Ana Maria Silva Soares

Protein-rich matrices are at the forefront of food industry innovation due to their role in healthier diets and weight management. Beyond their nutritional value, proteins modulate gastrointestinal hormones such as cholecystokinin (CCK) and the incretins GLP-1 and GIP, which regulate gastric emptying and appetite. These effects are driven by bioactive peptides and amino acids released during gastric proteolysis, highlighting the need for analytical approaches that capture this dynamic process rather than static composition.To address this, an UHPLC-FLD method was developed for quantification of free amino acids following INFOGEST gastric digestion. The protocol uses OPA pre-column derivatization, combined with cold methanol extraction and refrigerated centrifugation. The method showed good sensitivity (LODs: 0.7–2.4 μg/mL; LOQs: 2.0–6.7 μg/mL) and recoveries of 80–114%.A Gastric Efficiency Index (GEI) was proposed to rank protein matrices based on their release of satiety-related amino acids, supporting the identification of ingredients with appetite-modulating potential.

Ethyl oleate (EO) is an emerging compound used in the food industry as a pre-treatment additive in preservation processes, such as drying, allowing the shelf-life to be extended while preserving the nutritional value of the treated food without compromising consumer safety. Currently, EO is mostly synthesised from edible oils, which raises concerns about competition with the food chain. As an alternative, we previously developed an EO product from a High-Oleic Waste (HOW) obtained from industrial distillation pipelines. Due to the potential application of EO as a food additive, the present study aimed to evaluate its stability throughout its shelf-life in comparison with two commercial benchmarks under accelerated conditions (40 °C, 75% relative humidity, 6 months). Colour parameters (Total Colour Difference and Yellow Index), structural properties by FTIR-ATR, thermal properties by DSC, compositional stability by GC-MS, formation of lipid oxidation products by UV-Vis and cytotoxicity in keratinocytes were evaluated at the beginning (T0) and at the end (T6) of the assay. In general, the synthesised EO showed no considerable changes in the parameters studied after storage, being comparable to the assayed benchmarks. In conclusion, the developed EO was found to be stable during the assayed shelf-life, confirming its potential suitability as an additive for the food industry. Future studies should perform validation in food matrices.

An optimized 6 : 1 ethanol ratio with 10% recirculated EO for 96.35% yield achieved an EO purity of 86.16%.

Background Kaurenoic acid (KA) is a bioactive diterpenoid commonly found in traditional medicinal plants such as Copaifera species, widely used in Amazonian ethnomedicine for its anti-inflammatory and antimicrobial properties. However, the sustainable supply of KA is limited due to environmental pressures and its complex extraction process from natural sources. Synthetic biology presents an innovative solution for producing KA, potentially reducing environmental impact while maintaining its traditional medicinal value. Aim of the study This work discusses the potential bioactive properties of kaurenoic acid (KA) obtained through synthetic biology. While ethnopharmacological studies have highlighted the anti-inflammatory and antimicrobial effects of plant extracts containing KA, limited research has focused on the pure compound due to its cost and limited availability. Materials and methods The study employed quantitative structure-activity relationship (QSAR) modeling and in vitro assays to investigate the anti-inflammatory and antimicrobial activities of S-KA and KNa. Physicochemical characterization, including Fourier transform infrared spectroscopy (FTIR-ATR), differential scanning calorimetry (DSC), and X-ray diffraction (XRD), was conducted to compare structural properties and purity with G-KA. Additionally, solubility studies were performed across various solvents to assess the potential for different bioapplications. Results Purity assessments revealed 99.06% for S-KA versus 98.83% for a commercial standard. In silico calculations indicated that KA is hydrophobic. Solubility tests prompted the synthesis of a sodium salt derivative (KNa), increasing water solubility. Experimental evaluations demonstrated that S-KA and KNa exhibited similar (IL-6, IL-8) anti-inflammatory activity compared to betamethasone, and growth inhibition was observed against Staphylococcus aureus and Staphylococcus epidermidis. Conclusion These findings highlight that kaurenoic acid from fermentation offers a sustainable alternative to naturally sourced KA with comparable bioactivity. The sodium salt derivative (KNa) enhances water solubility, expanding its potential for pharmacological applications. This study highlights the relevance of synthetic biology in preserving traditional medicinal knowledge while promoting environmental sustainability.

In this study, a material based on polyethylene (PE) and microcrystalline cellulose (MC) was developed as a breathable packaging film. Surface functionalization of MC with 3-aminopropyltriethoxysilane (APTES) has been shown to be an efficient option to tailor their properties and increase opportunities for the application of MC on the reinforcement of polymers such as polyethylene (PE). The functionalization of MC with the mentioned silane derivative was achieved using a green method and later used in the development of composites with PE in three percentages (1, 3, and 5%). All the materials were prepared by melt blending and characterized in terms of structural properties (ATR-FTIR and FTIR in transmittance mode, EDX, and SEM), thermal properties (DSC and TGA), thermomechanical properties (DMA), contact angle measurements and permeability to water vapor. The materials demonstrated the potential to be used as breathable film packaging for fresh products.

