Publications
176. Host−Guest Dynamic Behavior of Melatonin Encapsulated in β‑Cyclodextrin Nanosponges Host−Guest Dynamic Behavior of Melatonin Encapsulated in β‑Cyclodextrin Nanosponges. R. Ferrero, S. Pantaleone, V. Brunella, M. Corno, G. Jiménez-Osés,* F. Peccati.*
ACS Omega 2025, 10, 4660–4669. DOI: 10.1021/acsomega.4c09367.
175. Doublet Spin State Mediated Photoluminescence Upconversion in Organic Radical Donor-Triplet Acceptor Dyads. J. M. O’Shea, Y. Ju, Yun Abdelqader, M. Jamhawi, F. Peccati, G. Jiménez-Osés,* A. Jean-Luc Ayitou*. J. Am. Chem. Soc. 2025, 147, 1017–1027. DOI: 10.1021/jacs.4c14303.
174. Mechanistic Insights into Chloride-Dependent Uncaging Reaction of Propargyl and Allene-Protected Substrates by Pd-Complexes. T. M. Ferreira, C. D. Navo, J. P. Agnes, F. Cardozo, D. C. de Oliveira, A. Zanotto-Filho, G. Jiménez-Osés,* J. B. Domingos.* Chem. Eur. J. 2025, e202403987. DOI: 10.1002/chem.202403987.
173. Exploring Glycan-Lectin Interactions in Natural-Like Environments: A View Using NMR Experiments Inside Cell and on Cell Surface. S. Bertuzzi, M. G. Lete, A. Franconetti, T. Diercks, S. Delgado, I. Oyenarte, M. J. Moure, R. Núñez-Franco, P. Valverde, M. P. Lenza, K. Sobczak, G. Jiménez-Osés, J. C. Paulson, A. Ardá,* J. Ereño-Orbea,* J. Jiménez-Barbero.* Chem. Eur. J. 2024, e202403102. DOI: 10.1002/chem.202403102.
172. AlphaFold2 Predicts Alternative Conformation Populations in Green Fluorescent Protein Variants. R. Núñez-Franco, M. M. Muriel-Olaya, G. Jiménez-Osés, F. Peccati.* J. Chem. Inf. Model. 2024, 64, 7135−7140. DOI: 10.1021/acs.jcim.4c01388.
171. Unveiling the GT114 family: Structural characterization of A075L, a glycosyltransferase from Paramecium bursaria chlorella virus-1 (PBCV-1). M. E. Laugieri, I. Speciale, A. Gimeno, S. Lin, B. W. Byers, A. Poveda, R. Núñez-Franco, I. Iturrioz, M. J. Moure, G. Jiménez-Osés, I. Russo-Krauss, A. Notaro, J. L. Van Etten, T. L. Lowary, J. Jimenez-Barbero, C. De Castro,* M. Tonetti,* A. L. Rojas.* Prot. Sci. 2024, 33, e5196. DOI: 10.1002/pro.5196.
170. Gold(III)-Induced Amide Bond Cleavage In Vivo: A Dual Release Strategy via π‑Acid Mediated Allyl Substitution. V. B. Unnikrishnan, V. Sabatino, F. Amorim, M. F. Estrada, C. D. Navo, G. Jiménez-Osés, R. Fior, G. J. L. Bernardes.* J. Am. Chem. Soc. 2024, 146, 23240−23251. DOI: 10.1021/jacs.4c05582.
169. Different roles of the heterodimer architecture of galectin-4 in selective recognition of oligosaccharides and lipopolysaccharides having ABH antigens. J. I. Quintana, M. Massaro, A. J. Cagnoni, R. Núñez-Franco, S. Delgado, G. Jiménez-Osés, K. V. Mariño, G. A. Rabinovich, J. Jiménez-Barbero,* A. Ardá.* J. Biol. Chem. 2024, 300, 107577. DOI: 10.1016/j.jbc.2024.107577.
168. Enriching productive mutational paths accelerates enzyme evolution. D. Patsch, T. Schwander, M. Voss, D. Schaub, S. Hüppi, M. Eichenberger, P. Stockinger, L. Schelbert, S. Giger, F. Peccati, G. Jiménez-Osés, M. Mutný, A. Krause, U. T. Bornscheuer, D. Hilvert, R. M. Buller.* Nat. Chem. Biol. 2024, 20, 1662–1669. DOI: 10.1038/s41589-024-01712-3.
167. Darobactin Substrate Engineering and Computation Show Radical Stability Governs Ether versus C−C Bond Formation.
A. M. Woodard, F. Peccati, C. D. Navo, G. Jiménez-Osés, D. A. Mitchell.* J. Am. Chem. Soc. 2024, 146, 14328−14340. DOI: 10.1021/jacs.4c03994.
166. Interplay Between Substrate Polarity and Protein Dynamics in Evolved Kemp Eliminases. F. Peccati, E. L. Noey, K. N. Houk, S. Osuna, G. Jiménez-Osés,* ChemCatChem 2024, 16, e202400444. DOI: 10.1002/cctc.202400444.
165. Interplay of chloride levels and palladium(II)-catalyzed O-deallenylation bioorthogonal uncaging reactions. G. M. Dal Forno, E. Latocheski, C. D. Navo, B. L. Albuquerque, A. L. St John, F. Avenier, G. Jiménez-Osés, J. B. Domingos.* Chem. Sci. 2024, 15, 4458−4465. DOI: 10.1039/D3SC06408E.
164. A Protein Misfolding Shaking Amplification-based method for the spontaneous generation of hundreds of bona fide prions. H. Eraña, C. Sampedro-Torres-Quevedo, J. M. Charco, C. M. Díaz-Domínguez, F. Peccati, M. San-Juan-Ansoleaga, E. Vidal, N. Gonçalves-Anjo, M. A. Pérez-Castro, E. González-Miranda, P. Piñeiro, L. Fernández-Veiga, J. Galarza-Ahumada, E. Fernández-Muñoz, G. Perez de Nanclares, G. Telling, M. Geijo, G. Jiménez-Osés, J. Castilla. Nat. Commun. 2024, 15, 2112. DOI: 10.1038/s41467-024-46360-2.
163. Improving Protein Expression, Stability, and Function with ProteinMPNN. K. H. Sumida, R. Núñez-Franco, I. Kalvet, S. J. Pellock, B. I. M. Wicky, L. F. Milles, J. Dauparas, J. Wang, Y. Kipnis, N. Jameson, A. Kang, J. De La Cruz, B. Sankaran, A. K. Bera, G. Jiménez-Osés, D. Baker.* J. Am. Chem. Soc. 2024, 146, 2054−2061. DOI: 10.1021/jacs.3c10941.
162. Experimental and Theoretical Analysis of the Thiol-Promoted Fragmentation of 2‑Halo-3-tosyl-oxanorbornadienes. M. Carranza, A. T. Carmona, C. D. Navo, I. Robina, S. Fratta, C. Newburn, G. Jiménez-Osés,* A. J. Moreno-Vargas* Org. Lett. 2023, 25, 7481−7485. DOI: 10.1021/acs.orglett.3c02548.
161. Merging the isonitrile-tetrazine (4+1) cycloaddition and the Ugi four-components reaction into a single multicomponent process. Y. Méndez, A. V. Vasco, G. Ivey, A. Laura Dias, P. Gierth, B. B. Sousa, C. D. Navo, A. Torres-Mozas, T. Rodrigues, G. Jiménez-Osés, Gonçalo J. L. Bernardes. Angew. Chem. Int. Ed. 2023, 62, e202311186. DOI: 10.1002/anie.202311186.
160. The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis. M. Eichenberger, T. Schwander, S. Hüppi, J. Kreuzer, P. R. E. Mittl, F. Peccati, G. Jiménez-Osés, M. Naesby, R. M. Buller. Nat. Catal. 2023, 6, 927–938. DOI: 10.1038/s41929-023-01018-y.
159. Expanding the Substrate Scope of Acyltransferase LovD9 for the Biosynthesis of Statin Analogues. G. García-Marquina, R. Núñez-Franco, D. Grajales-Hernández, G. Jiménez-Osés,* F. López-Gallego. Chem. Eur. J. 2023, 29, e202300911. DOI: 10.1002/chem.202300911. Cover.
158. Molecular Recognition of Glycan-Bearing Glycomacromolecules Presented at Membrane Surfaces by Lectins: An NMR View. M. G. Lete, M. Hoffmann, N. Schomann, A. Martínez-Castillo, F. Peccati, P. B. Konietzny, S. Delgado, N. L. Snyder, G. Jiménez-Osés, N. G. A. Abrescia, A. Ardá, L. Hartmann, J. Jiménez-Barbero. ACS Omega 2023, 8, 16883–16895. DOI: 10.1021/acsomega.3c00634.
157. Highly Diastereoselective Multicomponent Synthesis of Spirocyclopropyl Oxindoles Enabled by Rare-Earth Metal Salts. M. A. Tallarida, F. Olivito, C. D. Navo, V. Algieri, A. Jiritano, P. Costanzo, A. Poveda, M. J. Moure, J. Jiménez-Barbero, L. Maiuolo, G. Jiménez-Osés,* A. De Nino. Org. Lett. 2023, 25, 3001–3006. DOI: 10.1021/acs.orglett.3c00772.
156. Expanding Transition Metal-Mediated Bioorthogonal Decaging to Include C–C Bond Cleavage Reactions. G. M. Dal Forno, E. Latocheski, A. Beatriz Machado, J. Becher, L. Dunsmore, A. L. St. John, B. L. Oliveira, C. D. Navo, G. Jiménez-Osés, R. Fior, J. B. Domingos, G. J. L. Bernardes. J. Am. Chem. Soc. 2023, 145, 10790–10799. DOI: 10.1021/jacs.3c01960.
155. Unraveling the Photophysical Characteristics, Aromaticity, and Stability of π–Extended Acene-quinodimethyl Thioamides. G. Yang, Y. Ju Yun, F. Peccati, A. M. Jamhawi, S. Jockusch, G. Jiménez-Osés,* A. J.-L. Ayitou. ChemPhysChem 2023, e202200906. DOI: 10.1002/cphc.202200906.
154. Synthesis of Fluorescent Lanthipeptide Cytolysin S Analogues by Late-Stage Sulfamidate Ring Opening. N. Mazo, I. R. Rahman, C. D. Navo, J. M. Peregrina, J. H. Busto, W. A. van der Donk, G. Jiménez-Osés.* Org. Lett. 2023, 25, 1431–1435. DOI: 10.1021/acs.orglett.3c00122.
153. Iridium-Catalyzed ortho-Selective Borylation of Aromatic Amides Enabled by 5-Trifluoromethylated Bipyridine Ligands. D. Marcos-Atanes, C. Vidal, C. D. Navo, F. Peccati, G. Jiménez-Osés,* J. L. Mascareñas. Angew. Chem. Int. Ed. 2023, 62, e202214510. DOI: 10.1002/anie.202214510.
152. Accurate Prediction of Enzyme Thermostabilization with Rosetta Using AlphaFold Ensembles. F. Peccati, Sara Alunno-Rufini, and G. Jiménez-Osés.* J. Chem. Inf. Model. 2023, 63, 898–909. DOI: 10.1021/acs.jcim.2c01083.
151. Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. M. P. Lenza, U. Atxabal, C. Nycholat, I. Oyenarte, A. Franconetti, J. Imanol Quintana, S. Delgado, R. Núñez-Franco, C. T. Garnica Marroquín, H. Coelho, L. Unione, G. Jiménez-Osés, F. Marcelo, M. Schubert, J. C. Paulson, J. Jiménez-Barbero, J. Ereño-Orbea. JACS Au 2023, 3, 204–215.
DOI: 10.1021/jacsau.2c00592.
150. Regioselective Synthesis and Molecular Docking Studies of 1,5-Disubstituted 1,2,3-Triazole Derivatives of Pyrimidine Nucleobases. V. Algieri, P. Costanzo, M.A. Tallarida, F. Olivito, A. Jiritano, G. Fiorani, F. Peccati, G. Jiménez-Osés, L. Maiuolo, A. De Nino. Molecules 2022, 27, 8467. DOI: 10.3390/molecules27238467.
149. Studies on the Regioselective Rearrangement of Azanorbornanic Aminyl Radicals into 2,8-Diazabicyclo[3.2.1]oct-2-ene Systems. E. Gil de Montes, M. A. Tallarida, A. T. Carmona, C. D. Navo, I. Robina, P. Elías-Rodríguez, G. Jiménez-Osés,* A. J. Moreno-Vargas. J. Org. Chem. 2022, 87, 16483–16491. DOI: 10.1021/acs.joc.2c02201.
148. Conformationally Restricted β-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates. N. Mazo, C. D. Navo, F. Peccati, J. Andreo, C. Airoldi, G. Goldsztejn, P. Çarçabal, I. Usabiaga, M. Sodupe, S. Wuttke, J. H. Busto, J. M. Peregrina, E. J. Cocinero, G. Jiménez-Osés.* Chem. Eur. J. 2023, 29, e202202913. DOI: 10.1002/chem.202202913.
147. Protoglobin-Catalyzed Formation of cis-Trifluoromethyl-Substituted Cyclopropanes by Carbene Transfer. L. Schaus, A. Das, A. M. Knight, G. Jimenez-Osés, K. N. Houk, M. Garcia-Borràs, F. H. Arnold, X. Huang. Angew. Chem. Int. Ed. 2023, 62, e202208936. DOI: 10.1002/anie.202208936.
146. NMR Investigation of Protein-Carbohydrate Interactions: The Recognition of Glycans by Galectins Engineered with Fluorotryptophan Residues. M. G. Lete, A. Franconetti, S. Bertuzzi, S. Delgado, M. Azkargorta, F. Elortza, O. Millet, G. Jiménez-Osés, A. Arda, J. Jiménez-Barbero. Chem. Eur. J. 2023, 29, e202202208. DOI: 10.1002/chem.202202208.
145. Towards Enantiomerically Pure Unnatural α-Amino Acids via Photoredox Catalytic 1,4-Additions to a Chiral Dehydroalanine. P. Oroz, C. D. Navo, A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, J. M. Peregrina. J. Org. Chem. 2022, 87, 14308−14318. DOI: 10.1021/acs.joc.2c01774.
144. Stereoselective α-Deuteration of Serine, Cysteine, Selenocysteine, and 2,3-Diaminopropanoic Acid Derivatives. C. D. Navo, P. Oroz, N. Mazo, M. Blanco, J. M. Peregrina, G. Jiménez-Osés.* Org. Lett. 2022, 24, 6810−6815. DOI: 10.1021/acs.orglett.2c02715.
143. Immobilization of Biantennary N-Glycans Leads to Branch Specific Epitope Recognition by LSECtin. S. Bertuzzi, F. Peccati, S. Serna, R. Artschwager, S. Notova, M. Thépaut, G. Jiménez-Osés, F. Fieschi, N. C. Reichardt, J. Jiménez-Barbero, and Ana Ardá. ACS Cent. Sci. 2022, 8, 1415−1423. DOI: 10.1021/acscentsci.2c00719.
142. Immobilization and Stabilization of an Engineered Acyltransferase for the Continuous Biosynthesis of Simvastatin in Packed-Bed Reactors. G. García-Marquina. J. Langer, M. Sánchez-Costa, G. Jiménez-Osés,* F. López-Gallego. ACS Sustainable Chem. Eng. 2022, 10, 9899−9910. DOI: 10.1021/acssuschemeng.2c02279.
141. Synthesis of β2,2-Amino Acids by Stereoselective Alkylation of Isoserine Derivatives Followed by Nucleophilic Ring Opening of Quaternary Sulfamidates. P. Tovillas, C. D. Navo, P. Oroz, A. Avenoza, F. Corzana, M. M. Zurbano, G. Jiménez-Osés, J. H. Busto, J. M. Peregrina. J. Org. Chem. 2022, 87, 8730–8743. DOI: 10.1021/acs.joc.2c01034.
140. Platform for Orthogonal N-Cysteine-Specific Protein Modification Enabled by Cyclopropenone Reagents. A. Istrate, M. B. Geeson, C. D. Navo, B. B. Sousa, M. C. Marques, R. J. Taylor, T. Journeaux, S. R. Oehler, M. R. Mortensen, M. J. Deery, A. D. Bond, F. Corzana, G. Jiménez-Osés,* G. J. L. Bernardes. J. Am. Chem. Soc. 2022, 144, 10396−10406. DOI: 10.1021/jacs.2c02185.
139. Triplet photodynamic and up-conversion luminescence in donor–acceptor dyads with slip-stacked vs. co-facial arrangement. Y. Ju Yun, F. Peccati, G. P. Wiederrecht, D. J. Gosztola, B. T. Diroll, G. Jiménez-Osés, A. J.-L. Ayitou. J. Mater. Chem. C 2022, 10, 7093–7102. DOI: 10.1039/D1TC05122A.
138. Assessing the Mobility of Severe Acute Respiratory Syndrome Coronavirus-2 Spike Protein Glycans by Structural and Computational Methods. S. Stagnoli, F. Peccati, S. R. Connell, A. Martinez-Castillo, D. Charro, O. Millet, C. Bruzzone, A. Palazon, A. Ardá, J. Jiménez-Barbero, J. Ereño-Orbea, N. G. A. Abrescia, G. Jiménez-Osés.* Front. Microbiol. 2022, 13, 870938. DOI: 10.3389/fmicb.2022.870938.
