Search Results - "Jaraiz, Martín"

Mimicking Halimane Synthases: Monitoring a Cascade of Cyclizations and Rearrangements from Epoxypolyprenes by Quilez del Moral, José F, Domingo, Victoriano, Pérez, Álvaro, Martínez Andrade, Kevin A, Enríquez, Lourdes, Jaraiz, Martín, López-Pérez, José Luis, Barrero, Alejandro F

“…We have developed and rationalized a biomimetic transformation mimicking halimane synthases based on a Lewis acid-catalyzed cascade of cyclizations and…”
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Cover Picture: Ti-Mediated Efficient Reductive Dehalogenation of Carbon-Halogen Bonds (Asian J. Org. Chem. 8/2016) by González-Delgado, José A., Prieto, Consuelo, Enríquez, Lourdes, Jaraíz, Martín, López-Pérez, José L., Barrero, Alejandro F., Arteaga, Jesús F.

“…A mild and efficient method for the reductive dehalogenation of carbon–halogen bonds in both activated (allylic or benzylic) and non‐activated halides with…”
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Rotational Spectrum, Tunneling Motions, and Intramolecular Potential Barriers in Benzyl Mercaptan by Saragi, Rizalina Tama, Juanes, Marcos, Caminati, Walther, Lesarri, Alberto, Enríquez, Lourdes, Jaraíz, Martín

“…The rotational spectrum of benzyl mercaptan (parent and four isotopologues) has been assigned in a supersonic jet expansion using chirped-pulse Fourier…”
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Molecular Rotation Spectrum of Tetracyclic Quinolizidines: Observation of trans -Matrine and the Elusive cis -Matrine by Juanes, Marcos, Saragi, Rizalina Tama, Enríquez, Lourdes, Jaraíz, Martín, Lesarri, Alberto

“…We characterized the bis-quinolizidine tetracyclic alkaloid (5 , 6 , 7 , 11 )-matrine in a supersonic jet expansion, using chirped-pulsed broadband microwave…”
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Hydrogen Bonding in the Dimer and Monohydrate of 2-Adamantanol: A Test Case for Dispersion-Corrected Density Functional Methods by Juanes, Marcos, Saragi, Rizalina Tama, Pérez, Cristóbal, Evangelisti, Luca, Enríquez, Lourdes, Jaraíz, Martín, Lesarri, Alberto

“…Weakly-bound intermolecular clusters constitute reductionist physical models for non-covalent interactions. Here we report the observation of the monomer, the…”
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Torsional chirality and molecular recognition: the homo and heterochiral dimers of thenyl and furfuryl alcohol by Juanes, Marcos, Saragi, Rizalina Tama, Pérez, Cristóbal, Enríquez, Lourdes, Jaraíz, Martín, Lesarri, Alberto

“…Furfuryl alcohol and thenyl alcohol contain a labile torsional chiral center, producing transiently chiral enantiomers interconverting in the nanosecond…”
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Kinetic Monte Carlo simulation for semiconductor processing: A review by Martin-Bragado, Ignacio, Borges, Ricardo, Balbuena, Juan Pablo, Jaraiz, Martin

“…The Kinetic Monte Carlo (KMC) algorithm is a particularly apt technique to simulate the complex processing of semiconductor devices. In this review, some of…”
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An Efficient Microkinetic Modeling Protocol: Start with Only the Dominant Mechanisms, Adjust All Parameters, and Build the Complete Model Incrementally by Jaraíz, Martín, Rubio, José E, Enríquez, Lourdes, Pinacho, Ruth, López-Pérez, José L, Lesarri, Alberto

“…In a recent article (ACS Catal. 2018, 8, 11119–11133), a comprehensive catalytic mechanism is proposed to explain the effects of residual water on the…”
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Sulfur Hydrogen Bonding in Isolated Monohydrates: Furfuryl Mercaptan versus Furfuryl Alcohol by Juanes, Marcos, Lesarri, Alberto, Pinacho, Ruth, Charro, Elena, Rubio, José E., Enríquez, Lourdes, Jaraíz, Martín

“…The hydrogen bonds involving sulfur in the furfuryl mercaptan monohydrate are compared with the interactions originating from the hydroxyl group in furfuryl…”
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Rational selection of co-catalysts for the deaminative hydrogenation of amides by Artús Suàrez, Lluís, Jayarathne, Upul, Balcells, David, Bernskoetter, Wesley H, Hazari, Nilay, Jaraiz, Martín, Nova, Ainara

“…The catalytic hydrogenation of amides is an atom economical method to synthesize amines. Previously, it was serendipitously discovered that the combination of…”
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A Concise Route for the Synthesis of Tetracyclic Meroterpenoids: (±)-Aureol Preparation and Mechanistic Interpretation by Rosales Martínez, Antonio, Enríquez, Lourdes, Jaraíz, Martín, Pozo Morales, Laura, Rodríguez-García, Ignacio, Díaz Ojeda, Emilio

