- Research Article
- 10.1016/j.molstruc.2025.145032
On the structure of the anticoagulants acenocoumarol and warfarin: an NMR and theoretical study
- Mar 01, 2026
- Journal of Molecular Structure
- Matías Pila + 6 more +6
Publications from 2021 to 2026
Showing 10 of 318 papers
On the structure of the anticoagulants acenocoumarol and warfarin: an NMR and theoretical study
Fermentation Unlocks the Functional Role of Amaranth in Modulating Wheat/Amaranth Sourdough Microbiota and Inhibiting Yeast Growth of Refrigerated Doughs
This study focuses on the development of refrigerated doughs without chemical preservatives to obtain a clean-label product. Sourdough-based strategies were applied to replace conventional preservatives, using both spontaneous flour fermentation and a defined starter culture of Lactiplantibacillus plantarum CIDCA 8327. In parallel, a partial substitution of wheat flour with 7% amaranth flour was evaluated. To monitor fermentation, pH, titratable acidity, and viable microorganism counts were determined in the sourdoughs, along with culture-independent analyses of microbial communities in two independent spontaneously fermented trials. Dough discs prepared from these sourdoughs were analyzed for pH, titratable acidity, and viable microorganisms, and shelf life was determined based on the appearance of visible mould during refrigerated storage. No substantial differences were observed in the physicochemical parameters of the sourdoughs; however, significant differences in microbial communities were detected, influenced by both amaranth addition and wheat flour batch variability. Dough discs prepared with amaranth flour and spontaneous fermentation showed an extended shelf life and lower mould and yeast counts during refrigerated storage. The use of the starter increased shelf life compared to non-fermented doughs but was less effective than spontaneous sourdough with amaranth. Overall, these results highlight the potential of sourdough technology and amaranth flour for developing clean-label refrigerated products.
Read moreGlycine Betaine Treatment Enhanced Eggplant Chilling Tolerance by Modulating Peel and Flesh Metabolic Responses
Eggplant is highly susceptible to chilling injury (CI) when stored at temperatures below 10 °C. This study evaluated the efficacy of glycine betaine (GB) as a pre-storage treatment to enhance chilling tolerance in eggplant, focusing on tissue-specific responses in the peel and flesh. GB concentrations of 0, 5, and 10 mM were tested, with 10 mM identified as the most effective in mitigating CI symptoms and weight loss. Subsequently, eggplants treated with 10 mM GB were stored for 21 days at 4 °C, followed by 2 days at 20 °C, to assess their physiological and biochemical properties. At the end of the storage period, GB treatment significantly reduced all CI-related indicators, including the CI index, weight loss, respiration rate, softening, flesh browning, electrolyte leakage, and malondialdehyde content, thereby extending shelf life by five days compared with untreated fruit. Principal component analysis revealed that severe CI in control fruit was associated with elevated levels of proline, endogenous GB, and unsaturated fatty acids (UFAs) in the peel, indicating that this outer tissue is the primary site of cold-stress responses in eggplant. Conversely, GB-treated fruit exhibited enhanced chilling tolerance characterized by reduced softening, greater antioxidant retention in both tissues, and maintenance of UFA levels in the flesh, while peel proline, GB, and fatty acid contents remained stable. Overall, our findings provide the first evidence that GB confers cold protection by modulating tissue-specific metabolic responses in eggplant peel and flesh, offering a simple and cost-effective strategy to extend shelf life.
Read moreFluidized-Bed Drying-Roasting Process for Developing a Whole Quinoa Snack.
Recently, quinoa-based products have gain significant attention as valuable ingredients for the food industry. The objective of this work was to chemically characterize a quinoa variety (Chenopodium quinoa Willd., var. CICA) and to evaluate a drying-roasting process for producing a crispy, ready-to-eat snack. The experimental work involved determining thin layer drying-roasting curves for quinoa grains in a fluidized bed dryer at air temperatures ranging from 80 to 140°C for 30min, with an air velocity of 0.8m/s. The CICA variety contained 15.3% protein, 7.5% fat, and 70.6% carbohydrates (on a dry matter basis). Micronutrient contents, determined by Inductively Coupled Plasma-Optical Emission Spectrometry, were K (9819.2mg/kg), P (4403.6mg/kg), Ca (974.6mg/kg), and Fe (25.3mg/kg), all on a dry matter basis. The initial content of saponins was 0.183% (w/w) characteristic of a bitter variety. Washing reduced this value to 0.108% (w/w), which is an acceptable level for human consumption. This treatment also decreased mineral content by 10-38%. A mathematical model, consisting of local mass and heat balances in spherical geometry with variable diffusion coefficient and shrinkage, was solved using finite differences. An activation energy of 35.7kJ/mol was estimated by solving an inverse problem, utilizing the complete dataset. Predicted temperatures and average moisture contents showed good agreement with experimental values. To obtain a porous and crispy product, a process time of 10min at temperatures above 100°C was required.
