Institut Català d'Investigació Química (ICIQ): Recent submissions
Now showing items 21-40 of 1283
Non-innocent Role of the Halide Ligand in the Copper-Catalyzed Olefin Aziridination Reaction
In the context of copper-catalyzed nitrene transfer to olefins, many systems operate upon mixing a CuX salt (X = halide, OTf) and a polydentate N-based ligand, assuming that the X ligand is displaced from the coordination ...
Nanoengineered Photoactive Micromotors for Targeted Pollutant Capture, Degradation and SERS-based Detection
Achieving both selective pollutant degradation and real-time detection within a single micromotor system remains challenging for environmental monitoring. To address this limitation, we engineered gold nanostar-decorated, ...
Dynamic Confinement Approach for High Metal Loading Single-Atom Catalysts Based on Covalent Organic Frameworks
Single-atom catalysts (SACs) offer stable, well-defined active sites by anchoring individual metal atoms on stable organic or inorganic supports, though achieving high metal loadings without clustering or leaching remains ...
Supramolecular Rebound Healing Mechanism Enhances the Performance of Graphitic Hybrid Monomeric and Oligomeric Molecular Anodes for Electrocatalytic Water Oxidation
Water-splitting with sunlight for the generation of solar fuels is regarded as a short- to medium-term solution for the mitigation of global warming. Devices for this purpose require robust redox catalysts embedded in ...
Coupling Ni-based anodes for textile industry process stream electrooxidation with electrocatalytic CO2 reduction to formate in gas phase
Scaling up CO2 electroreduction to formate faces several challenges, including using chemicals as electrolytes and high energy demands. To address these issues, this study uses an industrial stream—specifically a caustic ...
Enantioselective Cyclization of Bromoenynes: Mechanistic Understanding of Gold(I)-Catalyzed Alkoxycyclizations
The first enantioselective gold(I)-catalyzed alkoxycyclization of bromo-1,6-enynes is achieved using a modified JohnPhos ligand with a distal C2-chiral 2,5-diarylpyrrolidine. By using a chiral catalyst of the same family, ...
Enhanced Electrocatalytic and Selective CO2-to-CO Reduction by a Rhenium(I) Complex Bearing 6,6′-Substituted 2,2′-Bipyridines
The electrochemical reduction of CO2 (CO2RR) into value-added chemicals offers a promising route toward a circular carbon economy and a reduced reliance on fossil fuels. A detailed understanding of the structural and ...
Dual Co/Photoredox-Catalyzed Regio- and Stereoselective Synthesis of Highly Functional 1,3-Dienes
A dual Co/photoredox catalytic coupling of 1,3-enynes and α,ß-unsaturated aliphatic aldehydes and ketones has been developed that creates access to highly functional 1,3-diene synthons through a regio- and stereoselective ...
Real-Time Detection of Human Growth Hormone Based on Nanoporous Anodic Alumina Interferometric Biosensor
Human growth hormone (hGH) is a polypeptide hormone that is synthesized and secreted by the anterior pituitary gland, whose excess is linked to acromegaly-causing pituitary adenomas while deficiencies are linked to disorders ...
TAMOF-1 for capture and separation of the main flue gas components
Experimental screening of Metal Organic Frameworks (MOFs) for separation applications can be costly and time-consuming. Computational methods can provide many benefits in this process, as expensive compounds and a wide ...
Peroxisomes, PPARs, and Their Role in Macrophages
Macrophages are versatile immune cells capable of modifying their functions based on their location and the specific requirements of the immune response. They polarize into the M1 phenotype when stimulated by inflammatory ...
Sulfur-Centered Mechanism in Catalytic Methanolysis of Hydrosilanes Mediated by Air-Stable Mo3S4 Clusters
Methanolysis of hydrosilanes is catalyzed by incomplete cubane-type Mo3(μ3-S)(μ-S)3 clusters functionalized with diamino and imidazolyl amino ligands under mild conditions. Silane activation mediated by the air-stable ...
Enzyme-like Hydrogen Atom Transfer (HAT) Based Endo-Functionalized Molecular Receptors
We report a series of endo-functionalized molecular receptors based on a calix[4]pyrrole scaffold, which exhibit Hydrogen Atom Transfer (HAT) reactivity towards free-radicals (e.g., peroxyl radicals). The chemical structure ...
Hydrogen evolution reaction evidenced for Mo2O2S2-thiosemicarbazone coordination complexes
In this study, a family of 7 dinuclear and tetranuclar complexes formed between the thiocation [Mo2O2S2]2+ and various bis-thiosemicarbazone ligands are studied towards their properties for the reduction of protons into ...
The Power of Catalytic Centers and Ascorbate in Boosting the Photocatalytic Hydrogen Evolution Performance of TpDTz 2D-COF
The photocatalytic hydrogen evolution activity of a model 2D covalent organic framework (TpDTz) containing a thiazolo[5,4-d]thiazole (DTz) electron acceptor and triformylphloroglucinol (Tp) electron donor groups is enhanced ...
An Integrated 12C/13C Exchange Platform for Accessing Isotopically-Labeled Ketones via Dual Catalytic C–C Bond-Functionalization
Herein, we describe an integrated diacylation/acylation platform that formally converts simple ketones into their 13C-labeled homologues. The method relies on the propensity of proaromatic dihydroquinazolinones to generate ...
Boosting effect of encapsulated polyoxometalates in the photocatalytic CO2 reduction by MOF-545
Achieving efficient photocatalytic CO2 reduction is a current complex challenge, requiring the development of strategies that optimize not only the capture of photons but also the photoinduced charge separation and electron ...
Control of Si and Z/E Stereochemistry via Si-Enantioconvergent and Z/E-Selective Catalysis
Optical isomerism at stereogenic centers and geometrical isomerism in alkenes are foundational concepts in stereochemistry. Achieving precise control over Z and E configurations in alkene synthesis has long posed a significant ...
Evaluating the transfer learning from metals to oxides with GAME-Net-Ox
The estimation of the strength of the bond of adsorbates on the surface is key to the design of novel materials for heterogeneous catalysis. Machine learning (ML) methodologies have proven effective in rapidly and accurately ...
Multi-modal contrastive learning for chemical structure elucidation with VibraCLIP
Identifying molecular structures from vibrational spectra is central to chemical analysis but remains challenging due to spectral ambiguity and the limitations of single-modality methods. While deep learning has advanced ...
