Green Chemistry

Preparation, Characterization and Application of Metallic and Bimetallic Nanocatalysts in the Synthesis of Potentially Bioactive Compounds, through Economic and Sustainable Processes

Supported metallic and bimetallic nanocatalysts were synthesized and characterized. They were employed in different steps of the synthesis of a variety of bioactive compounds, taken in place the high atom economy and the sustainability of the process. The recoverability and reusability of the nanocatalysts was studied. The nanocatalyst were used particularly in C-H activation reaction, through a cross dehydrogenative coupling reaction (CDC), to form new C-C and C-heteroatom bonds.

Chemo- and Regioselective Aqueous Phase, Co-Acid Free Nitration of Aromatics Using Traditional and Nontraditional Activation Methods

Electrophilic aromatic nitrations are used for the preparation of a variety of synthetic products including dyes, agrochemicals, high energy materials, and pharmaceuticals. Moreover, nitro compounds can be used as intermediates and easily reduced to products such as anilines, that are important feedstock in a broad range of syntheses. Traditional nitration methods use highly acidic and corrosive mixed acid systems which present a number of drawbacks.

Designing CO2-responsive and Degradable Polymers

Plastic is a frequently used material that can vastly harm the environment. Most disposed plastics persist in the environment, breaking down into smaller particles known as microplastics that harm aquatic life and humans. Polymers capable of degradation can alleviate the presence of microplastics in the environment, but degradation rates are often slow (>100 years) and harsh acidic or basic conditions may be required for complete degradation.

Electrophotocatalyzed Fragmentation of Lignin Models

The use of electricity and visible light as "clean reactants" eliminates the need for stoichiometric amounts of chemical reagents that generate waste. Furthermore, this research the replacement of toxic metal catalysts, with safer organic photocatalysts. The methodology allows operations under mild conditions, reducing energy consumption and saving purification steps through combined depolymerization and functionalization processes, which maximize resource efficiency.

Synthesis of Minor Cannabinoid Analogues Related to Antiproliferative Natural Products

Throughout history, natural products have consistently proven to be invaluable sources of solutions for humanity, particularly regarding the development of treatments for diseases. If only small molecules are taken into consideration, almost half of the approved anti-cancer drugs since mid-last century are either natural products or compounds related to them in some way. Among the natural products that have gained increasing interest in recent decades are cannabinoids and related meroterpenoids.

Scopes and Limitations of DFT Methods for Accurate Spectroscopic Prediction of Systems with Intramolecular Hydrogen Bonds

The application of quantum-based NMR methods for the structural elucidation of natural and unnatural products has grown significantly. However, accurately calculating the conformational landscape of flexible molecules with intricate intramolecular hydrogen bonding (IHB) networks continues to be a major challenge. Previous studies have shown that to solve biased systems with strong IHB interactions, it is necessary to calculate the Boltzmann contributions using Gibbs free energies computed with at least a triple-ξ basis set and the SMD solvation model.

Photoinduced Synthesis of 4H-Benzo[E]Pyrazolo[1,5-B][1,2,4]Thiadiazine Derivatives by Intramolecular C-N Coupling

Sulfonamides represent an important family of compounds with diverse biological activities, especially recognized as antibiotics. 1,2,4-Benzothiadicines-1,1-dioxide belong to a family of cyclic sulfonamides with significant pharmacological applications, such as antimicrobial, antiviral and antidiabetic. In addition, they are used clinically as diuretics and antihypertensives.

Synthesis and Evaluation of Trehalose - Pks13 Inhibitor Conjugates Targeting Mycobacterium Species

Mycobacterium tuberculosis (Mtb), an opportunistic pathogen, is responsible for tuberculosis (TB), one of the deadliest infectious diseases. The mycomembrane of Mtb contributes to its resistance against many broad-spectrum antibiotics due to its lipid-rich structure, primarily composed of mycolic acids. Inhibiting the biosynthesis of mycolic acids is a promising strategy in TB drug discovery, as this pathway is enriched with essential enzymes that could serve as selective drug targets.

Synthetic Photoelectrochemistry Oriented to the Obtention of Organic Compounds. C-H Bonds Oxidative Activation

The development of sustainable methodologies for the synthesis of organic compounds is a fundamental challenge in modern organic chemistry. This project is focused on advancing the fields of photoredox catalysis (PRC) and synthetic photoelectrochemistry, exploring their applications in oxidative C-H substitution reactions.

Development of Green Corrosion Inhibitors from Atemoya Peel and Seed in HCl 1M

Corrosion is a highly undesirable phenomenon in the oil and gas industry, which relies on metallic pipelines to transport acidic compounds or in corrosive environments. This issue can lead to significant economic losses due to structural damage and environmental harm associated with toxic corrosion inhibitors. In this context, green corrosion inhibitors have emerged as a promising alternative, offering high efficiency, biodegradability, and low toxicity, while being derived from natural and sustainable sources.

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