137. Single Mutation on Trastuzumab Modulates the Stability of Antibody–Drug Conjugates Built Using Acetal-Based Linkers and Thiol-Maleimide Chemistry. X. Ferhati, E. Jiménez-Moreno, E. A. Hoyt, G. Salluce, M. Cabeza-Cabrerizo, C. D. Navo, I. Compañón, P. Akkapeddi, M. J. Matos, N. Salaverri, P. Garrido, A. Martínez, V. Laserna, T. V. Murray, G. Jiménez-Osés, P. Ravn, G. J. L. Bernardes, F. Corzana. J. Am. Chem. Soc. 2022, 144, 5284–5294. DOI: 10.1021/jacs.1c07675.
136. Synthesis and Photophysics of Phenylene Based Triplet Donor–Acceptor Dyads: ortho vs. para Positional Effect on Intramolecular Triplet Energy Transfer. Y. Ju Yun, M. K. Manna, N. Kamathama, J. Li, S. Liu, F. Peccati, B. C. Pemberton, G. P. Wiederrecht, D. J. Gosztola, G. Jiménez-Osés, A. Yu Rogachev, A. J.-L. Ayitou. J. Photochem. Photobiol. 2022, 10, 100112. DOI: 10.1016/j.jpap.2022.100112.
135. Controlled masking and targeted release of redox-cycling ortho-quinones via a C–C bond-cleaving 1,6-elimination. L. Dunsmore, C. D. Navo, J. Becher, E. Gil de Montes, A. Guerreiro, E. Hoyt, L. Brown, V. Zelenay, S. Mikutis, J. Cooper, I. Barbieri, S. Lawrinowitz, E. Siouve, E. Martin, P. R. Ruivo, T. Rodrigues, F. P. da Cruz, O. Werz, G. Vassiliou, P. Ravn, G. Jiménez-Osés,* Gonçalo J. L. Bernardes. Nat. Chem. 2022, 14, 754–765. DOI: 10.1038/s41557-022-00964-7.
134. Deconvoluting the directed evolution pathway of engineered acyltransferase LovD. G. García-Marquina, R. Núñez-Franco, F. Peccati, Y. Tang, G. Jiménez-Osés,* F. López-Gallego. ChemCatChem 2022, 14, e202101349. DOI: 10.1002/cctc.202101349.
133. Bacteriophage PRD1 as a nanoscaffold for drug loading. H. M. E. Duyvesteyn, I. Santos-Pérez, F. Peccati, A. Martinez-Castillo, T. S. Walter, D. Reguera, F. M. Goñi, G. Jiménez-Osés, H. M. Oksanen, D. I. Stuart, N. G. A. Abrescia. Nanoscale 2021, 13, 19875–19883. DOI: 10.1039/D1NR04153C.
132. Substrate Sequence Controls Regioselectivity of Lanthionine Formation by ProcM. T. Le, K. J. D. Fouque, M. Santos-Fernandez, C. D. Navo, G. Jiménez-Osés, R. Sarksian, F. A. Fernandez-Lima, W. A. van der Donk. J. Am. Chem. Soc. 2021, 143, 18733−18743. DOI: 10.1021/jacs.1c09370.
131. Unveiling the role of pyrylium frameworks on p-stacking interactions: a combined ab initio and experimental study. R. Núñez-Franco, G. Jiménez-Osés, J. Jiménez-Barbero, F. Cabrera-Escribano, A. Franconetti. Phys. Chem. Chem. Phys. 2021, 24, 1965−1973. DOI: 10.1039/d1cp02622d. Cover.
130. Computer Prediction of pKa Values in Small Molecules and Proteins. C. D. Navo, G. Jiménez-Osés.* ACS Med. Chem. Lett. 2021, 12, 1624−1628. DOI: 10.1021/acsmedchemlett.1c00435.
129. Nucleophilic catalysis of p-substituted aniline derivatives in acylhydrazone formation and exchange. A. Canal-Martín, C. D. Navo, E. Sáez, D. Molero, G. Jiménez-Osés,* R. Pérez-Fernández. Org. Biomol. Chem. 2021, 19, 7202–7210. DOI: 10.1039/d1ob00871d.
128. Arylethynyltrifluoroborate Dienophiles for on Demand Activation of IEDDA Reactions. Z. Zawada, Z. Guo, B. L. Oliveira, C. D. Navo, H. Li, P. M. S. D. Cal, F. Corzana, G. Jiménez-Osés,* G. J. L. Bernardes. Bioconjugate Chem. 2021, 32, 1812−1822. DOI: 10.1021/acs.bioconjchem.1c00276.
127. A Computational Perspective on Molecular Recognition by Galectins. R. Núñez-Franco, F. Peccati, G. Jiménez-Osés.* Curr. Med. Chem. 2021, 28, 1−13. DOI: 10.2174/0929867328666210804093058.
126. Structural insight into the unique conformation of cystathionine β-synthase from Toxoplasma gondii. C. Fernández-Rodríguez, I. Oyenarte, C. Conter, I. González-Recio, R. Núñez-Franco, C. Gil-Pitarch, I. Quintana, G. Jiménez-Osés, P. Dominici, M. L. Martinez-Chantar, A. Astegno, L. A. Martínez-Cruz. Comput. Struct. Biotechnol. J. 2021, 19, 3542–3555. DOI: 10.1016/j.csbj.2021.05.052.
125. 1,2-Oxa/Thia-3-Azoles (Included in Volume 6, Other Five-Membered Rings With Three or More Heteroatoms, and Their Fused Carbocyclic Derivatives). C. D Navo, F. Peccati, N. Mazo Arribas, R. Núñez-Franco, G. Jiménez-Osés.* Comprehensive Heterocyclic Chemistry IV 2022, 1−55. DOI: 10.1016/B978-0-12-818655-8.00115-3.
124. Biotin-phenosafranin as a new photosensitive conjugate for targeted therapy and imaging. A. Błauż, B. Rychlik, D. Plazuk, F. Peccati, G. Jiménez-Osés, U. Steinke, M. Sierant, K. Trzeciak, E. Skorupska, B. Miksa. New J. Chem. 2021, 45, 9691–9702. DOI: 10.1039/D0NJ06170K.
123. Origin and Control of Chemoselectivity in Cytochrome c Catalyzed Carbene Transfer into Si−H and N−H bonds. M. Garcia-Borras, S. B. J. Kan, R. D. Lewis, A. Tang, G. Jimenez-Osés, F. H. Arnold, K. N. Houk. J. Am. Chem. Soc. 2021, 143, 7114−7123. DOI: 10.1021/jacs.1c02146.
122. The two domains of human galectin-8 bind sialyl- and fucose-containing oligosaccharides in an independent manner. A 3D view by using NMR. M. Gómez-Redondo, S. Delgado, R. Núñez-Franco, G. Jiménez-Osés, A. Ardá, J. Jiménez-Barbero, A. Gimeno. RSC Chem. Biol. 2021, 2, 932–941. DOI: 10.1039/d1cb00051a
121. Enthalpy−Entropy Compensation in Biomolecular Recognition: A Computational Perspective. F. Peccati, G. Jiménez-Osés.* ACS Omega 2021, 6, 11122−11130. DOI: 10.1021/acsomega.1c00485.
120. Cosolute modulation of protein oligomerization reactions in the homeostatic timescale. B. Mateos, G. Bernardo-Seisdedos, V. Dietrich, N. Zalba, G. Ortega, F. Peccati, G. Jiménez-Osés, R. Konrat, M. Tollinger, O. Millet. Biophys. J. 2021, 120, 2067–2077. DOI: 10.1016/j.bpj.2021.03.020.
119. Galectin-4 N-Terminal Domain: Binding Preferences Toward A and B Antigens With Different Peripheral Core Presentations. J. I. Quintana, S. Delgado, R. Núñez-Franco, F. Javier Cañada, G. Jiménez-Osés, J. Jiménez-Barbero, A. Ardá. Front. Chem. 2021, 9, 664097. DOI: 10.3389/fchem.2021.664097.
118. Towards Enantiomerically Pure β-Seleno-α-amino Acids via Stereoselective Se-Michael Additions to Chiral Dehydroalanines. P. Oroz, C. D. Navo, A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, Jesús M. Peregrina. Org. Lett. 2021, 23, 1955–1959. DOI: 10.1021/acs.orglett.0c03832. Cover.
117. A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance. J. M. Mancheño, E. Atondo, J. Tomás-Cortázar, J. L. Lavín, L. Plaza-Vinuesa, I. Martín-Ruiz, D. Barriales, A. Palacios, C. D. Navo, L. Sampedro, A. Peña-Cearra, M. Á. Pascual-Itoiz, J. Castelo, A. Carreras-González, D. Castellana, A. Pellón, S. Delgado, P. Ruas-Madiedo, B. de las Rivas, L. Abecia, R. Muñoz, G. Jiménez-Osés, J. Anguita, H. Rodríguez. Microb. Biotechnol. 2022, 15, 648–667. DOI: 10.1111/1751-7915.13732.
116. Replacing the rhamnose–xylose moiety of QS‐21 with simpler terminal disaccharide units attenuates adjuvant activity in truncated saponin variants. R. Fuentes, A. Ruiz-de-Angulo, N. Sacristán, C. Daniel Navo, G. Jiménez-Osés, J. Anguita, A. Fernández-Tejada. Chem. Eur. J. 2021, 27, 4731–4737. DOI: 10.1002/chem.202004705.
115. Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold. S. Basler, Sabine Studer, Y. Zou, T. Mori, Y. Ota, A. Camus, A. Bunzel, R. C. Helgeson, K. N. Houk, G. Jiménez-Osés,* D. Hilvert. Nat. Chem. 2021, 13, 231–235. DOI: 10.1038/s41557-020-00628-4.
114. Identification of Isomeric N-glycans by Conformer Distribution Fingerprinting using Ion Mobility-Mass Spectrometry. J. Sastre-Toraño, O. Aizpurua-Olaizola, N. Wei, T. Li, L. Unione, G. Jiménez-Osés, F. Corzana, V. J Somovilla, J. M. Falcon-Perez, G.-J. Boons. Chem. Eur. J. 2021, 27, 2149–2154. DOI: 10.1002/chem.202004522.
113. Sequential dual site-selective protein labelling enabled by lysine modification. M. J. Matos, L. Brown, B. Bernardim, A. Guerreiro, G. Jiménez-Osés, G. J. L. Bernardes. Bioorg. Med. Chem. 2020, 28, 115783. DOI: 10.1016/j.bmc.2020.115783.
112. Structural characterization of the N-linked glycans in the receptor binding domain of the SARS-CoV-2 spike protein and their interactions with human lectins using NMR spectroscopy. M. P. Lenza, I. Oyenarte, T. Diercks, J. I. Quintana, A. Gimeno, A. Bosch, H. Coelho, A. Diniz, F. Peccati, S. Delgado, M. Valle, O. Millet, N. G. A. Abrescia, A. Palazón, F. Marcelo, G. Jiménez-Osés, J. Jiménez-Barbero, A. Ardá, J. Ereño-Orbea. Angew. Chem. Int. Ed. 2020, 59, 23763–23771. DOI: 10.1002/anie.202011015. Very Important Paper.
111. Unravelling the time scale of conformational plasticity and allostery in glycan recognition by human galectin‐1. S. Bertuzzi, A. Gimeno, R. Núñez-Franco, G. Bernardo-Seisdedos, S. Delgado, G. Jiménez-Osés, O. Millet, J. Jiménez-Barbero, A. Ardá. Chem. Eur. J. 2020, 26, 15643–15653. DOI: 10.1002/chem.202003212.
110. Selective modification of sulfamidate-containing peptides. N. Mazo, C. D. Navo, J. M. Peregrina, J. H. Busto, G. Jiménez-Osés.*
Org. Biomol. Chem. 2020, 18, 6265–6275. DOI: 10.1039/d0ob01061h. Cover.
109. Dissecting the Essential Role of Anomeric β-Triflates in Glycosylation Reactions. A. G. Santana, L. Montalvillo-Jiménez, L. Díaz-Casado, F. Corzana, P. Merino, F. J. Cañada, G. Jiménez-Osés, J. Jiménez-Barbero, A. M. Gómez, J. L. Asensio. J. Am. Chem. Soc. 2020, 142, 2501–12514. DOI: 10.1021/jacs.0c05525.
108. Precise Installation of Diazo-Tagged Side-Chains on Proteins to Enable In Vitro and In-Cell Site-Specific Labeling. B. Bernardim, L. Dunsmore, H. Li, B. Hocking, R. Núñez-Franco, C. D. Navo, G. Jiménez-Osés, A. C. B. Burtoloso, G. J. L. Bernardes. Bioconjugate Chem. 2020, 31, 1604–1610. DOI: 10.1021/acs.bioconjchem.0c00232. ACS Editor's Choice.
107. Synthesis and Structural Analysis of Aspergillus fumigatus Galactosaminogalactans Featuring α-Galactose, α-Galactosamine and α-N-Acetyl Galactosamine Linkages. Y. Zhang, M. Gómez-Redondo, G. Jiménez-Osés, A. Arda, H. S. Overkleeft, G. A. van der Marel, J. Jiménez-Barbero, J. D. C. Codée. Angew. Chem. Int. Ed. 2020, 59, 12746–12750. DOI: 10.1002/anie.202003951.
106. Synthesis of Nβ-Substituted α,β-Diamino Acids via Stereoselective N-Michael Additions to a Chiral Bicyclic Dehydroalanine. C. D. Navo, Nuria Mazo, P. Oroz, M. I. Gutiérrez-Jiménez, J. Marín, J. Asenjo, A. Avenoza, J. H. Busto, F. Corzana, M. M. Zurbano, G. Jiménez-Osés, J. M. Peregrina. J. Org. Chem. 2020, 85, 3134–3145. DOI: 10.1021/acs.joc.9b03020.
105. Stable Pyrrole-Linked Bioconjugates through Tetrazine-Triggered Azanorbornadiene Fragmentation. E. Gil de Montes, A. Istrate, C. D. Navo, E. Jiménez-Moreno, E. A. Hoyt, F. Corzana, I. Robina, G. Jiménez-Osés,* Antonio J. Moreno-Vargas, G. J. L. Bernardes. Angew. Chem. Int. Ed. 2020, 59, 6196–6200 . DOI: 10.1002/anie.201914529.
104. Lanthionine Peptides by S-Alkylation with Substituted Cyclic Sulfamidates Promoted by Activated Molecular Sieves: Effects of the Sulfamidate Structure on the Yield. S. De Luca, G. Digilio, V. Verdoliva, P. Tovillas, G. Jiménez-Osés, J. M. Peregrina, J. Org. Chem. 2019, 84, 14957-14964. DOI: doi.org/10.1021/acs.joc.9b02306.
103. Impact of Aromatic Stacking on Glycoside Reactivity: Balancing CH/π and Cation/π Interactions for the Stabilization of Glycosyl-Oxocarbenium Ions. L. Montalvillo-Jiménez, A. G. Santana, F. Corzana, G. Jiménez-Osés, J. Jiménez-Barbero, A. M. Gómez, J. Luis Asensio, J. Am. Chem. Soc. 2019, 141, 13372-13384. DOI: doi.org/10.1021/jacs.9b03285.
102. Enhancement of the Anti-Aggregation Activity of a Molecular Chaperone Using a Rationally Designed Post-Translational Modification. P. R. Lindstedt, F. A. Aprile, M. J. Matos, M. Perni, J. B. Bertoldo, B. Bernardim, Q. Peter, G. Jiménez-Osés, T. P. J. Knowles, C. M. Dobson, F. Corzana, M. Vendruscolo, G.J. L. Bernardes, ACS Cent. Sci. 2019, 5, 8, 1417-1424. DOI: 10.1021/acscentsci.9b00467.
101. Lysine Bioconjugation on Native Albumin with a Sulfonyl Acrylate Reagent. M.J. Matos, G. Jiménez-Osés, J. L. Bernardes. In: Massa S., Devoogdt N. (eds) Bioconjugation. Methods in Molecular Biology, vol 2033 (2019). Humana, New York, NY. DOI: 10.1007/978-1-4939-9654-4_3.
100. Tetrazine‐Triggered Release of Carboxylic‐Acid‐Containing Molecules for Activation of an Anti‐inflammatory Drug. S. Davies, L. Qiao, B. L. Oliveira, C. D. Navo, G. Jiménez‐Osés, G. J. L. Bernardes. ChemBioChem 2019, 20, 1541-1546 (ChemBioTalents special issue). DOI: 10.1002/cbic.201900098.
99. Azabicyclic vinyl sulfones for residue-specific dual protein labelling. E. Gil de Montes, E. Jiménez-Moreno, B. L. Oliveira, C. D. Navo, P. M. S. D. Cal, G. Jiménez-Osés, I. Robina, A. J. Moreno-Vargas, G. J. L. Bernardes. Chem Sci. 2019, 10, 4515–4522. DOI: 10.1039/C9SC00125E.
98. Quaternization of Vinyl/Alkynyl Pyridine Enables Ultrafast Cysteine-Selective Protein Modification and Charge Modulation. M. J. Matos, C. D. Navo, T. Hakala, X. Ferhati, A. Guerreiro, D. Hartmann, B. Bernardim, K. L. Saar, I. Compañón, F. Corzana, T. P. J. Knowles, G.Jiménez-Osés,* G. J. L. Bernardes. Angew. Chem. Int. Ed. 2019, 58, 6640–6644. DOI: 10.1002/ange.201901405.
97. Structure-based design of potent tumor-associated antigens: modulation of peptide presentation by single atom O/S or O/Se substitutions at the glycosidic linkage. I. Compañón, A. Guerreiro, V. Mangini, J. Castro-López, M. Escudero-Casao, A. Avenoza, J. H. Busto, S. Castillón, J. Jiménez-Barbero, J. L. Asensio, G. Jiménez-Osés, O. Boutureira, J. M. Peregrina, R. Hurtado-Guerrero, R. Fiammengo, G. J.L. Bernardes, F. Corzana. J. Am. Chem. Soc. 2019 141, 4063–4072. DOI: 10.1021/jacs.8b13503.
