BackExaminar Artículos por departamento (eus.) "Kimika Organikoa eta Ez-Organikoa"
Now showing items 61-80 of 105
-
Microwave-assisted Palladium catalysed C-H acylation with aldehydes. Synthesis and diversification of 3-acylthiophenes
(Royal Society of Chemistry, 2021-12-22)The use of MW allows the efficient palladium(II)-catalysed C-3 acylation of thiophenes with aldehydes via C(sp2)-H activation for the synthesis of (cyclo)alkyl/aryl thienyl ketones (43 examples). Compared to standard thermal ... -
MLb-LDLr: A Machine Learning Model for Predicting the Pathogenicity of LDLr Missense Variants
(Elsevier, 2021-11)Untreated familial hypercholesterolemia (FH) leads to atherosclerosis and early cardiovascular disease. Mutations in the low-density lipoprotein receptor (LDLr) gene constitute the major cause of FH, and the high number ... -
Molecular Recognition of Glycan-Bearing Glycomacromolecules Presented at Membrane Surfaces by Lectins: An NMR View
; ; ; ; ; ; ; ; ; ; Ardá, Ana
; ; Jiménez Barbero, Jesús (American Chemical Society, 2023-05)
Lectin–glycan interactions are at the heart of a multitude of biological events. Glycans are usually presented in a multivalent manner on the cell surface as part of the so-called glycocalyx, where they interact with other ... -
Multifunctional Lanthanide-Based Metal-Organic Frameworks Derived from 3-Amino-4-hydroxybenzoate: Single-Molecule Magnet Behavior, Luminescent Properties for Thermometry, and CO2 Adsorptive Capacity
; ; ; ; Beobide Pacheco, Garikoitz; ; ; ; ; Seco Botana, José Manuel (American Chemical Society, 2022-08)
Herein, we describe and study a new family of isostructural multifunctional metal-organic frameworks (MOFs) with the formula {[Ln(5)L(6)(OH)(3)(DMF)(3)]center dot 5H(2)O} n (where (H2L) is 3-amino-4-hydroxybenzoic acid ... -
Nanostructured Manganese Dioxide for Hybrid Supercapacitor Electrodes
(MDPI, 2022-11-30)Hybrid supercapacitors, as emerging energy storage devices, have gained much attention in recent years due to their high energy density, fast charge/discharge and long cyclabilities. Among the wide range of systems covered ... -
New Glucosamine-Based TLR4 Agonists: Design, Synthesis, Mechanism of Action, and In Vivo Activity as Vaccine Adjuvants
; ; ; ; ; ; ; ; ; ; ; ; Jiménez Barbero, Jesús; ; ; (American Chemical Society, 2023-02)
We disclose here a panel of small-molecule TLR4 agonists (the FP20 series) whose structure is derived from previously developed TLR4 ligands (FP18 series). The new molecules have increased chemical stability and a shorter, ... -
OptiMo-LDLr: an integrated In silico model with enhanced predictive power for LDL receptor variants, unraveling hot spot pathogenic residues
(Wiley, 2024-04)Familial hypercholesterolemia (FH) is an inherited metabolic disease affecting cholesterol metabolism, with 90% of cases caused by mutations in the LDL receptor gene (LDLR), primarily missense mutations. This study aims ... -
Organocatalytic Enantioselective Vinylcyclopropane-Cyclopentene (VCP-CP) Rearrangement
; ; ; ; ; ; ; Carrillo Fernández, María Luisa; ; Vicario Hernando, José Luis (Wiley, 2023-05)
We have demonstrated that the catalytic and enantioselective vinylcyclopropane-cyclopentene rearrangement can be carried out on (vinylcyclopropyl)acetaldehydes through activation via enamine intermediates. The reaction ... -
Palladium-catalysed Heck-type alkenylation reactions in the synthesis of quinolines. Mechanistic insights and recent applications
(Royal Society of Chemistry, 2020-05-18)Quinoline and quinolone cores are present in a wide variety of pharmaceuticals, agrochemicals and materials, as well in ligands/catalysts in asymmetric synthesis. Transition-metal catalysed based approaches have played a ... -
Palladium-Catalyzed Domino Cycloisomerization/Double Condensation of Acetylenic Acids with Dinucleophiles
; Herrero Corral, María Teresa; Urgoitia Gabikaetxebarria, Garazi ; San Martín Faces, Raúl (MDPI, 2022-01-17)
first_page settings Open AccessArticle Palladium-Catalyzed Domino Cycloisomerization/Double Condensation of Acetylenic Acids with Dinucleophiles by Nerea Conde , María Teresa Herrero , Garazi Urgoitia and Raul ... -
Palladium-Catalyzed Oxidative Arene C-H Alkenylation Reactions Involving Olefins
(Cell Pres - Elsevier, 2022-06-01)The Palladium-catalyzed selective C-H alkenylation reaction has been established as a central synthetic transformation to enable the construction of carbon–carbon bonds in an efficient, atom-economical, and environmentally ... -
Palladium-mediated synthesis and biological evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as antileishmanial agents
(Elsevier, 2021-04-16)The development of new molecules for the treatment of leishmaniasis is, a neglected parasitic disease, is urgent as current anti-leishmanial therapeutics are hampered by drug toxicity and resistance. The pyrrolo[ 1,2-b ... -
Pd(II)-Catalyzed Fujiwara-Moritani Reactions for the Synthesis and Functionalization of Substituted Coumarins.
