BackExaminar Artículos, Comunicaciones, Libros por departamento (cas.) "Química física"
Now showing items 1-20 of 290
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4,4′-Dicyano- versus 4,4′-Difluoro-BODIPYs in Chemoselective Postfunctionalization Reactions: Synthetic Advantages and Applications
; ; ; ; Bañuelos Prieto, Jorge
; Rebollar, Esther ; ; (American Chemical Society, 2023-04)
The presence of F or CN substituents at boron in BODIPYs causes a dramatic effect on their reactivity, which allows their chemoselective postfunctionalization. Thus, whereas 1,3,5,7-tetramethyl B(CN)2-BODIPYs displayed ... -
A combination of proton spin diffusion NMR and molecular simulations to probe supramolecular assemblies of organic molecules in nanoporous materials
Dib, Eddy; Bernardo Maestro, Beatriz; López Arbeloa, Fernando; Pérez Pariente, Joaquín; Gómez Hortigüela, Luis (Royal Society of Chemistry, 2022-03)
[EN] In this work we show the use of high-resolution H-1 MAS NMR to distinguish between two kinds of aggregation states of (1R,2S)-ephedrine, a chiral organic structure directing agent, occluded within AFI-type microporous ... -
A Competition between Relative Stability and Binding Energy in Caffeine Phenyl-Glucose Aggregates: Implications in Biological Mechanisms
; ; ; ; ; ; ; Fernández González, José Andrés (MDPI, 2023-02-23)
Hydrogen bonds and stacking interactions are pivotal in biological mechanisms, although their proper characterisation within a molecular complex remains a difficult task. We used quantum mechanical calculations to characterise ... -
A comprehensive review of C-S-H empirical and computational models, their applications, and practical aspects
Duque Redondo, Eduardo; ; Manzano Moro, Hegoi (Elsevier, 2022-06)
[EN] The C-S-H gel is an elusive material. Its variable composition and disordered nature complicate a complete characterization of its atomic structure, and the elaboration of models is key to understanding it. This work ... -
A Computational-Experimental Approach to Unravel the Excited State Landscape in Heavy-Atom Free BODIPY-Related Dyes
Rebollar, Esther; Bañuelos Prieto, Jorge ; ; Eng, Julien ; Penfold, Thomas ; (MDPI, 2022)
We performed a time-gated laser-spectroscopy study in a set of heavy-atom free single BODIPY fluorophores, supported by accurate, excited-state computational simulations of the key low-lying excited states in these ... -
A concise route to water-soluble 2,6-disubstituted BODIPY-carbohydrate fluorophores by direct Ferrier-type C‑Glycosylation
; ; ; Bañuelos Prieto, Jorge; ; (American Chemical Society, 2021-06-22)
[EN] Novel, linker-free, BODIPY-carbohydrate derivatives containing sugar residues at positions C2 and C6 are efficiently obtained by, hitherto unreported, Ferrier-type C-glycosylation of 8- aryl-1,3,5,7-tetramethyl ... -
A Concise Synthesis of a BODIPY-Labeled Tetrasaccharide Related to the Antitumor PI-88
; ; ; ; Bañuelos Prieto, Jorge; ; (MDPI, 2021-05-14)
A convergent synthetic route to a tetrasaccharide related to PI-88, which allows the incorporation of a fluorescent BODIPY-label at the reducing-end, has been developed. The strategy, which features the use of 1,2-methyl ... -
A continued fraction based approach for the Two-photon Quantum Rabi Model
; ; ; Solano Villanueva, Enrique Leónidas; Egusquiza Egusquiza, Íñigo Luis (Nature Publishing, 2019-03-11)
We study the Two Photon Quantum Rabi Model by way of its spectral functions and survival probabilities. This approach allows numerical precision with large truncation numbers, and thus exploration of the spectral collapse. ... -
A Drastic Shift in Lipid Adducts in Colon Cancer Detected by MALDI-IMS Exposes Alterations in Specific K+ Channels
; ; ; Fernández Regueira, Roberto Antonio; ; ; ; ; Fernández González, José Andrés ; (MDPI, 2021-03-17)
Even though colorectal cancer (CRC) is one of the most preventable cancers, it is one of the deadliest, and recent data show that the incidence in people <50 years has unexpectedly increased. While new techniques for CRC ... -
A General Modular Approach for the Solubility Tagging of BODIPY Dyes
