A5069958331- Photochemistry and Electron Transfer Studies
- Luminescence and Fluorescent Materials
- Porphyrin and Phthalocyanine Chemistry
- Carbon Dioxide Capture Technologies
- Photochromic and Fluorescence Chemistry
- DNA and Nucleic Acid Chemistry
- Liquid Crystal Research Advancements
- Photoreceptor and optogenetics research
- X-ray Diffraction in Crystallography
- Catalysis and Hydrodesulfurization Studies
- Catalytic Alkyne Reactions
- Organometallic Complex Synthesis and Catalysis
- Bioactive Compounds and Antitumor Agents
- Carbon dioxide utilization in catalysis
- Fluorine in Organic Chemistry
- Phenothiazines and Benzothiazines Synthesis and Activities
- Ionic liquids properties and applications
- Crystallization and Solubility Studies
- Chemistry and Chemical Engineering
- Parasites and Host Interactions
- Synthesis and characterization of novel inorganic/organometallic compounds
- Antimicrobial agents and applications
- Biofuel production and bioconversion
- Chemical Reactions and Mechanisms
- CO2 Reduction Techniques and Catalysts
Universidade Federal do Rio Grande do Sul
2016-2025
Universidade do Porto
2019-2023
Rede de Química e Tecnologia
2019-2023
This work presents the synthesis, photophysical characterization, and application of ATRP polymerization initiators to produce photoactive solid-state fluorescent polystyrene-based polymers. These compounds present absorption in UV region (∼340 nm) emission blue-green regions with large Stokes shift (∼10 000 cm–1) due a proton transfer process excited state (ESIPT). Theoretical calculations at TD-DFT level theory CAM-B3LYP functional were also performed order study geometry charge...
Understanding the mechanism of drug action in biological systems is facilitated by interactions between small molecules and target chiral biomolecules. In this context, focusing on enantiomeric recognition carbohydrates solution through steady-state fluorescence emission spectroscopy noteworthy. To end, we have developed a third generation optical sensors for carbohydrates, distinct from all those previously presented, which interact with to form non-covalent probe-analyte interactions. The...
Ideal liquid sorbents, such as phenolate zwitterions, represent a novel and promising technology for CO2 capture. To enhance their design reactivity with CO2, two types of substituents, electron‐donating groups (EDGs) electron‐withdrawing (EWGs) were investigated. Using Density Functional Theory (DFT) large basis set, effectiveness modulators was assessed through energy decomposition analysis, non‐covalent interaction, natural bond orbitals (NBO), evaluation reaction barriers pKa. EDGs, in...
A series of nickel(<sc>ii</sc>) complexes [NiBr<sub>2</sub>(N^Se)<sub>2</sub>] (<bold>Ni1–Ni5</bold>) based on bidentate N^Se ligands were prepared by reacting arylselenyl–pyrazolyl (<bold>L1–L5</bold>) with NiBr<sub>2</sub>(DME) (DME = 1,2-dimethoxyethane).
In this study, we synthesized a spiropyran containing an electron-withdrawing carboxyl group in good yield by condensation of aromatic aldehyde with enamine indole. The absorbed at the ultraviolet region maximum approximately 300 nm, demonstrating slight solvatochromism (~3 nm). A fluorescent emission around 360 nm was observed higher solvatochromic effect (~12 nm), indicating electronic delocalization excited state. photoreversibility open and closed forms 365 not observed, that absence...
The zwitterions resulting from the covalent attachment of 3- or 4-hydroxy benzene to 1,3-dimethylimidazolium cation represent basic compounds (pKa 8.68 and 8.99 in aqueous solutions, respectively) that chemisorb solutions 0.58 mol/mol carbon dioxide at 1.3 bar (absolute) 40 °C. Equimolar amounts chemisorbed CO2 these are obtained 10 Chemisorption takes place through formation bicarbonate solution using imidazolium-containing phenolate. is liberated by simple pressure relief heating,...
Polar-end 3,5-diarylisoxazol liquid crystals (ILCs) with nitro, amine and bromine polar terminal groups were thermally structurally characterized. The nitro bromo terminated compounds exhibited the highly ordered CrE mesophase...
The Rhodococcus erythropolis (strain IGTS8) bacterium has a tremendous industrial interest as it can remove sulfur from crude oil through its four-enzyme (DszA-D) 4S metabolic pathway. DszC is one of the rate-limiting enzymes pathway and that most suffers feedback inhibition. We have combined molecular docking dynamics simulations to identify binding sites which two products pathway, 2-hydroxybiphenyl 2′-hydroxybiphenyl-2-sulfinate, induce identified four potential sites: adjacent close...
The photolysis mechanisms of 1<italic>H</italic>-1,2,3-triazole and 1<italic>H</italic>-1,2,3-benzotriazole were elucidated by employing multiconfigurational methods (CASSCF CASPT2) non-adiabatic molecular dynamics.
Isothiazolinones represent a class of heterocyclic compounds widely used in various applications, including as biocides cosmetics, detergents, and paints, well industrial wastewater treatment. Indeed, the presence isothiazolinones environment their associated potential health hazards have raised significant concerns. In this study, non-adiabatic dynamics investigation was conducted using state-of-the-art methodologies to explore photochemistry isothiazolinones. A simplified model, isothiazol-3(
This study describes the synthesis of new carboxylated merocyanine dyes by Knoevenagel condensation between 4-carboxybenzaldehyde and indolium/benzoindolium- benzothiazolium-based coupling compounds. The condensations were performed in presence ammonium acetate, products obtained good yields after simple purification. These merocyanines exhibit UV-A-to-blue absorption blue-to-green fluorescence emission, characterized relatively large Stokes shift values (∼5000 cm–1). In addition, quantum...
Infections caused by Schistosoma haematobium and Opisthorchis viverrini are classified as carcinogenic. Although carcinogenesis might be a multifactorial process, it has been postulated that these helminth produce/excrete oxysterols estrogen-like metabolites act initiators of their infection-associated carcinogenesis. Current treatment control infections rely on single drug, praziquantel, mainly targets the parasites not pathologies related to infection including cancer. Thus, there is need...
Two dyes, 4 and 5, bearing an alkoxy group as a donor connected to cyanoacrylic acid acceptor/anchoring bridged by the phenylacetylene unit were designed synthetised through Knoevenagel condensation between aromatic aldehydes cyanoacetic reagent. The dyes characterised using FT-IR, 1H-NMR, 13C-NMR, ESI-HRMS polarised optical microscopy, absorption fluorescence techniques. Nematic mesophase was identified for both rod-shaped dyes. During heating at high temperatures (>200°C), exhibited marked...