BackExaminar por departamento (eus.) "Kimika fisikoa"
Now showing items 1-20 of 228
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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 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
; ; Oliden Sánchez, Ainhoa; 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
; ; ; Avellanal Zaballa, Edurne; 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 Malonyl-Based Scaffold for Conjugatable Multivalent Carbohydrate-BODIPY Presentations
Uriel, Clara; Sola Llano, Rebeca; Bañuelos Prieto, Jorge; Gómez López, Ana María; López Pérez, Cristóbal (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 Palette of Efficient and Stable Far-Red and NIR Dye Lasers
Avellanal Zaballa, Edurne; Gartzia Rivero, Leire ; 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 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 ; Ochoa Olascoaga, Begoña (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 ... -
Access to 2,6-Dipropargylated BODIPYs as "Clickable" Congeners of Pyrromethene-567 Dye: Photostability and Synthetic Versatility
Uriel, Clara; Gómez, Ana María; García Martínez de la Hidalga, Enrique; Bañuelos Prieto, Jorge; García Moreno, Inmaculada; López, José Cristóbal (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
; ; ; Prieto Montero, Ruth; Oliden Sánchez, Ainhoa ; ; 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 ... -
Advanced-Retarded Differential Equations in Quantum Photonic Systems
; ; ; ; Sanz Ruiz, Mikel; Lamata Manuel, Lucas ; ; Solano Villanueva, Enrique Leónidas (Nature Publishing Group, 2017-02-23)
We propose the realization of photonic circuits whose dynamics is governed by advanced-retarded differential equations. Beyond their mathematical interest, these photonic configurations enable the implementation of quantum ... -
Aggregation of biological building blocks: a theoretical and spectroscopic study
(2017-06-16)DNA and proteins are involved in biological processes which make possible life. On the one hand, the four DNA bases constitute the alphabet of life. Their normal appearance includes stacked Watson-Crick pairs in order to ... -
Aging Effect of Catechol Redox Polymer Nanoparticles for Hybrid Supercapacitors
; ; ; ; ; ; ; Mecerreyes Molero, David (Wiley, 2022-09)
[EN] Redox-polymer nanoparticles are a promising solution to avoid the detrimental dissolution of organic electrode materials while showing discrete redox processes. In this work, catechol-based redox-active polymer ... -
An Experimental Investigation of Ultraweak Photon Emission from Adult Murine Neural Stem Cells
(Nature, 2020-01-16)Neurons like other living cells may have ultraweak photon emission (UPE) during neuronal activity. This study is aimed to evaluate UPE from neural stem cells (NSC) during their serial passaging and differentiation. We also ... -
An Innovative Approach for the Generation of Species of the Interstellar Medium
(Wiley, 2021-11-08)[EN]The large amount of unstable species in the realm of interstellar chemistry drives an urgent need to develop efficient methods for the in situ generations of molecules that enable their spectroscopic characterizations. ... -
Analog simulator of integro-differential equations with classical memristors
Alvarado Barrios, Gabriel Darío; Retamal, Juan Carlos; Solano Villanueva, Enrique Leónidas; Sanz Ruiz, Mikel (Nature Publishing, 2019-09-10)
An analog computer makes use of continuously changeable quantities of a system, such as its electrical, mechanical, or hydraulic properties, to solve a given problem. While these devices are usually computationally more ... -
Analysis of Local and Global Aromaticity in Si3C5 and Si4C8 Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon
(MDPI, 2021-09-25)The minimum energy structures of the Si3C5 and Si4C8 clusters are planar and contain planar tetracoordinate carbons (ptCs). These species have been classified, qualitatively, as global (π) and local (σ) aromatics according ...