; ; ; ; Martínez Martínez, Virginia; Bañuelos Prieto, Jorge ; ; ; (Elsevier, 2019-05-09)
We describe a general and practical strategy for the direct one-step incorporation of a tunable solubility module at the boron atom of F-BODIPY dyes. The tethering reaction uses easy-to-handle reagents, has broad functional ... -
A journey across dopamine Metabolism: A rotational study of DOPAC
(Elsevier, 2023-04)DOPAC, a relevant scaffold in dopamine metabolism, was probed in the gas phase and interrogated by high-resolution rotational spectroscopy. Herein, three distinct conformers were isolated in a supersonic jet and identified ... -
A Malonyl-Based Scaffold for Conjugatable Multivalent Carbohydrate-BODIPY Presentations
; ; Bañuelos Prieto, Jorge; ; (MDPI, 2019-06-01)
A concise synthetic route from methylmalonate to a tetravalent aliphatic scaffold has been developed. The ensuing tetra-tethered derivative is equipped with two hydroxyl groups, as well as orthogonal alkene and alkyne ... -
A neural network assisted 171Yb+ quantum magnetometer
(Nature, 2022-12)A versatile magnetometer must deliver a readable response when exposed to target fields in a wide range of parameters. In this work, we experimentally demonstrate that the combination of(171)Yb(+) atomic sensors with ... -
A Palette of Efficient and Stable Far-Red and NIR Dye Lasers
; ; Bañuelos Prieto, Jorge; ; ; ; (MDPI, 2020-09-07)
The disposal of long-wavelength-emitting sources is of paramount relevance in technology and biophotonics due to the low interference with the surroundings that these kinds of far-red and near-infrared radiations hold. As ... -
A quantitative witness for Greenberger-Horne-Zeilinger entanglement
; Siewert, Jens (Nature Publishing Group, 2012-12)
Along with the vast progress in experimental quantum technologies there is an increasing demand for the quantification of entanglement between three or more quantum systems. Theory still does not provide adequate tools for ... -
A Review on Sustainable Inks for Printed Electronics: Materials for Conductive, Dielectric and Piezoelectric Sustainable Inks
; ; ; ; ; ; Vilas Vilela, José Luis (MDPI, 2023-05-24)
In the last decades, the demand for electronics and, therefore, electronic waste, has increased. To reduce this electronic waste and the impact of this sector on the environment, it is necessary to develop biodegradable ... -
A UHPLC-Mass Spectrometry View of Human Melanocytic Cells Uncovers Potential Lipid Biomarkers of Melanoma
; ; ; ; ; Asumendi Mallea, Aintzane; ; Fernández González, José Andrés ; Boyano López, María Dolores ; (MDPI, 2021-10-08)
Melanoma is the deadliest form of skin cancer due to its ability to colonize distant sites and initiate metastasis. Although these processes largely depend on the lipid-based cell membrane scaffold, our understanding of ... -
A versatile synthetic approach to design tailor-made push-pull chromophores with intriguing and tunable photophysical signatures
; ; Bañuelos Prieto, Jorge; ; ; López Arbeloa, Iñigo María ; (Elsevier, 2017-08-12)
Novel modified Biellmann BODIPYs were prepared using a C-H arylation reaction with in-situ formed aryldiazonium salts. The post-functionalization of the methylthio group of these derivatives was demonstrated in SNAr and ... -
Access to 2,6-Dipropargylated BODIPYs as "Clickable" Congeners of Pyrromethene-567 Dye: Photostability and Synthetic Versatility
; ; ; Bañuelos Prieto, Jorge; ; (American Chemical Society, 2021-09-03)
Hitherto unreported 2,6-dipropargyl-1,3,5,7-tetramethyl BODIPYs can be efficiently prepared by a Nicholas reaction/decomplexation protocol from 1,3,5,7-tetramethyl BODIPYs. The title compounds, which improve the BODIPY ... -
Acetoxymethyl-BODIPY dyes: a universal platform for the fluorescent labeling of nucleophiles
; ; ; ; ; ; Martínez Martínez, Virginia; ; (Royal Society of Chemistry, 2022)
Current methods for the preparation of functional small-molecule fluorophores generally require labor-intensive, multi-step synthetic routes for all the major chromophoric groups. In spite of recent significant contributions ...