96. Insights into AMS/PCAT transporters from biochemical and structural characterization of a double Glycine motif protease. S. C Bobeica, S. Dong, L. Huo, N. Mazo, M. I. H. McLaughlin, G. Jiménez-Osés, S. K Nair, W. A. van der Donk. eLife, 2019, 8, e42305. DOI: 10.7554/eLife.42305.
95. Elusive Dehydroalanine Derivatives with Enhanced Reactivity. C. Aydillo, N. Mazo, C. D. Navo, G. Jiménez-Osés.* ChemBioChem, 2019, 20, 1246 –1250. (ChemBioTalents special issue). DOI: 10.1002/cbic.201800758. Cover.
94. Oxygen by Carbon Replacement at the Glycosidic Linkage Modulates the Sugar Conformation in Tn Antigen Mimics. C. D. Navo, I. A. Bermejo, P. Oroz, P. Tovillas, I. Compañón, C. Matías, A. Avenoza, J. H. Busto, M. M. Zurbano, G. Jiménez-Osés, F. Corzana, J. M. Peregrina, ACS Omega, 2018, 3, 18142–18152. DOI: 10.1021/acsomega.8b02576.
93. A Late-Stage Synthetic Approach to Lanthionine-Containing Peptides via S‑Alkylation on Cyclic Sulfamidates Promoted by Molecular Sieves. S. De Luca, G. Digilio, V. Verdoliva, M. Saviano, V. Menchise, P. Tovillas, G. Jiménez-Osés, J. M. Peregrina. Org. Lett. 2018, 20, 7478−7482. DOI: 10.1021/acs.orglett.8b03254.
92. Radical-Mediated Thiol-Ene Strategy: Photoactivation of Thiol-Containing Drugs in Cancer Cells. S. Sun, B. L. Oliveira, G. Jiménez-Osés, G. L. Bernardes. Angew. Chem. Int. Ed. 2018, 57,15832–15835. DOI: 10.1002/anie.201811338.
91. Efficient and irreversible antibody-cysteine bioconjugation using carbonylacrylic reagents. B. Bernardim, M. J. Matos, X. Ferhati, I. Compañón, A. Guerreiro, P. Akkapeddi, A. C. B. Burtoloso, G. Jiménez-Osés, F. Corzana, G. J. L. Bernardes. Nat. Protoc. 2019, 14, 86–99. DOI: 10.1038/s41596-018-0083-9.
90. Water Sculpts the Distinctive Shapes and Dynamics of the Tn Antigens: Implications for their Molecular Recognition.
I. A. Bermejo, I. Usabiaga, I. Compañón, J. Castro-López, A. Insausti, J. A. Fernández, A. Avenoza, J. H. Busto, J. Jiménez-Barbero, J. L. Asensio, J. M. Peregrina, G. Jiménez-Osés, R. Hurtado-Guerrero, E. J. Cocinero, F. Corzana. J. Am. Chem. Soc., 2018, 140, 9952–9960. DOI: 10.1021/jacs.8b04801.
89. The Conformation of the Mannopyranosyl Phosphate Repeating Unit of the Capsular Polysaccharide of Neisseria meningitidis Serogroup A and Its Carba‐Mimetic. I. Calloni, L. Unione, G. Jiménez‐Osés, F. Corzana, L. Del Bino, A. Corrado, O. Pitirollo, C. Colombo, L. Lay, R. Adamo, J. Jiménez‐Barbero. Eur. J. Org. Chem. 2018, 4548–4555. DOI: 10.1002/ejoc.201801003.
88. Substrate-assisted Enzymatic Formation of Lysinoalanine in Duramycin. L. An, D. P. Cogan, C. D. Navo, G. Jiménez-Osés, S. K. Nair, W. A. van der Donk. Nat. Chem. Biol. 2018, 14, 928–933. DOI: 10.1038/s41589-018-0122-4.
87. Tn Antigen Mimics by Ring-Opening of Chiral Cyclic Sulfamidates with Carbohydrate C1-S- and C1-O-Nucleophiles P. Tovillas, I. García, P. Oroz, N. Mazo, A. Avenoza, F. Corzana, G. Jiménez-Osés, J. H. Busto, J. M. Peregrina. J. Org. Chem., 2018, 83, 4973–4980. DOI: 10.1021/acs.joc.7b03225.
86. Cell-Penetrating Peptides Containing Fluorescent D-Cysteines. C. D. Navo, A. Asín, E. Gómez-Orte, M. I. Gutiérrez-Jiménez, I. Compañón, B. Ezcurra, A. Avenoza, J. H. Busto, F. Corzana, M. M. Zurbano, G. Jiménez-Osés, J. Cabello, J. M. Peregrina. Chem. Eur. J. 2018, 24, 7991–8000. DOI: 10.1002/chem.201800603.
85. Chemo and regioselective lysine modification on native proteins. M. Matos, B. Oliveira, N. Martínez-Sáez, A. Guerreiro, P. M. S. D. Cal, J. Bertoldo, M. Maneiro, E. Perkins, J. Howard, M. Deery, J. M. Chalker, F. Corzana, G. Jiménez-Osés,* G. J.L. Bernardes. J. Am. Chem. Soc., 2018, 140, 4004–4017. DOI: 10.1021/jacs.7b12874.
84. Chemoselective installation of amine bonds on proteins through aza-michael ligation. A. M. Freedy, M. J. Matos, O. Boutureira, F. Corzana, A. Guerreiro, P. Akkapeddi, V. J. Somovilla, T. Rodrigues, K. Nicholls, B. Xie, G. Jiménez-Osés, K. M. Brindle, A. A. Neves, G. J. L. Bernardes. J. Am. Chem. Soc., 2017, 139, 18365–18375. DOI: 10.1021/jacs.7b10702.
83. Substituent effects on the reactivity of cyclic tertiary sulfamidates. C. D. Navo, N. Mazo, A. Avenoza, J. H. Busto, J. M. Peregrina, G. Jiménez-Osés*. J. Org. Chem., 2017, 82, 13250–13255. DOI: 10.1021/acs.joc.7b02352.
82. The interdomain flexible linker of the polypeptide GalNAc transferases dictates their long-range glycosylation preferences. M. de las Rivas, E. Lira-Navarrete, E. J. P. Daniel, I. Compañón, H. Coelho, A. Diniz, J. Jiménez-Barbero, J. M. Peregrina, H. Clausen, F. Corzana, F. Marcelo, G. Jiménez-Osés, T. A. Gerken, R. Hurtado-Guerrero. Nat. Commun. 2017, 8, 1959. DOI: 10.1038/s41467-017-02006-0.
81. The key role of Au-substrate interactions in catalytic gold subnanoclusters. J. Cordón, G. Jiménez-Osés,* J. M. López-de-Luzuriaga, M. Monge. Nat. Commun. 2017, 8, 1657. DOI: 10.1038/s41467-017-01675-1.
80. Computational design of protein function. M. Garcia-Borras, K. N. Houk, G. Jiménez-Osés*. In Computational tools for chemical biology; S. Martín-Santamaría, Ed. Royal Society of Chemistry. 2017.
79. Oxidative activation of C−S bonds with an electropositive nitrogen promoter enables orthogonal glycosylation of alkyl over phenyl thioglycosides. A. Kitowski, E. Jiménez-Moreno, M. Salvadó, J. Mestre, S. Castillón, G. Jiménez-Osés,* O. Boutureira, G. J. L. Bernardes. Org. Lett. 2017, 19, 5490−5493. DOI: 10.1021/acs.orglett.7b02886.
78. A single active site mutation in the pikromycin thioesterase generates a more effective macrocyclization catalyst. A. A. Koch, D. A. Hansen, V. V. Shende, L. R. Furan, K. N. Houk, G. Jiménez-Osés,* D. H. Sherman. J. Am. Chem. Soc. 2017, 139, 13456−13465. DOI: 10.1021/jacs.7b06436.
77. Metal-free [2+2]-photocycloaddition of (Z)‑4-aryliden-5(4H)‑oxazolones as straightforward synthesis of 1,3-diaminotruxillic acid precursors: synthetic scope and mechanistic studies. A. García-Montero, A. M. Rodriguez, A. Juan, A. H. Velders, A. Denisi, G. Jiménez-Osés, E. Gómez-Bengoa, C. Cativiela, M. Victoria Gómez, E. P. Urriolabeitia. ACS Sustainable Chem. Eng. 2017, 5, 8370−8381. DOI: 10.1021/acssuschemeng.7b02140.
76. Multiple mechanisms for the thermal decomposition of metallaisoxazolin-5-ones from computational investigations. Chen-Chen Zhou, M. F. Hawthorne, K. N. Houk, G. Jiménez-Osés.* J. Org. Chem. 2017, 82, 8438−8443. DOI: 10.1021/acs.joc.7b01169.
75. 1,3-Dipolar cycloaddition reactions of low-valent Rhodium and Iridium complexes with arylnitrile N‑oxides. I. Ugur, S. A. Cinar, B. Dedeoglu, V. Aviyente, M. F. Hawthorne, P. Liu, F. Liu, K. N. Houk, G. Jiménez-Osés.* J. Org. Chem. 2017, 82, 5096−5101. DOI: 10.1021/acs.joc.7b00282.
74. Vinyl ether/tetrazine pair for the traceless release of alcohols in cells. E. Jiménez-Moreno, Z. Guo, B. L. Oliveira, I. S. Albuquerque, A. Kitowski, A. Guerreiro, O. Boutureira, T. Rodrigues, G. Jiménez-Osés, G. J. L. Bernardes. Angew. Chem. Int. Ed. 2017, 56, 243–247. DOI: 10.1002/anie.201609607.
73. A minimal, unstrained S-allyl handle for pre-targeting Diels–Alder bioorthogonal labeling in live cells. B. L. Oliveira, Z. Guo, O. Boutureira, A. Guerreiro, G. Jiménez-Osés, G. J. L. Bernardes. Angew. Chem. Int. Ed. 2016, 55, 14683–14687. DOI: 10.1002/anie.201608438.
72. Stoichiometric and irreversible cysteine-selective protein modification using carbonylacrylic reagents. B. Bernardim, P. M.S.D. Cal, M. J. Matos, B. L. Oliveira, N. Martínez-Sáez, Inés S. Albuquerque, E. Perkins, F. Corzana, A. C.B. Burtoloso, G. Jiménez-Osés, G. J.L. Bernardes. Nat. Commun. 2016, 7, 13128 DOI:10.1038/ncomms13128.
71. Tn Antigen Mimics based on sp2-Iminosugars with affinity for an anti-MUC1 antibody. E. M. Sánchez Fernández, C. D. Navo, N. Martínez-Saez, R. Gonçalves-Pereira, A. Avenoza, J. H. Busto, G. J. L. Bernardes, G. Jiménez-Osés, F. Corzana, J. M. García Fernández, C. Ortiz Mellet, J. M. Peregrina, Org. Lett., 2016, 18, 3890–3893. DOI: 10.1021/acs.orglett.6b01899.
70. Bifunctional chiral dehydroalanines for peptide coupling and stereoselective S-Michael addition. M. I. Gutiérrez-Jiménez, C. Aydillo, C. D. Navo, A. Avenoza, F. Corzana, G. Jiménez-Osés, M. M. Zurbano, J. H. Busto, J. M. Peregrina. Org. Lett., 2016, 18, 2796–2799. DOI: 10.1021/acs.orglett.6b00840.
69. Finding the right candidate for the right position: a fast NMR-assisted combinatorial method for optimizing nucleic acids binders. E. Jiménez-Moreno, L. Montalvillo-Jiménez, A. G. Santana, A. M. Gómez, G. Jiménez-Osés, F. Corzana, A. Bastida, J. Jiménez-Barbero, F. Javier Cañada, I. Gómez-Pinto, C. González, J. L. Asensio, J. Am. Chem. Soc., 2016, 138, 6463−6474. DOI: 10.1021/jacs.6b00328.
68. Computations reveal that electron-withdrawing leaving groups facilitate Intramolecular Conjugate Displacement reactions by negative hyperconjugation. E. Noey, G. Jiménez-Osés, D. Clive, K. N. Houk, J. Org. Chem., 2016, 81, 4290−4294 DOI: 10.1021/acs.joc.6b00691.
67. A proactive role of water molecules in acceptor recognition by Protein-O-fucosyltransferase 2. J. Valero-González, C. Leonhard-Melief, E. Lira-Navarrete, G. Jiménez-Osés, C. Hernández-Ruiz, M. Carmen Pallarés, I. Yruela, D. Vasudevan, A. Lostao, F. Corzana, H. Takeuchi, R. S. Haltiwanger, R. Hurtado-Guerrero, Nat. Chem. Biol., 2016, 12, 240−246. DOI: 10.1038/nchembio.2019.
66. Origins of Stereoselectivity in Evolved Ketoredutases. E. L. Noey, N. Tibrewal, G. Jiménez-Osés, S. Osuna, J. Park, C. Bond, D. Cascio, J. Liang, X. Zhang, G. Huisman, Y. Tang, K. N. Houk, Proc. Natl. Acad. Sci. U. S. A, 2015, 112, E7065–E7072. DOI: 10.1073/pnas.1507910112.
65. Synthesis of mixed α/β2,2-peptides by site-selective ring-opening of cyclic quaternary sulfamidates. N. Mazo, I. García-González, C. D. Navo, F. Corzana, G. Jiménez-Osés, A. Avenoza, J. H. Busto, J. M. Peregrina, Org. Lett., 2015, 17, 5804−5807. DOI: 10.1021/acs.orglett.5b02927.
64. A thorough experimental study of CH/π interactions in water: quantitative structure–stability relationships for carbohydrate/aromatic complexes. E. Jiménez-Moreno, G. Jiménez-Osés, A. M. Gómez, A. G. Santana, F. Corzana, A. Bastida, J. Jiménez-Barbero, J. L. Asensio, Chem. Sci. 2015, 6, 6076–6085. DOI: 10.1039/C5SC02108A.
63. Pyridine N-Oxide vs. Pyridine Substrates for Rh(III)-Catalyzed Oxidative C–H Bond Functionalization. S. R. Neufeldt, G. Jiménez-Osés, J. R. Huckins, O. R. Thiel, K. N. Houk, J. Am. Chem. Soc. 2015, 137, 9843–9854. DOI: 10.1021/jacs.5b03535.
62. Evolution of a unified strategy for complex sesterterpenoids: progress toward astellatol and total synthesis of (-)-nitidasin. D. T. Hog, F. M. E. Huber, G. Jiménez-Osés,* P. Mayer, K. N. Houk, and D. Trauner, Chem. Eur. J. 2015, 21, 13646–13665. DOI: 10.1002/chem.201501423.
61. Enzymatic hydroxylation of an unactivated methylene C–H bond guided by molecular dynamics simulations. A. R. H. Narayan, G. Jiménez-Osés, P. Liu, S. Negretti, W. Zhao, M. M. Gilbert, R. O. Ramabhadran, Y.-F. Yang, L. R. Furan, Z. Li, L. M. Podust, J. Montgomery, K. N. Houk, D. H. Sherman. Nat. Chem. 2015, 7, 653–660. DOI: 10.1038/nchem.2285.
60. Molecular dynamics of the Diels-Alder reactions of tetrazines with alkenes, and N2 extrusions from adducts. L. Törk, G. Jiménez-Osés, C. Doubleday, F. Liu, K. N. Houk, J. Am. Chem. Soc. 2015, 137, 4749−4758. DOI: 10.1021/jacs.5b00014.
59. Enantioselective synthesis of dialkylated N-heterocycles by palladium-catalyzed allylic alkylation. Y. Numajiri, G. Jiménez-Osés, B. Wang, K. N. Houk, Brian M. Stoltz. Org. Lett. 2015, 17, 1082–1085. DOI: 10.1021/ol503425t.
58. Molecular dynamics explorations of active site structure in designed and evolved enzymes. S. Osuna, G. Jiménez-Osés, E. L. Noey, K. N. Houk, Acc. Chem. Res. 2015, 48, 1080−1089. DOI: 10.1021/ar500452q. Cover.
57. Thermodynamic evaluation of aromatic C-H/π interactions and rotational entropy in a molecular rotor. S. Pérez-Estrada, B. Rodriguez-Molina, L. Xiao, R. Santillan, G. Jiménez-Osés, K. N. Houk, M. A. Garcia-‐Garibay, J. Am. Chem. Soc., 2015, 137, 2175–2178. DOI: 10.1021/ja512053t.
56. Modulating weak interactions for molecular recognition: a dynamic combinatorial analysis for assessing the contribution of electrostatics to the stability of CH–π bonds in water. E. Jiménez-Moreno, A. M. Gómez, A. Bastida, F. Corzana, G. Jiménez-Osés, J. Jiménez-Barbero, J. L. Asensio, Angew. Chem. Int. Ed. 2015, 54, 4344–4348. DOI: 10.1002/anie.201411733.
55. N-type conjugated polymer-enabled selective dispersion of semiconducting carbon nanotubes for flexible CMOS-like circuits. H. Wang, Y. Li, G. Jiménez-Osés, P. Liu, Y. Fang, J. Zhang, Y.-C. Lai, S. Park, L. Chen, K. N. Houk, Z. Bao. Adv. Funct. Mater. 2015, 25, 1837–1844. DOI: 10.1002/adfm.201404126.