“…A new concise general methodology for the synthesis of different tetracyclic meroterpenoids is reported: (±)-aureol ( ), the key intermediate of this general…”
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Understanding the color change of the solutions of Cp2TiCl upon addition of water by Martínez, Antonio Rosales, Enríquez, Lourdes, Jaraíz, Martín, Thiessen, Tanner, Sidhu, Jaspreet, McIndoe, J. Scott, Rodríguez‐García, Ignacio

“…Reduction of red bis (cyclopentadienyl)titanium (IV) dichloride (Cp2TiCl2) with manganese dust in dry THF produces a green solution that turns deep blue upon…”
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A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene by Jaraíz, Martín, Enríquez, Lourdes, Pinacho, Ruth, Rubio, José E, Lesarri, Alberto, López-Pérez, José L

“…A novel DFT-based Reaction Kinetics (DFT-RK) simulation approach, employed in combination with real-time data from reaction monitoring instrumentation (like…”
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Homocoupling versus reduction of radicals: an experimental and theoretical study of Ti(III)-mediated deoxygenation of activated alcohols by Prieto, Consuelo, González Delgado, José A, Arteaga, Jesús F, Jaraíz, Martín, López-Pérez, José L, Barrero, Alejandro F

“…A detailed experimental and theoretical study corroborates that the reductive deoxygenation of activated (allylic or benzylic) alcohols with excess Ti(III)…”
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15-Hydroxygermacranolides as Sources of Structural Diversity: Synthesis of Sesquiterpene Lactones by Cyclization and Rearrangement Reactions. Experimental and DFT Study by Álvarez-Calero, José María, Ruiz, Enrique, López-Pérez, José Luis, Jaraíz, Martín, Rubio, José E, Jorge, Zacarías D, Suárez, Margarita, Massanet, Guillermo M

“…A study on the electrophile-induced rearrangement of two 15-hydroxygermacranolides, salonitenolide and artemisiifolin, was carried out. These compounds…”
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Structural Diversity from the Transannular Cyclizations of Natural Germacrone and Epoxy Derivatives: A Theoretical-Experimental Study by Pérez Morales, M. Carmen, Catalán, Julieta V., Domingo, Victoriano, Jaraíz, Martín, Herrador, M. Mar, Quílez del Moral, José F., López-Pérez, José-Luis, Barrero, Alejandro F.

“…Treatment of germacrone (1) with different electrophiles, and of its epoxy derivatives germacrone‐4,5‐epoxide (2), germacrone‐1,10‐epoxide (3) and…”
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Reduction of furfural by Mn/2,4,6‐Coll.HCl/H2O: Mechanistic aspects of this reaction by Rosales Martínez, Antonio, Castro Rodríguez, María, Jaraíz, Martín, Enríquez, Lourdes, Díaz Ojeda, Emilio, Rodríguez Maecker, Roman Nicolay, Cordobés Carmona, Felipe, Pozo Morales, Laura

“…A simple, mild and safe reduction of furfural to furfuryl alcohol by the Mn/2,4,6‐Coll.HCl/H2O system is described. An experimental study on the role played by…”
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Ti-Mediated Efficient Reductive Dehalogenation of Carbon-Halogen Bonds by González-Delgado, José A., Prieto, Consuelo, Enríquez, Lourdes, Jaraíz, Martín, López-Pérez, José L., Barrero, Alejandro F., Arteaga, Jesús F.

“…A mild and efficient methodology for the reductive dehalogenation of carbon–halogen bonds in both activated (allylic or benzylic) and non‐activated halides…”
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Rational selection of co-catalysts for the deaminative hydrogenation of amides† †Electronic supplementary information (ESI) available: Experimental details (including procedure for co-catalyst screening and synthesis of (PhPNHP)RuH(CO)(HCONPh)) and computational details (including information on the microkinetic models with DMF and 4-formylmorpholine, results obtained with diphenylformanilide, and optimized coordinates). CCDC 1943231. For ESI and crystallographic data in CIF or other electronic by Artús Suàrez, Lluís, Jayarathne, Upul, Balcells, David, Bernskoetter, Wesley H., Hazari, Nilay, Jaraiz, Martín, Nova, Ainara

“…Theory and experiments were used to rationally design co-catalysts for the deaminative hydrogenation of amides. TBD was found to be the optimal catalyst,…”
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Understanding the color change of the solutions of Cp 2 TiCl upon addition of water by Martínez, Antonio Rosales, Enríquez, Lourdes, Jaraíz, Martín, Thiessen, Tanner, Sidhu, Jaspreet, McIndoe, J. Scott, Rodríguez‐García, Ignacio

“…Reduction of red bis (cyclopentadienyl)titanium (IV) dichloride (Cp 2 TiCl 2 ) with manganese dust in dry THF produces a green solution that turns deep blue…”
Get full text