxide hydrolase from Bacillus megaterium
Org. Biomol. Chem., 2017, 15, 8827-8835
DOI: 10.1039/C7OB01847A
Keywords: Catalysis, Computational chemistry, Enzyme design, Reaction mechanisms


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