54. A twist on facial selectivity of hydride reductions of cyclic ketones: twist-boat conformers in cyclohexanone, piperidone, and tropinone reactions. S. R. Neufeldt, G. Jiménez-Osés,* D. L. Comins, K. N. Houk, J. Org. Chem., 2014, 79, 11609−11618. DOI: 10.1021/jo5022635.
53. Synthesis and conformational analysis of hybrid α/β-dipeptides incorporating S-glycosyl-β²,²-amino acids. I. García-González, L. Mata, F. Corzana, G. Jiménez-Osés, A. Avenoza, J. H. Busto, J. M. Peregrina. Chem. Eur. J. 2015, 21, 1156–1168. DOI: 10.1002/chem.201405318.
52. Cycloadditions of Cyclohexynes and Cyclopentyne. J. M. Medina, T. C. McMahon, G. Jiménez-Osés, K. N. Houk, N. K. Garg, J. Am. Chem. Soc., 2014, 136, 14706−14709. DOI: 10.1021/ja508635v.
51. Substrate control in stereoselective lanthionine biosynthesis. W. Tan, G. Jiménez-Osés, K. N. Houk, W. A. van der Donk, Nat. Chem., 2015, 7, 57–64. DOI: 10.1038/nchem.2113.
50. Long range distance measurements in proteins at room temperature using saturation recovery EPR spectroscopy. Z. Yang, G. Jiménez-Osés, C. J. López, K. N. Houk, W. Hubbell, J. Am. Chem. Soc., 2014, 136, 15356−15365. DOI: 10.1021/ja5083206.
49. Solvent effects on polymer sorting of carbon nanotubes with applications in printed electronics. H. Wang, B. Hsieh, G. Jiménez-Osés, P. Liu, C. J. Tassone, Y. Diao, T. Lei, K. N. Houk, Z. Bao. Small, 2015, 11, 126–133. DOI: 10.1002/smll.201401890.
48. Experimental and theoretical study of gold(III)-catalyzed hydration of alkynes. J. Cordón, G. Jiménez-Osés, J. M. López-de-Luzuriaga, M. Monge, M. E. Olmos, Organometallics, 2014, 33, 3823–3830. DOI: 10.1021/om500523r.
47. Influence of amino acid stereocenters on the formation of bicyclic N,O acetals. G. Jiménez-Osés,* C. Aydillo, J. H. Busto, M. M. Zurbano, J. M. Peregrina, A. Avenoza. J. Org. Chem., 2014, 79, 2556–2563. DOI: 10.1021/jo500015c.
46. The role of distant mutations and allosteric regulation on LovD active site dynamics. G. Jiménez-Osés, S. Osuna, X. Gao,M. R. Sawaya, L. Gilson, S. J. Collier, G. Huisman, T. O. Yeates, Y. Tang, K. N. Houk, Nat. Chem. Biol. 2014, 10, 431–436. DOI: 10.1038/nchembio.1503. Cover.
45. Competition Between Concerted and Stepwise Dynamics in the Triplet Di-π-Methane Rearrangement. G. Jimenéz-Osés, P. Liu, R. A. Matute, K. N. Houk, Angew. Chem. Int. Ed., 2014, 126, 8808–8811. DOI: 10.1002/anie.201310237.
44. High-yield sorting of small-diameter carbon nanotubes for solar cells and transistors. H. Wang, G. I. Koleilat, P. Liu, G. Jiménez-Osés, Y.-C. Lai, M. Vosgueritchian, Y. Fang, S. Park, K. N. Houk, Z. Bao, ACS Nano, 2014, 8, 2609–2617. DOI: 10.1021/nn406256y .
43. Confined organization of fullerene units along high polymer chains. L. Fang, P. Liu, B. R. Sveinbjornsson, S. Atahan-Evrenk, K. Vandewal, S. Osuna, G. Jiménez-Osés, S. Shrestha, G. Giri, P. Wei, A. Salleo, A. Aspuru-Guzik, R. H. Grubbs, K. N. Houk, Z. Bao, J. Mater. Chem. C, 2013, 1, 5747–5755. DOI: 10.1039/C3TC31158A.
42. An iterative, bimodular nonribosomal peptide synthetase that converts anthranilate and tryptophan into tetracyclic asperlicins. X. Gao, W. Jiang, G. Jiménez-Osés, M. S. Choi, K. N. Houk, Y. Tang, C. T. Walsh, Chem. Biol. 2013, 20, 870–878. DOI: 10.1016/j.chembiol.2013.04.019.
41. Stereochemical outcome of copper-catalyzed C–H insertion reactions. An experimental and theoretical study. G. Jiménez-Osés,* E. Vispe, M. Roldán, S. Rodríguez-Rodríguez, P. López-Ram-de-Viu, L. Salvatella, J. A. Mayoral, J.M. Fraile, J. Org. Chem., 2013, 78, 5851–5857 DOI: 10.1021/jo400415b.
40. Mechanistic study of a Ru-xantphos catalyst for tandem alcohol dehydrogenation and reductive aryl-ether cleavage. S. C. Chmely, S. Kim, P. N. Ciesielski, G. Jiménez-Osés, R. S. Paton, G. T. Beckham, ACS Catal., 2013, 3, 963–974. DOI: 10.1021/cs400110r.
39. Mechanism of alkoxy groups substitution by Grignard reagents on aromatic rings and experimental verification of theoretical predictions of anomalous reactions. G. Jiménez-Osés, A. J. Brockway, J. T. Shaw, K. N. Houk. J. Am. Chem. Soc. 2013, 135, 6633–6642. DOI: 10.1021/ja4015937.
38. A dynamic combinatorial approach for the analysis of weak carbohydrate/aromatic complexes: dissecting facial selectivity in CH/π stacking interactions. A. G. Santana, E. Jiménez-Moreno, A. M. Gómez, F. Corzana, C. González, G. Jiménez-Oses, J. Jiménez-Barbero, J. Luis Asensio. J. Am. Chem. Soc. 2013, 135, 3347–3350. DOI: 10.1021/ja3120218.
37. Scalable and selective dispersion of semiconducting arc-discharged carbon nanotubes by dithiafulvalene/thiophene copolymers for thin film transistors. H. Wang, J. Mei, P. Liu, K. Schmidt, G. Jiménez-Oses S. Osuna, L. Fang, C. J. Tassone, A. P. Zoombelt, A. N. Sokolov, K. N. Houk, M. F. Toney, Z. Bao. ACS Nano, 2013, 7, 2659–2668. DOI: 10.1021/nn4000435.
36. Forming tertiary organolithiums and organocuprates from nitrile precursors and their bimolecular reactions with carbon electrophiles to form quaternary carbon stereocenters. M. J. Schnermann, N. L. Untiedt, G. Jiménez–Osés, K. N. Houk, L. E. Overman. Angew. Chem. Int. Ed. 2012, 51, 9581–9586. DOI: 10.1002/anie.201205001.
35. Evaluation of several catalytic systems for the epoxidation of methyl oleate using H2O2 as oxidant. M. de Torres, G. Jiménez-Osés, J. A. Mayoral, E. Pires, R. M. Blanco, O. Fernández. Catal. Today 2012, 195, 76–82. DOI: 10.1016/j.cattod.2012.05.005.
34. A highly efficient, green and recoverable catalytic system for the epoxidation of fatty esters and biodiesel with H2O2. M. de Torres, I. W.C.E. Arends, J. A. Mayoral, E. Pires, G. Jiménez-Osés*. Appl. Catal., A, 2012, 425-426, 91–96. DOI: 10.1016/j.apcata.2012.03.009.
33. A biomimetic approach to lanthionines. A. Avenoza, J. M. Peregrina, J. H. Busto, M. M. Zurbano, C. Aydillo, G. Jiménez-Osés. Org. Lett. 2012, 14, 334–337. DOI: 10.1021/ol203068s.
32. Glycerol ketals: synthesis and profits in biodiesel blends. Elísabet Pires, M. De Torres, G. Jiménez-Osés, J. A. Mayoral, M. De Los Santos. Fuel, 2012, 94, 614–616. DOI: 10.1016/j.fuel.2011.11.062.
31. A domino Michael/Dieckmann process as an entry to α-(hydroxymethyl)glutamic acid. C. Aydillo, G. Jiménez-Osés,* A. Avenoza, J. H. Busto, J. M. Peregrina, M. M. Zurbano. J. Org. Chem. 2011, 76, 6990–6996. DOI: 10.1021/jo201067n.
30. Stereocontrolled ring-opening of a hindered sulfamidate with nitrogen-containing aromatic heterocycles: synthesis of chiral quaternary imidazole derivatives. L. Mata, G. Jiménez-Osés, A. Avenoza, J. H. Busto, J. M. Peregrina. J. Org. Chem. 2011, 76, 4034–4042. DOI: 10.1021/jo200479y.
29. Accurate calculation of chemical shifts in highly dynamic H2@C60 through an integrated Quantum Mechanics/Molecular Dynamics scheme. G. Jiménez-Osés,* J. I. García, F. Corzana, J. Elguero. Org. Lett. 2011, 13, 2528–2531. DOI: 10.1021/ol2004116.
28. Fatty acid derivatives and their use as CFPP additives in biodiesel. M. De Torres, G. Jiménez-Osés, J. A. Mayoral, E. Pires. Biores. Tech. 2011, 102, 2590–2594. DOI: 10.1016/j.biortech.2010.10.004.
27. Can enantioselectivity be computed in enthalpic barrierless reactions? The case of Cu(I)-catalyzed cyclopropanation of alkenes. J. I. García, G. Jiménez-Osés,* J. A. Mayoral. Chem. Eur. J. 2011, 16, 529–539. DOI: 10.1002/chem.201001262.
26. Role of aromatic rings in the molecular recognition of aminoglycoside antibiotics: implications for drug design. T. Vacas, F. Corzana, G. Jiménez-Osés, C. González, A. M. Gómez, A. Bastida, J. Revuelta, J. L. Asensio. J. Am. Chem. Soc. 2010, 132, 12074–12090. DOI: 10.1021/ja1046439.
25. Stereoselectivity induced by support confinement effects. Aza-pyridinoxazolines: a new family of C1-symmetric ligands for copper-catalyzed enantioselective cyclopropanation reactions. J. I. García, G. Jiménez-Osés,* B. López-Sánchez, J. A. Mayoral, A. Vélez. Dalton Trans., 2010, 39, 2098–2107. DOI: 10.1039/b919274c.
24. Steric Control of α- and β-alkylation of azulenone intermediates in a guanacastepene A synthesis. H. Wang, K. Michalak, M. Michalak, G. Jiménez-Osés, J. Wicha, K. N. Houk. J. Org. Chem., 2010, 75, 762–766. DOI: 10.1021/jo902283a.
23. A novel multistep mechanism for the stereocontrolled ring opening of hindered sulfamidates: mild, green, and efficient reactivity with alcohols. G. Jiménez-Osés, A. Avenoza, J. H. Busto, J. M. Peregrina. Chem. Eur. J., 2009, 15, 9810–9823. DOI: 10.1002/chem.200900710.
22. Insights into the geometrical features underlying β-O-GlcNAc glycosylation: water pockets drastically modulate the interactions between the carbohydrate and the peptide backbone. A. Fernández-Tejada, F. Corzana, J. H. Busto, G. Jiménez-Osés, J. Jiménez-Barbero, A. Avenoza, J. M. Peregrina. Chem. Eur. J., 2009, 15, 7297–7301. DOI: 10.1002/chem.200901204.
21. The unusual reactivity of benzene and monosubstituted benzenes towards tetracyanoethylene oxide: a theoretical study. G. Jiménez-Osés,* J. Elguero, J. I. García. New J. Chem., 2009, 33, 471–478. DOI: 10.1039/b810220a.
20. α-Alkylation versus retro-O-Michael/γ-alkylation of bicyclic N,O-acetals: an entry to α-methylthreonine. C. Aydillo, A. Avenoza, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina, M. M. Zurbano. Tetrahedron, 2008, 19, 2829–2834. DOI: 10.1016/j.tetasy.2008.11.031.
19. Non-natural amino acids as modulating agents of the conformational space of model glycopeptides. A. Fernández-Tejada, F. Corzana, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina, A. Avenoza. Chem. Eur. J., 2008, 14, 7042–7058. DOI: 10.1002/chem.200800460.
18. Mechanistic insights on the site selectivity in successive 1,3-dipolar cycloadditions to meso-tetraarylporphyrins. G. Jiménez-Osés,* J. I. García, A. M.G. Silva, A. R.N. Santos, A. C. Tomé, M. G. P.M.S. Neves, J. A.S. Cavaleiro. Tetrahedron, 2008, 64, 7937–7943. DOI: 10.1016/j.tet.2008.06.018.
17. Surface confinement effects on enantioselective cyclopropanation. Reactions with supported chiral 8-oxazolinylquinoline−copper complexes. J. M. Fraile, J. I. García, G. Jiménez-Osés, J. A. Mayoral, M. Roldán. Organometallics, 2008, 27, 2246–2251. DOI: 10.1021/om7010408.
16. Highly chemoselective reactions of hindered sulfamidates with oxygen nucleophiles. G. Jiménez-Osés, A. Avenoza, J. H. Busto, J. M. Peregrina. Tetrahedron: Asymm., 2008, 19, 443–449. DOI: 10.1016/j.tetasy.2008.01.030.
15. Serine versus threonine glycosylation. The methyl group causes a drastic alteration on the carbohydrate orientation and on the surrounding water shell. F. Corzana, J. H. Busto, G. Jiménez-Osés, M. García de Luis, J. L. Asensio, J. Jiménez-Barbero, J. M. Peregrina, A. Avenoza. J. Am. Chem. Soc., 2007, 129, 9458–9467. DOI: 10.1021/ja072181b.
14. The role of the countercation in diastereoselective alkylations of pyramidalized bicyclic serine enolates. An easy approach to α-benzylserine. G. Jiménez-Osés, C. Aydillo, J. H. Busto, M. M. Zurbano, J. M. Peregrina, A. Avenoza. J. Org. Chem., 2007, 72, 5399–5402. DOI: 10.1021/jo070656b.
13. Theoretical evidence for pyramidalized bicyclic serine enolates in highly diastereoselective alkylations. C. Aydillo, G. Jiménez-Osés, J. H. Busto, J. M. Peregrina, M. M. Zurbano, A. Avenoza. Chem. Eur. J., 2007, 13, 4840–4848. DOI: 10.1002/chem.200601746.
12. Mechanistic study of the ring-size modulation in Michael-Dieckmann type reactions of 2-acylaminoacrylates with ketene diethyl acetal. A. Avenoza, J. H. Busto, N. Canal, J. I. García, G. Jiménez-Osés, J. M. Peregrina, M, Pérez-Fernández. New J. Chem., 2007, 31, 224–229. DOI: 10.1039/b615220a.
11. QM/MM modeling of enantioselective pybox-ruthenium and box-copper-catalyzed cyclopropanation reactions. Scope, performance and applications to ligand design. J. I. García, G. Jiménez-Osés, V. Martínez-Merino, J. A. Mayoral, E. Pires, I. Villalba. Chem. Eur. J., 2007, 13, 4064–4073. DOI: 10.1002/chem.200601358.
10. New insights into α-GalNAc-Ser motif: influence of hydrogen bonding versus solvent interactions on the preferred conformation. F. Corzana, J. H. Busto, G. Jiménez-Osés, J. L. Asensio, J. Jiménez-Barbero, J. M. Peregrina, A. Avenoza. J. Am. Chem. Soc., 2006, 128, 14640–14648. DOI: 10.1021/ja064539u.
9. Stereoselective synthesis of ortogonally protected α-methylnorlantionine. A. Avenoza, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina. Org. Lett., 2006, 8, 2855–2858. DOI: 10.1021/ol060993r.
8. Conformational analysis of 2-substituted cyclobutane-α-amino acid derivatives. A synergistic experimental and computational study. G. Jiménez-Osés, F. Corzana, J. H. Busto, M, Pérez-Fernández, J. M. Peregrina, A. Avenoza. J. Org. Chem., 2006, 71, 1869–1878. DOI: 10.1021/jo0521955.
7. SN2 reaction of sulfur nucleophiles with hindered sulfamidates: enantioselective synthesis of α-methylisocysteine. A. Avenoza, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina. J. Org. Chem., 2006, 71, 1692–1695. DOI: 10.1021/jo051632c.
6. Enantioselective synthesis of S-linked glycosyl-β2,2-amino acid derivatives by SN2 reaction on hindered sulfamidates. A. Avenoza, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina. Synthesis, 2006, 641–644. DOI: 10.1055/s-2006-926286.
5. A convenient enantioselective synthesis of (S)-α-trifluoromethylisoserine. A. Avenoza, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina. J. Org. Chem., 2005, 70, 5721–5724. DOI: 10.1021/jo0505371.
4. SN2 vs. E2 on quaternary centres: an easy approach to chiral β2,2-amino acids from cyclic sulfamidates. A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, J. M. Peregrina. Phosphorus, Sulfur Silicon Relat. Elem., 2005, 180, 1459–1460. DOI: 10.1080/10426500590913078.
3. SN2 vs. E2 on quaternary centres: an application to the synthesis of enantiopure β2,2-amino acids. A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, J. M. Peregrina. Chem. Commun., 2004, 980–981. DOI: 10.1039/b400282b.
2. New syntheses of enantiopure 2-methyl isoserines. A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, M. París, J. M. Peregrina, D. Sucunza, M. M. Zurbano. Tetrahedron: Asymm., 2004, 15, 131–137. DOI: 10.1016/j.tetasy.2003.09.051.
1. Conformational analysis of N-Boc-N,O-isopropylidene-α-serinals. A combined DFT and NMR study. A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, J. M. Peregrina. Tetrahedron, 2003, 59, 5713–5718. DOI: 10.1016/S0040-4020(03)00852-4.