In this study a material based on Polyethylene (PE) and Microcrystalline Cellulose (MC) was developed as a breathable packaging film. Surface functionalization of MC with 3 aminopropyltriethoxysilane (APTES) shows to be an efficient alternative to tailor their properties and increase opportunities for the application of MC on the reinforcement of polymers such polyethylene (PE). Functionalization of MC with mentioned silane derivative was achieved using a green method and later used on the development of composites with PE in three percentages (1, 3 and 5%). All the materials were prepared by melt blending and characterized, in terms of structural properties (ATR-FTIR and FTIR in transmittance, EDX, SEM), thermal properties (DSC and TGA), thermomechanical properties (DMA), contact angle measurements and permeability to oxygen and water vapor. The materials demonstrated to have potential to be used as breathable film packaging of fresh products.

Lipid molecules, such as policosanol, ergosterol, sphingomyelin, omega 3 rich phosphatidylcholine, α-tocopherol, and sodium butyrate, have emerged as novel additions to the portfolio of bioactive lipids. In this state-of-the-art review, we discuss these lipids, and their activity against obesity and mental or neurological disorders, with a focus on their proposed cellular targets and the ways in which they produce their beneficial effects. Furthermore, this available information is compared with that provided by in silico Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) models in order to understand the usefulness of these tools for the discovery of new bioactive compounds. Accordingly, it was possible to highlight how these lipids interact with various cellular targets related to the molecule transportation and absorption (e.g., α-tocopherol transfer protein for α-Tocopherol, ATP-binding cassette ABC transporters or Apolipoprotein E for sphingomyelins and phospholipids) or other processes, such as the regulation of gene expression (involving Sterol Regulatory Element-Binding Proteins for ergosterol or Peroxisome Proliferator-Activated Receptors in the case of policosanol) and inflammation (the regulation of interleukins by sodium butyrate). When comparing the literature with in silico Quantitative Structure–Activity Relationship (QSAR) models, it was observed that although they are useful for selecting bioactive molecules when compared in batch, the information they provide does not coincide when assessed individually. Our review highlights the importance of considering a broad range of lipids as potential bioactives and the need for accurate prediction of ADMET parameters in the discovery of new biomolecules. The information presented here provides a useful resource for researchers interested in developing new strategies for the treatment of obesity and mental or neurological disorders.

Bio-based polyurethane materials are broadly applied in medicine as drug delivery systems. Nevertheless, their synthesis comprises the use of petroleum-based toxic amines, isocyanates and polyols, and their biocompatibility or functionalization is limited. Therefore, the use of lysine residues as amine sources to create non-isocyanate urethane (NIU) linkages was investigated. Therefore, a five-membered biscyclic carbonate (BCC) was firstly synthetized and reacted with a protected lysine, a tripeptide and a heptapeptide to confirm the urethane linkage formation with lysine moiety and to optimize reaction conditions. Afterwards, the reactions between BCC and a model protein, elastin-like protein (ELP), and β-Lactoglobulin (BLG) obtained from whey protein, respectively, were performed. The synthesized protein materials were structural, thermally and morphologically characterized to confirm the urethane linkage formation. The results demonstrate that using both simple and more complex source of amines (lysine), urethane linkages were effectively achieved. This pioneering approach opens the possibility of using proteins to develop non-isocyanate polyurethanes (NIPUs) with tailored properties.

Background: Tuberculosis (TB) is the second leading cause of mortality worldwide being a highly contagious and insidious illness caused by Mycobacterium tuberculosis, Mtb. Additionally, the emergence of multidrug-resistant and extensively drug-resistant strains of Mtb, together with significant levels of co-infection with HIV and TB (HIV/TB) make the search for new antitubercular drugs urgent and challenging. Methods: This work was based on the hypothesis that an active compound could be obtained if substituents present in some other active compounds were attached on a core of an important structure, in this case the indole scaffold, thus generating a hybrid compound. A QSAR-oriented design based on classification and regression models along with the estimation of physicochemical and biological properties have also been used to assist in the selection of compounds. Chosen compounds were synthesized using various synthetic procedures and evaluated against M. tuberculosis H37Rv strain. Results: Selected compounds possess substituents at positions C5, C2 and N1 of the indole ring. The substituents involve p-halophenyl, pyridyl, benzyloxy and benzylamine groups. Four compounds were synthesised using suitable synthetic procedures to attain the desired substitution at the indole core. From these, three compounds are new and have been fully characterized, and tested in vitro against the H37Rv ATCC27294T Mtb strain, using isoniazid as a control. One of them, compound 2, with the pyridyl group at N1, has an experimental log (1/MIC) very close to 5 and can be considered as being (weakly) active. In fact, it is more active than 64% of all indole molecules in our data sets of experimental results from literature. The most active indole in this data sets has log (1/MIC)=5.93 with only 6 compounds with log (1/MIC) above 5.5. Conclusion: Despite the lower activity found for the tested compounds, when compared to other reported indole-derivatives, these structures, which rely on a hybrid design concept, may constitute interesting scaffolds to prepare a new family of TB inhibitors with improved activity.