Read moreSynthesis of Acetylated Phenolic Compounds with Promising Antifouling Applications: An Approach to Marine and Freshwater Mussel Settlement Control
Biofouling by mussels is responsible for serious economic losses worldwide. In Argentina, Limnoperna fortunei (Dunker, 1857) and Brachidontes rodriguezii (d’Orbigny, 1842) are common and abundant bivalve species of great interest, inhabiting freshwater and marine coasts, respectively. Both species are considered fouling pests for coastal industrial facilities that use untreated water as part of their processes. To chemically control mussel biofouling, it is necessary to find efficient and environmentally friendly non-biocidal compounds. In this work, we report the antifouling activity of three phenolic compounds (hydroquinone, resorcinol, and catechol) and their respective acetylated derivatives against L. fortunei and B. rodriguezii mussels. Classic ecotoxicity tests with Artemia salina were also performed. Acetylated phenolic compounds were synthesized in the laboratory by sustainable chemistry procedures. Results revealed the importance of hydroquinone, resorcinol, and catechol and their diacetylated derivatives for preventing the settlement of both these mussels, in a non-biocide way. Ecotoxicity bioassays revealed that these compounds were not toxic, with the exception of resorcinol. We propose the incorporation of these compounds in solution into closed circuits and water sprinkler anti-fire systems to prevent the settlement of L. fortunei and their inclusion in antifouling paints to prevent the settlement of B. rodriguezii. These results highlight a new friendly alternative for controlling mussels.
Read moreImproving PAH-chronically contaminated soil bioremediation using a combined strategy of bioaugmentation and surfactant-enhanced biostimulation
Abstract Aged polycyclic aromatic hydrocarbon (PAH)-contaminated soil represents a challenge for the application of an effective bioremediation strategy, as the low PAH bioavailability limits microbial degradation. This study aimed to compare the effect of bioaugmentation (BA) and the coupled strategy of bioaugmentation and biostimulation (BA-SEB) on a chronically hydrocarbon-contaminated soil (IPK). For BA, we compared the performance of three PAH-degrading consortia with increasing diversity: SC AMBk, SC1, SC4. For BA-SEB, we coupled inoculation with these consortia with the addition of Triton X-100 surfactant, at sub-critical micelle concentration dose. In the BA microcosms, inoculation did not result in significant degradation of the determined PAH after 58 days of incubation. Among the BA-SEB microcosms, SC4 inoculated ones and the non-inoculated control showed significant degradation of fluoranthene, chrysene, and pyrene during the incubation period. Notably, BA-SEB microcosms inoculated with SC4 achieved superior pyrene degradation compared to the others. Both inoculation and the addition of surfactant impacted the community assembly, with the surfactant exerting the major effects. The surfactant addition stimulated several genera related to the degradation of PAH ( Novosphingobium, Blastomonas ). In addition, co-occurrence network analysis revealed that in SC4 inoculated microcosms most of these genera were positively correlated with the inoculated genera, particularly with Paraburkholdeira genus. The application of the combined strategy using the SC4 consortium in IPK soil successfully stimulated PAH biodegradation, demonstrating the importance of inoculant diversity and the identity of the consortium members under increased stress conditions (i.e from acute to aged contamination) for the strategy’s success.