ACS Omega 2025, 10, 4660–4669. DOI: 10.1021/acsomega.4c09367.
175. Doublet Spin State Mediated Photoluminescence Upconversion in Organic Radical Donor-Triplet Acceptor Dyads. J. M. O’Shea, Y. Ju, Yun Abdelqader, M. Jamhawi, F. Peccati, G. Jiménez-Osés,* A. Jean-Luc Ayitou*. J. Am. Chem. Soc. 2025, 147, 1017–1027. DOI: 10.1021/jacs.4c14303.
174. Mechanistic Insights into Chloride-Dependent Uncaging Reaction of Propargyl and Allene-Protected Substrates by Pd-Complexes. T. M. Ferreira, C. D. Navo, J. P. Agnes, F. Cardozo, D. C. de Oliveira, A. Zanotto-Filho, G. Jiménez-Osés,* J. B. Domingos.* Chem. Eur. J. 2025, e202403987. DOI: 10.1002/chem.202403987.
173. Exploring Glycan-Lectin Interactions in Natural-Like Environments: A View Using NMR Experiments Inside Cell and on Cell Surface. S. Bertuzzi, M. G. Lete, A. Franconetti, T. Diercks, S. Delgado, I. Oyenarte, M. J. Moure, R. Núñez-Franco, P. Valverde, M. P. Lenza, K. Sobczak, G. Jiménez-Osés, J. C. Paulson, A. Ardá,* J. Ereño-Orbea,* J. Jiménez-Barbero.* Chem. Eur. J. 2024, e202403102. DOI: 10.1002/chem.202403102.
172. AlphaFold2 Predicts Alternative Conformation Populations in Green Fluorescent Protein Variants. R. Núñez-Franco, M. M. Muriel-Olaya, G. Jiménez-Osés, F. Peccati.* J. Chem. Inf. Model. 2024, 64, 7135−7140. DOI: 10.1021/acs.jcim.4c01388.
171. Unveiling the GT114 family: Structural characterization of A075L, a glycosyltransferase from Paramecium bursaria chlorella virus-1 (PBCV-1). M. E. Laugieri, I. Speciale, A. Gimeno, S. Lin, B. W. Byers, A. Poveda, R. Núñez-Franco, I. Iturrioz, M. J. Moure, G. Jiménez-Osés, I. Russo-Krauss, A. Notaro, J. L. Van Etten, T. L. Lowary, J. Jimenez-Barbero, C. De Castro,* M. Tonetti,* A. L. Rojas.* Prot. Sci. 2024, 33, e5196. DOI: 10.1002/pro.5196.
170. Gold(III)-Induced Amide Bond Cleavage In Vivo: A Dual Release Strategy via π‑Acid Mediated Allyl Substitution. V. B. Unnikrishnan, V. Sabatino, F. Amorim, M. F. Estrada, C. D. Navo, G. Jiménez-Osés, R. Fior, G. J. L. Bernardes.* J. Am. Chem. Soc. 2024, 146, 23240−23251. DOI: 10.1021/jacs.4c05582.
169. Different roles of the heterodimer architecture of galectin-4 in selective recognition of oligosaccharides and lipopolysaccharides having ABH antigens. J. I. Quintana, M. Massaro, A. J. Cagnoni, R. Núñez-Franco, S. Delgado, G. Jiménez-Osés, K. V. Mariño, G. A. Rabinovich, J. Jiménez-Barbero,* A. Ardá.* J. Biol. Chem. 2024, 300, 107577. DOI: 10.1016/j.jbc.2024.107577.
168. Enriching productive mutational paths accelerates enzyme evolution. D. Patsch, T. Schwander, M. Voss, D. Schaub, S. Hüppi, M. Eichenberger, P. Stockinger, L. Schelbert, S. Giger, F. Peccati, G. Jiménez-Osés, M. Mutný, A. Krause, U. T. Bornscheuer, D. Hilvert, R. M. Buller.* Nat. Chem. Biol. 2024, 20, 1662–1669. DOI: 10.1038/s41589-024-01712-3.
167. Darobactin Substrate Engineering and Computation Show Radical Stability Governs Ether versus C−C Bond Formation.
A. M. Woodard, F. Peccati, C. D. Navo, G. Jiménez-Osés, D. A. Mitchell.* J. Am. Chem. Soc. 2024, 146, 14328−14340. DOI: 10.1021/jacs.4c03994.
166. Interplay Between Substrate Polarity and Protein Dynamics in Evolved Kemp Eliminases. F. Peccati, E. L. Noey, K. N. Houk, S. Osuna, G. Jiménez-Osés,* ChemCatChem 2024, 16, e202400444. DOI: 10.1002/cctc.202400444.
165. Interplay of chloride levels and palladium(II)-catalyzed O-deallenylation bioorthogonal uncaging reactions. G. M. Dal Forno, E. Latocheski, C. D. Navo, B. L. Albuquerque, A. L. St John, F. Avenier, G. Jiménez-Osés, J. B. Domingos.* Chem. Sci. 2024, 15, 4458−4465. DOI: 10.1039/D3SC06408E.
164. A Protein Misfolding Shaking Amplification-based method for the spontaneous generation of hundreds of bona fide prions. H. Eraña, C. Sampedro-Torres-Quevedo, J. M. Charco, C. M. Díaz-Domínguez, F. Peccati, M. San-Juan-Ansoleaga, E. Vidal, N. Gonçalves-Anjo, M. A. Pérez-Castro, E. González-Miranda, P. Piñeiro, L. Fernández-Veiga, J. Galarza-Ahumada, E. Fernández-Muñoz, G. Perez de Nanclares, G. Telling, M. Geijo, G. Jiménez-Osés, J. Castilla. Nat. Commun. 2024, 15, 2112. DOI: 10.1038/s41467-024-46360-2.
163. Improving Protein Expression, Stability, and Function with ProteinMPNN. K. H. Sumida, R. Núñez-Franco, I. Kalvet, S. J. Pellock, B. I. M. Wicky, L. F. Milles, J. Dauparas, J. Wang, Y. Kipnis, N. Jameson, A. Kang, J. De La Cruz, B. Sankaran, A. K. Bera, G. Jiménez-Osés, D. Baker.* J. Am. Chem. Soc. 2024, 146, 2054−2061. DOI: 10.1021/jacs.3c10941.
162. Experimental and Theoretical Analysis of the Thiol-Promoted Fragmentation of 2‑Halo-3-tosyl-oxanorbornadienes. M. Carranza, A. T. Carmona, C. D. Navo, I. Robina, S. Fratta, C. Newburn, G. Jiménez-Osés,* A. J. Moreno-Vargas* Org. Lett. 2023, 25, 7481−7485. DOI: 10.1021/acs.orglett.3c02548.
161. Merging the isonitrile-tetrazine (4+1) cycloaddition and the Ugi four-components reaction into a single multicomponent process. Y. Méndez, A. V. Vasco, G. Ivey, A. Laura Dias, P. Gierth, B. B. Sousa, C. D. Navo, A. Torres-Mozas, T. Rodrigues, G. Jiménez-Osés, Gonçalo J. L. Bernardes. Angew. Chem. Int. Ed. 2023, 62, e202311186. DOI: 10.1002/anie.202311186.
160. The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis. M. Eichenberger, T. Schwander, S. Hüppi, J. Kreuzer, P. R. E. Mittl, F. Peccati, G. Jiménez-Osés, M. Naesby, R. M. Buller. Nat. Catal. 2023, 6, 927–938. DOI: 10.1038/s41929-023-01018-y.
159. Expanding the Substrate Scope of Acyltransferase LovD9 for the Biosynthesis of Statin Analogues. G. García-Marquina, R. Núñez-Franco, D. Grajales-Hernández, G. Jiménez-Osés,* F. López-Gallego. Chem. Eur. J. 2023, 29, e202300911. DOI: 10.1002/chem.202300911. Cover.
158. Molecular Recognition of Glycan-Bearing Glycomacromolecules Presented at Membrane Surfaces by Lectins: An NMR View. M. G. Lete, M. Hoffmann, N. Schomann, A. Martínez-Castillo, F. Peccati, P. B. Konietzny, S. Delgado, N. L. Snyder, G. Jiménez-Osés, N. G. A. Abrescia, A. Ardá, L. Hartmann, J. Jiménez-Barbero. ACS Omega 2023, 8, 16883–16895. DOI: 10.1021/acsomega.3c00634.
157. Highly Diastereoselective Multicomponent Synthesis of Spirocyclopropyl Oxindoles Enabled by Rare-Earth Metal Salts. M. A. Tallarida, F. Olivito, C. D. Navo, V. Algieri, A. Jiritano, P. Costanzo, A. Poveda, M. J. Moure, J. Jiménez-Barbero, L. Maiuolo, G. Jiménez-Osés,* A. De Nino. Org. Lett. 2023, 25, 3001–3006. DOI: 10.1021/acs.orglett.3c00772.
156. Expanding Transition Metal-Mediated Bioorthogonal Decaging to Include C–C Bond Cleavage Reactions. G. M. Dal Forno, E. Latocheski, A. Beatriz Machado, J. Becher, L. Dunsmore, A. L. St. John, B. L. Oliveira, C. D. Navo, G. Jiménez-Osés, R. Fior, J. B. Domingos, G. J. L. Bernardes. J. Am. Chem. Soc. 2023, 145, 10790–10799. DOI: 10.1021/jacs.3c01960.
155. Unraveling the Photophysical Characteristics, Aromaticity, and Stability of π–Extended Acene-quinodimethyl Thioamides. G. Yang, Y. Ju Yun, F. Peccati, A. M. Jamhawi, S. Jockusch, G. Jiménez-Osés,* A. J.-L. Ayitou. ChemPhysChem 2023, e202200906. DOI: 10.1002/cphc.202200906.
154. Synthesis of Fluorescent Lanthipeptide Cytolysin S Analogues by Late-Stage Sulfamidate Ring Opening. N. Mazo, I. R. Rahman, C. D. Navo, J. M. Peregrina, J. H. Busto, W. A. van der Donk, G. Jiménez-Osés.* Org. Lett. 2023, 25, 1431–1435. DOI: 10.1021/acs.orglett.3c00122.
153. Iridium-Catalyzed ortho-Selective Borylation of Aromatic Amides Enabled by 5-Trifluoromethylated Bipyridine Ligands. D. Marcos-Atanes, C. Vidal, C. D. Navo, F. Peccati, G. Jiménez-Osés,* J. L. Mascareñas. Angew. Chem. Int. Ed. 2023, 62, e202214510. DOI: 10.1002/anie.202214510.
152. Accurate Prediction of Enzyme Thermostabilization with Rosetta Using AlphaFold Ensembles. F. Peccati, Sara Alunno-Rufini, and G. Jiménez-Osés.* J. Chem. Inf. Model. 2023, 63, 898–909. DOI: 10.1021/acs.jcim.2c01083.
151. Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. M. P. Lenza, U. Atxabal, C. Nycholat, I. Oyenarte, A. Franconetti, J. Imanol Quintana, S. Delgado, R. Núñez-Franco, C. T. Garnica Marroquín, H. Coelho, L. Unione, G. Jiménez-Osés, F. Marcelo, M. Schubert, J. C. Paulson, J. Jiménez-Barbero, J. Ereño-Orbea. JACS Au 2023, 3, 204–215.
DOI: 10.1021/jacsau.2c00592.
150. Regioselective Synthesis and Molecular Docking Studies of 1,5-Disubstituted 1,2,3-Triazole Derivatives of Pyrimidine Nucleobases. V. Algieri, P. Costanzo, M.A. Tallarida, F. Olivito, A. Jiritano, G. Fiorani, F. Peccati, G. Jiménez-Osés, L. Maiuolo, A. De Nino. Molecules 2022, 27, 8467. DOI: 10.3390/molecules27238467.
149. Studies on the Regioselective Rearrangement of Azanorbornanic Aminyl Radicals into 2,8-Diazabicyclo[3.2.1]oct-2-ene Systems. E. Gil de Montes, M. A. Tallarida, A. T. Carmona, C. D. Navo, I. Robina, P. Elías-Rodríguez, G. Jiménez-Osés,* A. J. Moreno-Vargas. J. Org. Chem. 2022, 87, 16483–16491. DOI: 10.1021/acs.joc.2c02201.
148. Conformationally Restricted β-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates. N. Mazo, C. D. Navo, F. Peccati, J. Andreo, C. Airoldi, G. Goldsztejn, P. Çarçabal, I. Usabiaga, M. Sodupe, S. Wuttke, J. H. Busto, J. M. Peregrina, E. J. Cocinero, G. Jiménez-Osés.* Chem. Eur. J. 2023, 29, e202202913. DOI: 10.1002/chem.202202913.
147. Protoglobin-Catalyzed Formation of cis-Trifluoromethyl-Substituted Cyclopropanes by Carbene Transfer. L. Schaus, A. Das, A. M. Knight, G. Jimenez-Osés, K. N. Houk, M. Garcia-Borràs, F. H. Arnold, X. Huang. Angew. Chem. Int. Ed. 2023, 62, e202208936. DOI: 10.1002/anie.202208936.
146. NMR Investigation of Protein-Carbohydrate Interactions: The Recognition of Glycans by Galectins Engineered with Fluorotryptophan Residues. M. G. Lete, A. Franconetti, S. Bertuzzi, S. Delgado, M. Azkargorta, F. Elortza, O. Millet, G. Jiménez-Osés, A. Arda, J. Jiménez-Barbero. Chem. Eur. J. 2023, 29, e202202208. DOI: 10.1002/chem.202202208.
145. Towards Enantiomerically Pure Unnatural α-Amino Acids via Photoredox Catalytic 1,4-Additions to a Chiral Dehydroalanine. P. Oroz, C. D. Navo, A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, J. M. Peregrina. J. Org. Chem. 2022, 87, 14308−14318. DOI: 10.1021/acs.joc.2c01774.
144. Stereoselective α-Deuteration of Serine, Cysteine, Selenocysteine, and 2,3-Diaminopropanoic Acid Derivatives. C. D. Navo, P. Oroz, N. Mazo, M. Blanco, J. M. Peregrina, G. Jiménez-Osés.* Org. Lett. 2022, 24, 6810−6815. DOI: 10.1021/acs.orglett.2c02715.
143. Immobilization of Biantennary N-Glycans Leads to Branch Specific Epitope Recognition by LSECtin. S. Bertuzzi, F. Peccati, S. Serna, R. Artschwager, S. Notova, M. Thépaut, G. Jiménez-Osés, F. Fieschi, N. C. Reichardt, J. Jiménez-Barbero, and Ana Ardá. ACS Cent. Sci. 2022, 8, 1415−1423. DOI: 10.1021/acscentsci.2c00719.
142. Immobilization and Stabilization of an Engineered Acyltransferase for the Continuous Biosynthesis of Simvastatin in Packed-Bed Reactors. G. García-Marquina. J. Langer, M. Sánchez-Costa, G. Jiménez-Osés,* F. López-Gallego. ACS Sustainable Chem. Eng. 2022, 10, 9899−9910. DOI: 10.1021/acssuschemeng.2c02279.
141. Synthesis of β2,2-Amino Acids by Stereoselective Alkylation of Isoserine Derivatives Followed by Nucleophilic Ring Opening of Quaternary Sulfamidates. P. Tovillas, C. D. Navo, P. Oroz, A. Avenoza, F. Corzana, M. M. Zurbano, G. Jiménez-Osés, J. H. Busto, J. M. Peregrina. J. Org. Chem. 2022, 87, 8730–8743. DOI: 10.1021/acs.joc.2c01034.
140. Platform for Orthogonal N-Cysteine-Specific Protein Modification Enabled by Cyclopropenone Reagents. A. Istrate, M. B. Geeson, C. D. Navo, B. B. Sousa, M. C. Marques, R. J. Taylor, T. Journeaux, S. R. Oehler, M. R. Mortensen, M. J. Deery, A. D. Bond, F. Corzana, G. Jiménez-Osés,* G. J. L. Bernardes. J. Am. Chem. Soc. 2022, 144, 10396−10406. DOI: 10.1021/jacs.2c02185.
139. Triplet photodynamic and up-conversion luminescence in donor–acceptor dyads with slip-stacked vs. co-facial arrangement. Y. Ju Yun, F. Peccati, G. P. Wiederrecht, D. J. Gosztola, B. T. Diroll, G. Jiménez-Osés, A. J.-L. Ayitou. J. Mater. Chem. C 2022, 10, 7093–7102. DOI: 10.1039/D1TC05122A.
138. Assessing the Mobility of Severe Acute Respiratory Syndrome Coronavirus-2 Spike Protein Glycans by Structural and Computational Methods. S. Stagnoli, F. Peccati, S. R. Connell, A. Martinez-Castillo, D. Charro, O. Millet, C. Bruzzone, A. Palazon, A. Ardá, J. Jiménez-Barbero, J. Ereño-Orbea, N. G. A. Abrescia, G. Jiménez-Osés.* Front. Microbiol. 2022, 13, 870938. DOI: 10.3389/fmicb.2022.870938.
137. Single Mutation on Trastuzumab Modulates the Stability of Antibody–Drug Conjugates Built Using Acetal-Based Linkers and Thiol-Maleimide Chemistry. X. Ferhati, E. Jiménez-Moreno, E. A. Hoyt, G. Salluce, M. Cabeza-Cabrerizo, C. D. Navo, I. Compañón, P. Akkapeddi, M. J. Matos, N. Salaverri, P. Garrido, A. Martínez, V. Laserna, T. V. Murray, G. Jiménez-Osés, P. Ravn, G. J. L. Bernardes, F. Corzana. J. Am. Chem. Soc. 2022, 144, 5284–5294. DOI: 10.1021/jacs.1c07675.