; ; ; Martínez Nunes, Mikel; ; ; ; (American Chemical Society, 2021-11-09)
[EN]Highly substituted coumarins, privileged and versatile scaffolds for bioactive natural products and fluorescence imaging, are obtained via a Pd(II)-catalyzed direct C–H alkenylation reaction (Fujiwara–Moritani reaction), ... -
Porous TiO2 thin film-based photocatalytic windows for an enhanced operation of optofluidic microreactors in CO2 conversion
Angulo Ibáñez, Adrián; Goitandia, Amaia M.; Albo, Jonathan; Aranzabe Basterrechea, Estíbaliz; Beobide Pacheco, Garikoitz; Castillo García, Oscar ; Pérez Yáñez, Sonia (Elsevier, 2021-06-25)
[EN] Using a photocatalytic window can simplify the design of an optofluidic microreactor, providing also a more straightforward operation. Therefore, the development of TiO2coatings on glass substrates seems appealing, ... -
Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning
(MDPI, 2021-10-26)The theoretical prediction of drug-decorated nanoparticles (DDNPs) has become a very important task in medical applications. For the current paper, Perturbation Theory Machine Learning (PTML) models were built to predict ... -
Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2‑Acylpyrrole Derivatives
(ACS, 2022-08-10)In this work, the SOFT.PTML tool has been used to pre-process a ChEMBL dataset of pre-clinical assays of antileishmanial compound candidates. A comparative study of different ML algorithms, such as logistic regression (LOGR), ... -
Preparation of Selenium-Based Drug-Modified Polymeric Ligand-Functionalised Fe3O4 Nanoparticles as Multimodal Drug Carrier and Magnetic Hyperthermia Inductor
Galarreta Rodríguez, Itziar; ; ; ; ; ; ; ; ; Gil de Muro Zabala, Izaskun ; ; ; (MDPI, 2023-06-30)
In recent years, much effort has been invested into developing multifunctional drug delivery systems to overcome the drawbacks of conventional carriers. Magnetic nanoparticles are not generally used as carriers but can be ... -
Prioritization based on risk assessment to study the bioconcentration and biotransformation of pharmaceuticals in glass eels (Anguilla anguilla) from the Adour estuary (Basque Country, France)
(Elsevier, 2022-10)The presence of contaminants of emerging concern in the aquatic environment directly impacts water-living organisms and can alter their living functions. These compounds are often metabolized and excreted, but they can ... -
Recent Advances in the Prins Reaction
; Prieto Aretxabaleta, Liher; Uria Pujana, Uxue ; Carrillo Fernández, María Luisa ; Vicario Hernando, José Luis (American Chemical Society, 2022-08)
The Prins reaction is a very convenient synthetic platform for the preparation of oxygen-containing heterocyclic compounds, especially tetrahydropyrans and tetrahydrofurans. While this reaction has been extensively used ... -
Recent Developments in Transannular Reactions
; Prieto Aretxabaleta, Liher; Carrillo Fernández, María Luisa ; Uria Pujana, Uxue ; Vicario Hernando, José Luis (Thieme, 2022-07-21)
Transannular reactions have shown a remarkable performance for the construction of polycyclic scaffolds from medium- or large-sized cyclic molecules in an unconventional manner. Recent examples of transannular reactions ...