Read moreCationic charge influence on the magnetic response of the Fe <sub>3</sub> O <sub>4</sub> –[Me <sup>2+</sup> <sub> 1− <i>y</i> </sub> Me <sup>3+</sup> <sub> <i>y</i> </sub> (OH <sub>2</sub> )] <sup> <i>y</i> + </sup> (Co <sub>3</sub> <sup>2−</sup> ) <sub> <i>y</i> /2 </sub> ·mH <sub>2</sub> O hydrotalcite system
Abstract This work reports the influence of cationic charge on the magnetic response of hydrotalcites combined with magnetite nanoparticles. Fe 3 O 4 particles were synthesized by the co-precipitation method, and the resulting magnetic particles were dispersed. A mixture of Mg, Me (Ni, Co, Sr), and Al nitrates with stoichiometric Me 2+ /Me 3+ molar ratios of 2 and 3 was added. X-ray diffraction patterns revealed the presence of Fe 3 O 4 and hydrotalcite main phases and some secondary phases in the Sr 2+ -modified sample. The FTIR spectra provided information on the chemical structure of the materials and confirmed the presence of representative vibrational bands for the composite structure. N 2 adsorption–desorption isotherms analyzed by the BET method indicated remarkable porous properties for the synthesized samples, and higher surface areas of 160 and 145 m 2 /g were obtained for Fe 3 O 4 MgCoAl x = 3 and Fe 3 O 4 MgNiAl x = 3, respectively, with an increasing modifying cation ratio. The morphological characterization through SEM showed that a higher content of divalent cations favors the formation of larger particles, reaching a particle size of 786 nm for the sample with Ni 2+ addition. The magnetic measurements showed marked ferromagnetic behavior with variations in saturation and remanent magnetizations due to the influence of modifying cations. The analysis revealed a correlation between the cationic charge and the magnetic and structural properties of the hydrotalcites, suggesting effective control over the magnetic properties by manipulating the cationic charge in these composite materials.
Read moreTechnological and Quality Features of Gluten Free Sponge Cakes Baked by Combined Ohmic‐Hot Air System
ABSTRACTThis work aimed to study the combined baking of a gluten‐free sponge cake using an ohmic system and a hot air system. A temperature‐resistant silicone mold was modified to hold the ohmic cell; two parallel stainless‐steel electrodes were mounted across the width of the mold, with a 9 cm gap. Series baking tests used a first ohmic stage, followed by a hot‐air stage in an electrical oven for 5 or 10 min at 180°C or 220°C. Simultaneous baking tests were performed in a hot air toaster oven for 5 or 10 min at 180°C or 200°C, with the ohmic system switched on for the first 3 min. As a control, traditional baking was performed for 20 min at 180°C. The cake was evaluated for various technological (baking time, energy consumption, efficiency) and quality characteristics (surface color, weight loss, moisture content, crumb density, height, hardness, cohesiveness, elasticity). Compared to conventional baking, the use of ohmic baking reduces the baking time from 20 to 5 min and specific energy consumption from 10,727 to 5075 kJ/kg, providing higher and less dense products, but crustless, colorless surfaces and drier. The series baking allows improving crust formations and surface color, but high weight loss remains. The simultaneous baking allows keeping weight loss controlled. In all cases, instrumental texture properties were not significantly different. The results showed the potential application of ohmic technology for fast and energy‐efficient industrial baking, and how to solve deficiencies related to crustless and colorless characteristic product surfaces.
Read moreProduction of Sustainable Materials from Lemon Bio-waste Using Circular Economy
International audience
Nutritional and Functional Characterization of Chia Expeller and Gluten-Free Flours as Ingredients for Premixes.
The growing consumer demand for healthier foods that help reduce the risk of chronic diseases has driven the food industry to innovate with nutritionally and technologically viable products. This trend and the nutritional gaps in gluten-free diets have spurred the exploration of unconventional, high-quality ingredients like flour from pseudocereals, legumes, and oilseeds. This study evaluated the nutritional and functional profiles of chia expeller and flours from buckwheat, green/yellow peas, and rice to study their potential as techno-functional ingredients for new gluten-free premixes. Chia expeller, rich in protein, lipids, and fiber, with a notable fatty acid profile -particularly α-linolenic and linoleic acids- and significant levels of Ca, Mg, Fe, Zn, Cu, P, and Na, emerged as a standout ingredient. It also demonstrated remarkable water-binding functionality. Pea flours were notable for their high protein, Ca, Cl, Fe, and linoleic acid content. Meanwhile, rice and buckwheat flours were distinguished by their carbohydrate and oleic acid content. Buckwheat also provides substantial Mg and Zn, while rice flour stood out for its higher brightness. These findings underscore the potential of these flours to contribute to the development of functional foods tailored to meet specific nutritional needs and consumer preferences for healthier options. The distinct functional properties of each flour type can contribute to making targeted formulations, improving the technological properties of gluten-free products.
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