136. Synthesis and Photophysics of Phenylene Based Triplet Donor–Acceptor Dyads: ortho vs. para Positional Effect on Intramolecular Triplet Energy Transfer. Y. Ju Yun, M. K. Manna, N. Kamathama, J. Li, S. Liu, F. Peccati, B. C. Pemberton, G. P. Wiederrecht, D. J. Gosztola, G. Jiménez-Osés, A. Yu Rogachev, A. J.-L. Ayitou. J. Photochem. Photobiol. 2022, 10, 100112. DOI: 10.1016/j.jpap.2022.100112.
135. Controlled masking and targeted release of redox-cycling ortho-quinones via a C–C bond-cleaving 1,6-elimination. L. Dunsmore, C. D. Navo, J. Becher, E. Gil de Montes, A. Guerreiro, E. Hoyt, L. Brown, V. Zelenay, S. Mikutis, J. Cooper, I. Barbieri, S. Lawrinowitz, E. Siouve, E. Martin, P. R. Ruivo, T. Rodrigues, F. P. da Cruz, O. Werz, G. Vassiliou, P. Ravn, G. Jiménez-Osés,* Gonçalo J. L. Bernardes. Nat. Chem. 2022, 14, 754–765. DOI: 10.1038/s41557-022-00964-7.
134. Deconvoluting the directed evolution pathway of engineered acyltransferase LovD. G. García-Marquina, R. Núñez-Franco, F. Peccati, Y. Tang, G. Jiménez-Osés,* F. López-Gallego. ChemCatChem 2022, 14, e202101349. DOI: 10.1002/cctc.202101349.
133. Bacteriophage PRD1 as a nanoscaffold for drug loading. H. M. E. Duyvesteyn, I. Santos-Pérez, F. Peccati, A. Martinez-Castillo, T. S. Walter, D. Reguera, F. M. Goñi, G. Jiménez-Osés, H. M. Oksanen, D. I. Stuart, N. G. A. Abrescia. Nanoscale 2021, 13, 19875–19883. DOI: 10.1039/D1NR04153C.
132. Substrate Sequence Controls Regioselectivity of Lanthionine Formation by ProcM. T. Le, K. J. D. Fouque, M. Santos-Fernandez, C. D. Navo, G. Jiménez-Osés, R. Sarksian, F. A. Fernandez-Lima, W. A. van der Donk. J. Am. Chem. Soc. 2021, 143, 18733−18743. DOI: 10.1021/jacs.1c09370.
131. Unveiling the role of pyrylium frameworks on p-stacking interactions: a combined ab initio and experimental study. R. Núñez-Franco, G. Jiménez-Osés, J. Jiménez-Barbero, F. Cabrera-Escribano, A. Franconetti. Phys. Chem. Chem. Phys. 2021, 24, 1965−1973. DOI: 10.1039/d1cp02622d. Cover.
130. Computer Prediction of pKa Values in Small Molecules and Proteins. C. D. Navo, G. Jiménez-Osés.* ACS Med. Chem. Lett. 2021, 12, 1624−1628. DOI: 10.1021/acsmedchemlett.1c00435.
129. Nucleophilic catalysis of p-substituted aniline derivatives in acylhydrazone formation and exchange. A. Canal-Martín, C. D. Navo, E. Sáez, D. Molero, G. Jiménez-Osés,* R. Pérez-Fernández. Org. Biomol. Chem. 2021, 19, 7202–7210. DOI: 10.1039/d1ob00871d.
128. Arylethynyltrifluoroborate Dienophiles for on Demand Activation of IEDDA Reactions. Z. Zawada, Z. Guo, B. L. Oliveira, C. D. Navo, H. Li, P. M. S. D. Cal, F. Corzana, G. Jiménez-Osés,* G. J. L. Bernardes. Bioconjugate Chem. 2021, 32, 1812−1822. DOI: 10.1021/acs.bioconjchem.1c00276.
127. A Computational Perspective on Molecular Recognition by Galectins. R. Núñez-Franco, F. Peccati, G. Jiménez-Osés.* Curr. Med. Chem. 2021, 28, 1−13. DOI: 10.2174/0929867328666210804093058.
126. Structural insight into the unique conformation of cystathionine β-synthase from Toxoplasma gondii. C. Fernández-Rodríguez, I. Oyenarte, C. Conter, I. González-Recio, R. Núñez-Franco, C. Gil-Pitarch, I. Quintana, G. Jiménez-Osés, P. Dominici, M. L. Martinez-Chantar, A. Astegno, L. A. Martínez-Cruz. Comput. Struct. Biotechnol. J. 2021, 19, 3542–3555. DOI: 10.1016/j.csbj.2021.05.052.
125. 1,2-Oxa/Thia-3-Azoles (Included in Volume 6, Other Five-Membered Rings With Three or More Heteroatoms, and Their Fused Carbocyclic Derivatives). C. D Navo, F. Peccati, N. Mazo Arribas, R. Núñez-Franco, G. Jiménez-Osés.* Comprehensive Heterocyclic Chemistry IV 2022, 1−55. DOI: 10.1016/B978-0-12-818655-8.00115-3.
124. Biotin-phenosafranin as a new photosensitive conjugate for targeted therapy and imaging. A. Błauż, B. Rychlik, D. Plazuk, F. Peccati, G. Jiménez-Osés, U. Steinke, M. Sierant, K. Trzeciak, E. Skorupska, B. Miksa. New J. Chem. 2021, 45, 9691–9702. DOI: 10.1039/D0NJ06170K.
123. Origin and Control of Chemoselectivity in Cytochrome c Catalyzed Carbene Transfer into Si−H and N−H bonds. M. Garcia-Borras, S. B. J. Kan, R. D. Lewis, A. Tang, G. Jimenez-Osés, F. H. Arnold, K. N. Houk. J. Am. Chem. Soc. 2021, 143, 7114−7123. DOI: 10.1021/jacs.1c02146.
122. The two domains of human galectin-8 bind sialyl- and fucose-containing oligosaccharides in an independent manner. A 3D view by using NMR. M. Gómez-Redondo, S. Delgado, R. Núñez-Franco, G. Jiménez-Osés, A. Ardá, J. Jiménez-Barbero, A. Gimeno. RSC Chem. Biol. 2021, 2, 932–941. DOI: 10.1039/d1cb00051a
121. Enthalpy−Entropy Compensation in Biomolecular Recognition: A Computational Perspective. F. Peccati, G. Jiménez-Osés.* ACS Omega 2021, 6, 11122−11130. DOI: 10.1021/acsomega.1c00485.
120. Cosolute modulation of protein oligomerization reactions in the homeostatic timescale. B. Mateos, G. Bernardo-Seisdedos, V. Dietrich, N. Zalba, G. Ortega, F. Peccati, G. Jiménez-Osés, R. Konrat, M. Tollinger, O. Millet. Biophys. J. 2021, 120, 2067–2077. DOI: 10.1016/j.bpj.2021.03.020.
119. Galectin-4 N-Terminal Domain: Binding Preferences Toward A and B Antigens With Different Peripheral Core Presentations. J. I. Quintana, S. Delgado, R. Núñez-Franco, F. Javier Cañada, G. Jiménez-Osés, J. Jiménez-Barbero, A. Ardá. Front. Chem. 2021, 9, 664097. DOI: 10.3389/fchem.2021.664097.
118. Towards Enantiomerically Pure β-Seleno-α-amino Acids via Stereoselective Se-Michael Additions to Chiral Dehydroalanines. P. Oroz, C. D. Navo, A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, Jesús M. Peregrina. Org. Lett. 2021, 23, 1955–1959. DOI: 10.1021/acs.orglett.0c03832. Cover.
117. A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance. J. M. Mancheño, E. Atondo, J. Tomás-Cortázar, J. L. Lavín, L. Plaza-Vinuesa, I. Martín-Ruiz, D. Barriales, A. Palacios, C. D. Navo, L. Sampedro, A. Peña-Cearra, M. Á. Pascual-Itoiz, J. Castelo, A. Carreras-González, D. Castellana, A. Pellón, S. Delgado, P. Ruas-Madiedo, B. de las Rivas, L. Abecia, R. Muñoz, G. Jiménez-Osés, J. Anguita, H. Rodríguez. Microb. Biotechnol. 2022, 15, 648–667. DOI: 10.1111/1751-7915.13732.
116. Replacing the rhamnose–xylose moiety of QS‐21 with simpler terminal disaccharide units attenuates adjuvant activity in truncated saponin variants. R. Fuentes, A. Ruiz-de-Angulo, N. Sacristán, C. Daniel Navo, G. Jiménez-Osés, J. Anguita, A. Fernández-Tejada. Chem. Eur. J. 2021, 27, 4731–4737. DOI: 10.1002/chem.202004705.
115. Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold. S. Basler, Sabine Studer, Y. Zou, T. Mori, Y. Ota, A. Camus, A. Bunzel, R. C. Helgeson, K. N. Houk, G. Jiménez-Osés,* D. Hilvert. Nat. Chem. 2021, 13, 231–235. DOI: 10.1038/s41557-020-00628-4.
114. Identification of Isomeric N-glycans by Conformer Distribution Fingerprinting using Ion Mobility-Mass Spectrometry. J. Sastre-Toraño, O. Aizpurua-Olaizola, N. Wei, T. Li, L. Unione, G. Jiménez-Osés, F. Corzana, V. J Somovilla, J. M. Falcon-Perez, G.-J. Boons. Chem. Eur. J. 2021, 27, 2149–2154. DOI: 10.1002/chem.202004522.
113. Sequential dual site-selective protein labelling enabled by lysine modification. M. J. Matos, L. Brown, B. Bernardim, A. Guerreiro, G. Jiménez-Osés, G. J. L. Bernardes. Bioorg. Med. Chem. 2020, 28, 115783. DOI: 10.1016/j.bmc.2020.115783.
112. Structural characterization of the N-linked glycans in the receptor binding domain of the SARS-CoV-2 spike protein and their interactions with human lectins using NMR spectroscopy. M. P. Lenza, I. Oyenarte, T. Diercks, J. I. Quintana, A. Gimeno, A. Bosch, H. Coelho, A. Diniz, F. Peccati, S. Delgado, M. Valle, O. Millet, N. G. A. Abrescia, A. Palazón, F. Marcelo, G. Jiménez-Osés, J. Jiménez-Barbero, A. Ardá, J. Ereño-Orbea. Angew. Chem. Int. Ed. 2020, 59, 23763–23771. DOI: 10.1002/anie.202011015. Very Important Paper.
111. Unravelling the time scale of conformational plasticity and allostery in glycan recognition by human galectin‐1. S. Bertuzzi, A. Gimeno, R. Núñez-Franco, G. Bernardo-Seisdedos, S. Delgado, G. Jiménez-Osés, O. Millet, J. Jiménez-Barbero, A. Ardá. Chem. Eur. J. 2020, 26, 15643–15653. DOI: 10.1002/chem.202003212.
110. Selective modification of sulfamidate-containing peptides. N. Mazo, C. D. Navo, J. M. Peregrina, J. H. Busto, G. Jiménez-Osés.*
Org. Biomol. Chem. 2020, 18, 6265–6275. DOI: 10.1039/d0ob01061h. Cover.
109. Dissecting the Essential Role of Anomeric β-Triflates in Glycosylation Reactions. A. G. Santana, L. Montalvillo-Jiménez, L. Díaz-Casado, F. Corzana, P. Merino, F. J. Cañada, G. Jiménez-Osés, J. Jiménez-Barbero, A. M. Gómez, J. L. Asensio. J. Am. Chem. Soc. 2020, 142, 2501–12514. DOI: 10.1021/jacs.0c05525.
108. Precise Installation of Diazo-Tagged Side-Chains on Proteins to Enable In Vitro and In-Cell Site-Specific Labeling. B. Bernardim, L. Dunsmore, H. Li, B. Hocking, R. Núñez-Franco, C. D. Navo, G. Jiménez-Osés, A. C. B. Burtoloso, G. J. L. Bernardes. Bioconjugate Chem. 2020, 31, 1604–1610. DOI: 10.1021/acs.bioconjchem.0c00232. ACS Editor's Choice.
107. Synthesis and Structural Analysis of Aspergillus fumigatus Galactosaminogalactans Featuring α-Galactose, α-Galactosamine and α-N-Acetyl Galactosamine Linkages. Y. Zhang, M. Gómez-Redondo, G. Jiménez-Osés, A. Arda, H. S. Overkleeft, G. A. van der Marel, J. Jiménez-Barbero, J. D. C. Codée. Angew. Chem. Int. Ed. 2020, 59, 12746–12750. DOI: 10.1002/anie.202003951.
106. Synthesis of Nβ-Substituted α,β-Diamino Acids via Stereoselective N-Michael Additions to a Chiral Bicyclic Dehydroalanine. C. D. Navo, Nuria Mazo, P. Oroz, M. I. Gutiérrez-Jiménez, J. Marín, J. Asenjo, A. Avenoza, J. H. Busto, F. Corzana, M. M. Zurbano, G. Jiménez-Osés, J. M. Peregrina. J. Org. Chem. 2020, 85, 3134–3145. DOI: 10.1021/acs.joc.9b03020.
105. Stable Pyrrole-Linked Bioconjugates through Tetrazine-Triggered Azanorbornadiene Fragmentation. E. Gil de Montes, A. Istrate, C. D. Navo, E. Jiménez-Moreno, E. A. Hoyt, F. Corzana, I. Robina, G. Jiménez-Osés,* Antonio J. Moreno-Vargas, G. J. L. Bernardes. Angew. Chem. Int. Ed. 2020, 59, 6196–6200 . DOI: 10.1002/anie.201914529.
104. Lanthionine Peptides by S-Alkylation with Substituted Cyclic Sulfamidates Promoted by Activated Molecular Sieves: Effects of the Sulfamidate Structure on the Yield. S. De Luca, G. Digilio, V. Verdoliva, P. Tovillas, G. Jiménez-Osés, J. M. Peregrina, J. Org. Chem. 2019, 84, 14957-14964. DOI: doi.org/10.1021/acs.joc.9b02306.
103. Impact of Aromatic Stacking on Glycoside Reactivity: Balancing CH/π and Cation/π Interactions for the Stabilization of Glycosyl-Oxocarbenium Ions. L. Montalvillo-Jiménez, A. G. Santana, F. Corzana, G. Jiménez-Osés, J. Jiménez-Barbero, A. M. Gómez, J. Luis Asensio, J. Am. Chem. Soc. 2019, 141, 13372-13384. DOI: doi.org/10.1021/jacs.9b03285.
102. Enhancement of the Anti-Aggregation Activity of a Molecular Chaperone Using a Rationally Designed Post-Translational Modification. P. R. Lindstedt, F. A. Aprile, M. J. Matos, M. Perni, J. B. Bertoldo, B. Bernardim, Q. Peter, G. Jiménez-Osés, T. P. J. Knowles, C. M. Dobson, F. Corzana, M. Vendruscolo, G.J. L. Bernardes, ACS Cent. Sci. 2019, 5, 8, 1417-1424. DOI: 10.1021/acscentsci.9b00467.
101. Lysine Bioconjugation on Native Albumin with a Sulfonyl Acrylate Reagent. M.J. Matos, G. Jiménez-Osés, J. L. Bernardes. In: Massa S., Devoogdt N. (eds) Bioconjugation. Methods in Molecular Biology, vol 2033 (2019). Humana, New York, NY. DOI: 10.1007/978-1-4939-9654-4_3.
100. Tetrazine‐Triggered Release of Carboxylic‐Acid‐Containing Molecules for Activation of an Anti‐inflammatory Drug. S. Davies, L. Qiao, B. L. Oliveira, C. D. Navo, G. Jiménez‐Osés, G. J. L. Bernardes. ChemBioChem 2019, 20, 1541-1546 (ChemBioTalents special issue). DOI: 10.1002/cbic.201900098.
99. Azabicyclic vinyl sulfones for residue-specific dual protein labelling. E. Gil de Montes, E. Jiménez-Moreno, B. L. Oliveira, C. D. Navo, P. M. S. D. Cal, G. Jiménez-Osés, I. Robina, A. J. Moreno-Vargas, G. J. L. Bernardes. Chem Sci. 2019, 10, 4515–4522. DOI: 10.1039/C9SC00125E.
98. Quaternization of Vinyl/Alkynyl Pyridine Enables Ultrafast Cysteine-Selective Protein Modification and Charge Modulation. M. J. Matos, C. D. Navo, T. Hakala, X. Ferhati, A. Guerreiro, D. Hartmann, B. Bernardim, K. L. Saar, I. Compañón, F. Corzana, T. P. J. Knowles, G.Jiménez-Osés,* G. J. L. Bernardes. Angew. Chem. Int. Ed. 2019, 58, 6640–6644. DOI: 10.1002/ange.201901405.
97. Structure-based design of potent tumor-associated antigens: modulation of peptide presentation by single atom O/S or O/Se substitutions at the glycosidic linkage. I. Compañón, A. Guerreiro, V. Mangini, J. Castro-López, M. Escudero-Casao, A. Avenoza, J. H. Busto, S. Castillón, J. Jiménez-Barbero, J. L. Asensio, G. Jiménez-Osés, O. Boutureira, J. M. Peregrina, R. Hurtado-Guerrero, R. Fiammengo, G. J.L. Bernardes, F. Corzana. J. Am. Chem. Soc. 2019 141, 4063–4072. DOI: 10.1021/jacs.8b13503.
96. Insights into AMS/PCAT transporters from biochemical and structural characterization of a double Glycine motif protease. S. C Bobeica, S. Dong, L. Huo, N. Mazo, M. I. H. McLaughlin, G. Jiménez-Osés, S. K Nair, W. A. van der Donk. eLife, 2019, 8, e42305. DOI: 10.7554/eLife.42305.
95. Elusive Dehydroalanine Derivatives with Enhanced Reactivity. C. Aydillo, N. Mazo, C. D. Navo, G. Jiménez-Osés.* ChemBioChem, 2019, 20, 1246 –1250. (ChemBioTalents special issue). DOI: 10.1002/cbic.201800758. Cover.
94. Oxygen by Carbon Replacement at the Glycosidic Linkage Modulates the Sugar Conformation in Tn Antigen Mimics. C. D. Navo, I. A. Bermejo, P. Oroz, P. Tovillas, I. Compañón, C. Matías, A. Avenoza, J. H. Busto, M. M. Zurbano, G. Jiménez-Osés, F. Corzana, J. M. Peregrina, ACS Omega, 2018, 3, 18142–18152. DOI: 10.1021/acsomega.8b02576.
93. A Late-Stage Synthetic Approach to Lanthionine-Containing Peptides via S‑Alkylation on Cyclic Sulfamidates Promoted by Molecular Sieves. S. De Luca, G. Digilio, V. Verdoliva, M. Saviano, V. Menchise, P. Tovillas, G. Jiménez-Osés, J. M. Peregrina. Org. Lett. 2018, 20, 7478−7482. DOI: 10.1021/acs.orglett.8b03254.
92. Radical-Mediated Thiol-Ene Strategy: Photoactivation of Thiol-Containing Drugs in Cancer Cells. S. Sun, B. L. Oliveira, G. Jiménez-Osés, G. L. Bernardes. Angew. Chem. Int. Ed. 2018, 57,15832–15835. DOI: 10.1002/anie.201811338.
91. Efficient and irreversible antibody-cysteine bioconjugation using carbonylacrylic reagents. B. Bernardim, M. J. Matos, X. Ferhati, I. Compañón, A. Guerreiro, P. Akkapeddi, A. C. B. Burtoloso, G. Jiménez-Osés, F. Corzana, G. J. L. Bernardes. Nat. Protoc. 2019, 14, 86–99. DOI: 10.1038/s41596-018-0083-9.
90. Water Sculpts the Distinctive Shapes and Dynamics of the Tn Antigens: Implications for their Molecular Recognition.
I. A. Bermejo, I. Usabiaga, I. Compañón, J. Castro-López, A. Insausti, J. A. Fernández, A. Avenoza, J. H. Busto, J. Jiménez-Barbero, J. L. Asensio, J. M. Peregrina, G. Jiménez-Osés, R. Hurtado-Guerrero, E. J. Cocinero, F. Corzana. J. Am. Chem. Soc., 2018, 140, 9952–9960. DOI: 10.1021/jacs.8b04801.
89. The Conformation of the Mannopyranosyl Phosphate Repeating Unit of the Capsular Polysaccharide of Neisseria meningitidis Serogroup A and Its Carba‐Mimetic. I. Calloni, L. Unione, G. Jiménez‐Osés, F. Corzana, L. Del Bino, A. Corrado, O. Pitirollo, C. Colombo, L. Lay, R. Adamo, J. Jiménez‐Barbero. Eur. J. Org. Chem. 2018, 4548–4555. DOI: 10.1002/ejoc.201801003.
88. Substrate-assisted Enzymatic Formation of Lysinoalanine in Duramycin. L. An, D. P. Cogan, C. D. Navo, G. Jiménez-Osés, S. K. Nair, W. A. van der Donk. Nat. Chem. Biol. 2018, 14, 928–933. DOI: 10.1038/s41589-018-0122-4.
87. Tn Antigen Mimics by Ring-Opening of Chiral Cyclic Sulfamidates with Carbohydrate C1-S- and C1-O-Nucleophiles P. Tovillas, I. García, P. Oroz, N. Mazo, A. Avenoza, F. Corzana, G. Jiménez-Osés, J. H. Busto, J. M. Peregrina. J. Org. Chem., 2018, 83, 4973–4980. DOI: 10.1021/acs.joc.7b03225.
86. Cell-Penetrating Peptides Containing Fluorescent D-Cysteines. C. D. Navo, A. Asín, E. Gómez-Orte, M. I. Gutiérrez-Jiménez, I. Compañón, B. Ezcurra, A. Avenoza, J. H. Busto, F. Corzana, M. M. Zurbano, G. Jiménez-Osés, J. Cabello, J. M. Peregrina. Chem. Eur. J. 2018, 24, 7991–8000. DOI: 10.1002/chem.201800603.
85. Chemo and regioselective lysine modification on native proteins. M. Matos, B. Oliveira, N. Martínez-Sáez, A. Guerreiro, P. M. S. D. Cal, J. Bertoldo, M. Maneiro, E. Perkins, J. Howard, M. Deery, J. M. Chalker, F. Corzana, G. Jiménez-Osés,* G. J.L. Bernardes. J. Am. Chem. Soc., 2018, 140, 4004–4017. DOI: 10.1021/jacs.7b12874.
84. Chemoselective installation of amine bonds on proteins through aza-michael ligation. A. M. Freedy, M. J. Matos, O. Boutureira, F. Corzana, A. Guerreiro, P. Akkapeddi, V. J. Somovilla, T. Rodrigues, K. Nicholls, B. Xie, G. Jiménez-Osés, K. M. Brindle, A. A. Neves, G. J. L. Bernardes. J. Am. Chem. Soc., 2017, 139, 18365–18375. DOI: 10.1021/jacs.7b10702.
83. Substituent effects on the reactivity of cyclic tertiary sulfamidates. C. D. Navo, N. Mazo, A. Avenoza, J. H. Busto, J. M. Peregrina, G. Jiménez-Osés*. J. Org. Chem., 2017, 82, 13250–13255. DOI: 10.1021/acs.joc.7b02352.
82. The interdomain flexible linker of the polypeptide GalNAc transferases dictates their long-range glycosylation preferences. M. de las Rivas, E. Lira-Navarrete, E. J. P. Daniel, I. Compañón, H. Coelho, A. Diniz, J. Jiménez-Barbero, J. M. Peregrina, H. Clausen, F. Corzana, F. Marcelo, G. Jiménez-Osés, T. A. Gerken, R. Hurtado-Guerrero. Nat. Commun. 2017, 8, 1959. DOI: 10.1038/s41467-017-02006-0.
81. The key role of Au-substrate interactions in catalytic gold subnanoclusters. J. Cordón, G. Jiménez-Osés,* J. M. López-de-Luzuriaga, M. Monge. Nat. Commun. 2017, 8, 1657. DOI: 10.1038/s41467-017-01675-1.
80. Computational design of protein function. M. Garcia-Borras, K. N. Houk, G. Jiménez-Osés*. In Computational tools for chemical biology; S. Martín-Santamaría, Ed. Royal Society of Chemistry. 2017.
79. Oxidative activation of C−S bonds with an electropositive nitrogen promoter enables orthogonal glycosylation of alkyl over phenyl thioglycosides. A. Kitowski, E. Jiménez-Moreno, M. Salvadó, J. Mestre, S. Castillón, G. Jiménez-Osés,* O. Boutureira, G. J. L. Bernardes. Org. Lett. 2017, 19, 5490−5493. DOI: 10.1021/acs.orglett.7b02886.
78. A single active site mutation in the pikromycin thioesterase generates a more effective macrocyclization catalyst. A. A. Koch, D. A. Hansen, V. V. Shende, L. R. Furan, K. N. Houk, G. Jiménez-Osés,* D. H. Sherman. J. Am. Chem. Soc. 2017, 139, 13456−13465. DOI: 10.1021/jacs.7b06436.
77. Metal-free [2+2]-photocycloaddition of (Z)‑4-aryliden-5(4H)‑oxazolones as straightforward synthesis of 1,3-diaminotruxillic acid precursors: synthetic scope and mechanistic studies. A. García-Montero, A. M. Rodriguez, A. Juan, A. H. Velders, A. Denisi, G. Jiménez-Osés, E. Gómez-Bengoa, C. Cativiela, M. Victoria Gómez, E. P. Urriolabeitia. ACS Sustainable Chem. Eng. 2017, 5, 8370−8381. DOI: 10.1021/acssuschemeng.7b02140.
76. Multiple mechanisms for the thermal decomposition of metallaisoxazolin-5-ones from computational investigations. Chen-Chen Zhou, M. F. Hawthorne, K. N. Houk, G. Jiménez-Osés.* J. Org. Chem. 2017, 82, 8438−8443. DOI: 10.1021/acs.joc.7b01169.
75. 1,3-Dipolar cycloaddition reactions of low-valent Rhodium and Iridium complexes with arylnitrile N‑oxides. I. Ugur, S. A. Cinar, B. Dedeoglu, V. Aviyente, M. F. Hawthorne, P. Liu, F. Liu, K. N. Houk, G. Jiménez-Osés.* J. Org. Chem. 2017, 82, 5096−5101. DOI: 10.1021/acs.joc.7b00282.
74. Vinyl ether/tetrazine pair for the traceless release of alcohols in cells. E. Jiménez-Moreno, Z. Guo, B. L. Oliveira, I. S. Albuquerque, A. Kitowski, A. Guerreiro, O. Boutureira, T. Rodrigues, G. Jiménez-Osés, G. J. L. Bernardes. Angew. Chem. Int. Ed. 2017, 56, 243–247. DOI: 10.1002/anie.201609607.
73. A minimal, unstrained S-allyl handle for pre-targeting Diels–Alder bioorthogonal labeling in live cells. B. L. Oliveira, Z. Guo, O. Boutureira, A. Guerreiro, G. Jiménez-Osés, G. J. L. Bernardes. Angew. Chem. Int. Ed. 2016, 55, 14683–14687. DOI: 10.1002/anie.201608438.
72. Stoichiometric and irreversible cysteine-selective protein modification using carbonylacrylic reagents. B. Bernardim, P. M.S.D. Cal, M. J. Matos, B. L. Oliveira, N. Martínez-Sáez, Inés S. Albuquerque, E. Perkins, F. Corzana, A. C.B. Burtoloso, G. Jiménez-Osés, G. J.L. Bernardes. Nat. Commun. 2016, 7, 13128 DOI:10.1038/ncomms13128.
71. Tn Antigen Mimics based on sp2-Iminosugars with affinity for an anti-MUC1 antibody. E. M. Sánchez Fernández, C. D. Navo, N. Martínez-Saez, R. Gonçalves-Pereira, A. Avenoza, J. H. Busto, G. J. L. Bernardes, G. Jiménez-Osés, F. Corzana, J. M. García Fernández, C. Ortiz Mellet, J. M. Peregrina, Org. Lett., 2016, 18, 3890–3893. DOI: 10.1021/acs.orglett.6b01899.
70. Bifunctional chiral dehydroalanines for peptide coupling and stereoselective S-Michael addition. M. I. Gutiérrez-Jiménez, C. Aydillo, C. D. Navo, A. Avenoza, F. Corzana, G. Jiménez-Osés, M. M. Zurbano, J. H. Busto, J. M. Peregrina. Org. Lett., 2016, 18, 2796–2799. DOI: 10.1021/acs.orglett.6b00840.
69. Finding the right candidate for the right position: a fast NMR-assisted combinatorial method for optimizing nucleic acids binders. E. Jiménez-Moreno, L. Montalvillo-Jiménez, A. G. Santana, A. M. Gómez, G. Jiménez-Osés, F. Corzana, A. Bastida, J. Jiménez-Barbero, F. Javier Cañada, I. Gómez-Pinto, C. González, J. L. Asensio, J. Am. Chem. Soc., 2016, 138, 6463−6474. DOI: 10.1021/jacs.6b00328.
68. Computations reveal that electron-withdrawing leaving groups facilitate Intramolecular Conjugate Displacement reactions by negative hyperconjugation. E. Noey, G. Jiménez-Osés, D. Clive, K. N. Houk, J. Org. Chem., 2016, 81, 4290−4294 DOI: 10.1021/acs.joc.6b00691.
67. A proactive role of water molecules in acceptor recognition by Protein-O-fucosyltransferase 2. J. Valero-González, C. Leonhard-Melief, E. Lira-Navarrete, G. Jiménez-Osés, C. Hernández-Ruiz, M. Carmen Pallarés, I. Yruela, D. Vasudevan, A. Lostao, F. Corzana, H. Takeuchi, R. S. Haltiwanger, R. Hurtado-Guerrero, Nat. Chem. Biol., 2016, 12, 240−246. DOI: 10.1038/nchembio.2019.
66. Origins of Stereoselectivity in Evolved Ketoredutases. E. L. Noey, N. Tibrewal, G. Jiménez-Osés, S. Osuna, J. Park, C. Bond, D. Cascio, J. Liang, X. Zhang, G. Huisman, Y. Tang, K. N. Houk, Proc. Natl. Acad. Sci. U. S. A, 2015, 112, E7065–E7072. DOI: 10.1073/pnas.1507910112.
65. Synthesis of mixed α/β2,2-peptides by site-selective ring-opening of cyclic quaternary sulfamidates. N. Mazo, I. García-González, C. D. Navo, F. Corzana, G. Jiménez-Osés, A. Avenoza, J. H. Busto, J. M. Peregrina, Org. Lett., 2015, 17, 5804−5807. DOI: 10.1021/acs.orglett.5b02927.
64. A thorough experimental study of CH/π interactions in water: quantitative structure–stability relationships for carbohydrate/aromatic complexes. E. Jiménez-Moreno, G. Jiménez-Osés, A. M. Gómez, A. G. Santana, F. Corzana, A. Bastida, J. Jiménez-Barbero, J. L. Asensio, Chem. Sci. 2015, 6, 6076–6085. DOI: 10.1039/C5SC02108A.
63. Pyridine N-Oxide vs. Pyridine Substrates for Rh(III)-Catalyzed Oxidative C–H Bond Functionalization. S. R. Neufeldt, G. Jiménez-Osés, J. R. Huckins, O. R. Thiel, K. N. Houk, J. Am. Chem. Soc. 2015, 137, 9843–9854. DOI: 10.1021/jacs.5b03535.
62. Evolution of a unified strategy for complex sesterterpenoids: progress toward astellatol and total synthesis of (-)-nitidasin. D. T. Hog, F. M. E. Huber, G. Jiménez-Osés,* P. Mayer, K. N. Houk, and D. Trauner, Chem. Eur. J. 2015, 21, 13646–13665. DOI: 10.1002/chem.201501423.
61. Enzymatic hydroxylation of an unactivated methylene C–H bond guided by molecular dynamics simulations. A. R. H. Narayan, G. Jiménez-Osés, P. Liu, S. Negretti, W. Zhao, M. M. Gilbert, R. O. Ramabhadran, Y.-F. Yang, L. R. Furan, Z. Li, L. M. Podust, J. Montgomery, K. N. Houk, D. H. Sherman. Nat. Chem. 2015, 7, 653–660. DOI: 10.1038/nchem.2285.
60. Molecular dynamics of the Diels-Alder reactions of tetrazines with alkenes, and N2 extrusions from adducts. L. Törk, G. Jiménez-Osés, C. Doubleday, F. Liu, K. N. Houk, J. Am. Chem. Soc. 2015, 137, 4749−4758. DOI: 10.1021/jacs.5b00014.
59. Enantioselective synthesis of dialkylated N-heterocycles by palladium-catalyzed allylic alkylation. Y. Numajiri, G. Jiménez-Osés, B. Wang, K. N. Houk, Brian M. Stoltz. Org. Lett. 2015, 17, 1082–1085. DOI: 10.1021/ol503425t.
58. Molecular dynamics explorations of active site structure in designed and evolved enzymes. S. Osuna, G. Jiménez-Osés, E. L. Noey, K. N. Houk, Acc. Chem. Res. 2015, 48, 1080−1089. DOI: 10.1021/ar500452q. Cover.
57. Thermodynamic evaluation of aromatic C-H/π interactions and rotational entropy in a molecular rotor. S. Pérez-Estrada, B. Rodriguez-Molina, L. Xiao, R. Santillan, G. Jiménez-Osés, K. N. Houk, M. A. Garcia-‐Garibay, J. Am. Chem. Soc., 2015, 137, 2175–2178. DOI: 10.1021/ja512053t.
56. Modulating weak interactions for molecular recognition: a dynamic combinatorial analysis for assessing the contribution of electrostatics to the stability of CH–π bonds in water. E. Jiménez-Moreno, A. M. Gómez, A. Bastida, F. Corzana, G. Jiménez-Osés, J. Jiménez-Barbero, J. L. Asensio, Angew. Chem. Int. Ed. 2015, 54, 4344–4348. DOI: 10.1002/anie.201411733.
55. N-type conjugated polymer-enabled selective dispersion of semiconducting carbon nanotubes for flexible CMOS-like circuits. H. Wang, Y. Li, G. Jiménez-Osés, P. Liu, Y. Fang, J. Zhang, Y.-C. Lai, S. Park, L. Chen, K. N. Houk, Z. Bao. Adv. Funct. Mater. 2015, 25, 1837–1844. DOI: 10.1002/adfm.201404126.
54. A twist on facial selectivity of hydride reductions of cyclic ketones: twist-boat conformers in cyclohexanone, piperidone, and tropinone reactions. S. R. Neufeldt, G. Jiménez-Osés,* D. L. Comins, K. N. Houk, J. Org. Chem., 2014, 79, 11609−11618. DOI: 10.1021/jo5022635.
53. Synthesis and conformational analysis of hybrid α/β-dipeptides incorporating S-glycosyl-β²,²-amino acids. I. García-González, L. Mata, F. Corzana, G. Jiménez-Osés, A. Avenoza, J. H. Busto, J. M. Peregrina. Chem. Eur. J. 2015, 21, 1156–1168. DOI: 10.1002/chem.201405318.
52. Cycloadditions of Cyclohexynes and Cyclopentyne. J. M. Medina, T. C. McMahon, G. Jiménez-Osés, K. N. Houk, N. K. Garg, J. Am. Chem. Soc., 2014, 136, 14706−14709. DOI: 10.1021/ja508635v.
51. Substrate control in stereoselective lanthionine biosynthesis. W. Tan, G. Jiménez-Osés, K. N. Houk, W. A. van der Donk, Nat. Chem., 2015, 7, 57–64. DOI: 10.1038/nchem.2113.
50. Long range distance measurements in proteins at room temperature using saturation recovery EPR spectroscopy. Z. Yang, G. Jiménez-Osés, C. J. López, K. N. Houk, W. Hubbell, J. Am. Chem. Soc., 2014, 136, 15356−15365. DOI: 10.1021/ja5083206.
49. Solvent effects on polymer sorting of carbon nanotubes with applications in printed electronics. H. Wang, B. Hsieh, G. Jiménez-Osés, P. Liu, C. J. Tassone, Y. Diao, T. Lei, K. N. Houk, Z. Bao. Small, 2015, 11, 126–133. DOI: 10.1002/smll.201401890.
48. Experimental and theoretical study of gold(III)-catalyzed hydration of alkynes. J. Cordón, G. Jiménez-Osés, J. M. López-de-Luzuriaga, M. Monge, M. E. Olmos, Organometallics, 2014, 33, 3823–3830. DOI: 10.1021/om500523r.
47. Influence of amino acid stereocenters on the formation of bicyclic N,O acetals. G. Jiménez-Osés,* C. Aydillo, J. H. Busto, M. M. Zurbano, J. M. Peregrina, A. Avenoza. J. Org. Chem., 2014, 79, 2556–2563. DOI: 10.1021/jo500015c.
46. The role of distant mutations and allosteric regulation on LovD active site dynamics. G. Jiménez-Osés, S. Osuna, X. Gao,M. R. Sawaya, L. Gilson, S. J. Collier, G. Huisman, T. O. Yeates, Y. Tang, K. N. Houk, Nat. Chem. Biol. 2014, 10, 431–436. DOI: 10.1038/nchembio.1503. Cover.
45. Competition Between Concerted and Stepwise Dynamics in the Triplet Di-π-Methane Rearrangement. G. Jimenéz-Osés, P. Liu, R. A. Matute, K. N. Houk, Angew. Chem. Int. Ed., 2014, 126, 8808–8811. DOI: 10.1002/anie.201310237.
44. High-yield sorting of small-diameter carbon nanotubes for solar cells and transistors. H. Wang, G. I. Koleilat, P. Liu, G. Jiménez-Osés, Y.-C. Lai, M. Vosgueritchian, Y. Fang, S. Park, K. N. Houk, Z. Bao, ACS Nano, 2014, 8, 2609–2617. DOI: 10.1021/nn406256y .
43. Confined organization of fullerene units along high polymer chains. L. Fang, P. Liu, B. R. Sveinbjornsson, S. Atahan-Evrenk, K. Vandewal, S. Osuna, G. Jiménez-Osés, S. Shrestha, G. Giri, P. Wei, A. Salleo, A. Aspuru-Guzik, R. H. Grubbs, K. N. Houk, Z. Bao, J. Mater. Chem. C, 2013, 1, 5747–5755. DOI: 10.1039/C3TC31158A.
42. An iterative, bimodular nonribosomal peptide synthetase that converts anthranilate and tryptophan into tetracyclic asperlicins. X. Gao, W. Jiang, G. Jiménez-Osés, M. S. Choi, K. N. Houk, Y. Tang, C. T. Walsh, Chem. Biol. 2013, 20, 870–878. DOI: 10.1016/j.chembiol.2013.04.019.
41. Stereochemical outcome of copper-catalyzed C–H insertion reactions. An experimental and theoretical study. G. Jiménez-Osés,* E. Vispe, M. Roldán, S. Rodríguez-Rodríguez, P. López-Ram-de-Viu, L. Salvatella, J. A. Mayoral, J.M. Fraile, J. Org. Chem., 2013, 78, 5851–5857 DOI: 10.1021/jo400415b.
40. Mechanistic study of a Ru-xantphos catalyst for tandem alcohol dehydrogenation and reductive aryl-ether cleavage. S. C. Chmely, S. Kim, P. N. Ciesielski, G. Jiménez-Osés, R. S. Paton, G. T. Beckham, ACS Catal., 2013, 3, 963–974. DOI: 10.1021/cs400110r.
39. Mechanism of alkoxy groups substitution by Grignard reagents on aromatic rings and experimental verification of theoretical predictions of anomalous reactions. G. Jiménez-Osés, A. J. Brockway, J. T. Shaw, K. N. Houk. J. Am. Chem. Soc. 2013, 135, 6633–6642. DOI: 10.1021/ja4015937.
38. A dynamic combinatorial approach for the analysis of weak carbohydrate/aromatic complexes: dissecting facial selectivity in CH/π stacking interactions. A. G. Santana, E. Jiménez-Moreno, A. M. Gómez, F. Corzana, C. González, G. Jiménez-Oses, J. Jiménez-Barbero, J. Luis Asensio. J. Am. Chem. Soc. 2013, 135, 3347–3350. DOI: 10.1021/ja3120218.
37. Scalable and selective dispersion of semiconducting arc-discharged carbon nanotubes by dithiafulvalene/thiophene copolymers for thin film transistors. H. Wang, J. Mei, P. Liu, K. Schmidt, G. Jiménez-Oses S. Osuna, L. Fang, C. J. Tassone, A. P. Zoombelt, A. N. Sokolov, K. N. Houk, M. F. Toney, Z. Bao. ACS Nano, 2013, 7, 2659–2668. DOI: 10.1021/nn4000435.
36. Forming tertiary organolithiums and organocuprates from nitrile precursors and their bimolecular reactions with carbon electrophiles to form quaternary carbon stereocenters. M. J. Schnermann, N. L. Untiedt, G. Jiménez–Osés, K. N. Houk, L. E. Overman. Angew. Chem. Int. Ed. 2012, 51, 9581–9586. DOI: 10.1002/anie.201205001.
35. Evaluation of several catalytic systems for the epoxidation of methyl oleate using H2O2 as oxidant. M. de Torres, G. Jiménez-Osés, J. A. Mayoral, E. Pires, R. M. Blanco, O. Fernández. Catal. Today 2012, 195, 76–82. DOI: 10.1016/j.cattod.2012.05.005.
34. A highly efficient, green and recoverable catalytic system for the epoxidation of fatty esters and biodiesel with H2O2. M. de Torres, I. W.C.E. Arends, J. A. Mayoral, E. Pires, G. Jiménez-Osés*. Appl. Catal., A, 2012, 425-426, 91–96. DOI: 10.1016/j.apcata.2012.03.009.
33. A biomimetic approach to lanthionines. A. Avenoza, J. M. Peregrina, J. H. Busto, M. M. Zurbano, C. Aydillo, G. Jiménez-Osés. Org. Lett. 2012, 14, 334–337. DOI: 10.1021/ol203068s.
32. Glycerol ketals: synthesis and profits in biodiesel blends. Elísabet Pires, M. De Torres, G. Jiménez-Osés, J. A. Mayoral, M. De Los Santos. Fuel, 2012, 94, 614–616. DOI: 10.1016/j.fuel.2011.11.062.
31. A domino Michael/Dieckmann process as an entry to α-(hydroxymethyl)glutamic acid. C. Aydillo, G. Jiménez-Osés,* A. Avenoza, J. H. Busto, J. M. Peregrina, M. M. Zurbano. J. Org. Chem. 2011, 76, 6990–6996. DOI: 10.1021/jo201067n.
30. Stereocontrolled ring-opening of a hindered sulfamidate with nitrogen-containing aromatic heterocycles: synthesis of chiral quaternary imidazole derivatives. L. Mata, G. Jiménez-Osés, A. Avenoza, J. H. Busto, J. M. Peregrina. J. Org. Chem. 2011, 76, 4034–4042. DOI: 10.1021/jo200479y.
29. Accurate calculation of chemical shifts in highly dynamic H2@C60 through an integrated Quantum Mechanics/Molecular Dynamics scheme. G. Jiménez-Osés,* J. I. García, F. Corzana, J. Elguero. Org. Lett. 2011, 13, 2528–2531. DOI: 10.1021/ol2004116.
28. Fatty acid derivatives and their use as CFPP additives in biodiesel. M. De Torres, G. Jiménez-Osés, J. A. Mayoral, E. Pires. Biores. Tech. 2011, 102, 2590–2594. DOI: 10.1016/j.biortech.2010.10.004.
27. Can enantioselectivity be computed in enthalpic barrierless reactions? The case of Cu(I)-catalyzed cyclopropanation of alkenes. J. I. García, G. Jiménez-Osés,* J. A. Mayoral. Chem. Eur. J. 2011, 16, 529–539. DOI: 10.1002/chem.201001262.
26. Role of aromatic rings in the molecular recognition of aminoglycoside antibiotics: implications for drug design. T. Vacas, F. Corzana, G. Jiménez-Osés, C. González, A. M. Gómez, A. Bastida, J. Revuelta, J. L. Asensio. J. Am. Chem. Soc. 2010, 132, 12074–12090. DOI: 10.1021/ja1046439.
25. Stereoselectivity induced by support confinement effects. Aza-pyridinoxazolines: a new family of C1-symmetric ligands for copper-catalyzed enantioselective cyclopropanation reactions. J. I. García, G. Jiménez-Osés,* B. López-Sánchez, J. A. Mayoral, A. Vélez. Dalton Trans., 2010, 39, 2098–2107. DOI: 10.1039/b919274c.
24. Steric Control of α- and β-alkylation of azulenone intermediates in a guanacastepene A synthesis. H. Wang, K. Michalak, M. Michalak, G. Jiménez-Osés, J. Wicha, K. N. Houk. J. Org. Chem., 2010, 75, 762–766. DOI: 10.1021/jo902283a.
23. A novel multistep mechanism for the stereocontrolled ring opening of hindered sulfamidates: mild, green, and efficient reactivity with alcohols. G. Jiménez-Osés, A. Avenoza, J. H. Busto, J. M. Peregrina. Chem. Eur. J., 2009, 15, 9810–9823. DOI: 10.1002/chem.200900710.
22. Insights into the geometrical features underlying β-O-GlcNAc glycosylation: water pockets drastically modulate the interactions between the carbohydrate and the peptide backbone. A. Fernández-Tejada, F. Corzana, J. H. Busto, G. Jiménez-Osés, J. Jiménez-Barbero, A. Avenoza, J. M. Peregrina. Chem. Eur. J., 2009, 15, 7297–7301. DOI: 10.1002/chem.200901204.
21. The unusual reactivity of benzene and monosubstituted benzenes towards tetracyanoethylene oxide: a theoretical study. G. Jiménez-Osés,* J. Elguero, J. I. García. New J. Chem., 2009, 33, 471–478. DOI: 10.1039/b810220a.
20. α-Alkylation versus retro-O-Michael/γ-alkylation of bicyclic N,O-acetals: an entry to α-methylthreonine. C. Aydillo, A. Avenoza, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina, M. M. Zurbano. Tetrahedron, 2008, 19, 2829–2834. DOI: 10.1016/j.tetasy.2008.11.031.
19. Non-natural amino acids as modulating agents of the conformational space of model glycopeptides. A. Fernández-Tejada, F. Corzana, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina, A. Avenoza. Chem. Eur. J., 2008, 14, 7042–7058. DOI: 10.1002/chem.200800460.
18. Mechanistic insights on the site selectivity in successive 1,3-dipolar cycloadditions to meso-tetraarylporphyrins. G. Jiménez-Osés,* J. I. García, A. M.G. Silva, A. R.N. Santos, A. C. Tomé, M. G. P.M.S. Neves, J. A.S. Cavaleiro. Tetrahedron, 2008, 64, 7937–7943. DOI: 10.1016/j.tet.2008.06.018.
17. Surface confinement effects on enantioselective cyclopropanation. Reactions with supported chiral 8-oxazolinylquinoline−copper complexes. J. M. Fraile, J. I. García, G. Jiménez-Osés, J. A. Mayoral, M. Roldán. Organometallics, 2008, 27, 2246–2251. DOI: 10.1021/om7010408.
16. Highly chemoselective reactions of hindered sulfamidates with oxygen nucleophiles. G. Jiménez-Osés, A. Avenoza, J. H. Busto, J. M. Peregrina. Tetrahedron: Asymm., 2008, 19, 443–449. DOI: 10.1016/j.tetasy.2008.01.030.
15. Serine versus threonine glycosylation. The methyl group causes a drastic alteration on the carbohydrate orientation and on the surrounding water shell. F. Corzana, J. H. Busto, G. Jiménez-Osés, M. García de Luis, J. L. Asensio, J. Jiménez-Barbero, J. M. Peregrina, A. Avenoza. J. Am. Chem. Soc., 2007, 129, 9458–9467. DOI: 10.1021/ja072181b.
14. The role of the countercation in diastereoselective alkylations of pyramidalized bicyclic serine enolates. An easy approach to α-benzylserine. G. Jiménez-Osés, C. Aydillo, J. H. Busto, M. M. Zurbano, J. M. Peregrina, A. Avenoza. J. Org. Chem., 2007, 72, 5399–5402. DOI: 10.1021/jo070656b.
13. Theoretical evidence for pyramidalized bicyclic serine enolates in highly diastereoselective alkylations. C. Aydillo, G. Jiménez-Osés, J. H. Busto, J. M. Peregrina, M. M. Zurbano, A. Avenoza. Chem. Eur. J., 2007, 13, 4840–4848. DOI: 10.1002/chem.200601746.
12. Mechanistic study of the ring-size modulation in Michael-Dieckmann type reactions of 2-acylaminoacrylates with ketene diethyl acetal. A. Avenoza, J. H. Busto, N. Canal, J. I. García, G. Jiménez-Osés, J. M. Peregrina, M, Pérez-Fernández. New J. Chem., 2007, 31, 224–229. DOI: 10.1039/b615220a.
11. QM/MM modeling of enantioselective pybox-ruthenium and box-copper-catalyzed cyclopropanation reactions. Scope, performance and applications to ligand design. J. I. García, G. Jiménez-Osés, V. Martínez-Merino, J. A. Mayoral, E. Pires, I. Villalba. Chem. Eur. J., 2007, 13, 4064–4073. DOI: 10.1002/chem.200601358.
10. New insights into α-GalNAc-Ser motif: influence of hydrogen bonding versus solvent interactions on the preferred conformation. F. Corzana, J. H. Busto, G. Jiménez-Osés, J. L. Asensio, J. Jiménez-Barbero, J. M. Peregrina, A. Avenoza. J. Am. Chem. Soc., 2006, 128, 14640–14648. DOI: 10.1021/ja064539u.
9. Stereoselective synthesis of ortogonally protected α-methylnorlantionine. A. Avenoza, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina. Org. Lett., 2006, 8, 2855–2858. DOI: 10.1021/ol060993r.
8. Conformational analysis of 2-substituted cyclobutane-α-amino acid derivatives. A synergistic experimental and computational study. G. Jiménez-Osés, F. Corzana, J. H. Busto, M, Pérez-Fernández, J. M. Peregrina, A. Avenoza. J. Org. Chem., 2006, 71, 1869–1878. DOI: 10.1021/jo0521955.
7. SN2 reaction of sulfur nucleophiles with hindered sulfamidates: enantioselective synthesis of α-methylisocysteine. A. Avenoza, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina. J. Org. Chem., 2006, 71, 1692–1695. DOI: 10.1021/jo051632c.
6. Enantioselective synthesis of S-linked glycosyl-β2,2-amino acid derivatives by SN2 reaction on hindered sulfamidates. A. Avenoza, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina. Synthesis, 2006, 641–644. DOI: 10.1055/s-2006-926286.
5. A convenient enantioselective synthesis of (S)-α-trifluoromethylisoserine. A. Avenoza, J. H. Busto, G. Jiménez-Osés, J. M. Peregrina. J. Org. Chem., 2005, 70, 5721–5724. DOI: 10.1021/jo0505371.
4. SN2 vs. E2 on quaternary centres: an easy approach to chiral β2,2-amino acids from cyclic sulfamidates. A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, J. M. Peregrina. Phosphorus, Sulfur Silicon Relat. Elem., 2005, 180, 1459–1460. DOI: 10.1080/10426500590913078.
3. SN2 vs. E2 on quaternary centres: an application to the synthesis of enantiopure β2,2-amino acids. A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, J. M. Peregrina. Chem. Commun., 2004, 980–981. DOI: 10.1039/b400282b.
2. New syntheses of enantiopure 2-methyl isoserines. A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, M. París, J. M. Peregrina, D. Sucunza, M. M. Zurbano. Tetrahedron: Asymm., 2004, 15, 131–137. DOI: 10.1016/j.tetasy.2003.09.051.
1. Conformational analysis of N-Boc-N,O-isopropylidene-α-serinals. A combined DFT and NMR study. A. Avenoza, J. H. Busto, F. Corzana, G. Jiménez-Osés, J. M. Peregrina. Tetrahedron, 2003, 59, 5713–5718. DOI: 10.1016/S0040-4020(03)00852-4.
