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In the present study, chemical characterisation, thermal analysis and antibacterial activity of honeys from Melipona spp. with occurrence in Caatinga biome of Brazil. The honeys presented pH from 4.07 to 4.14, density of 1.41 g/cm3 and °Brix value of 79.90. The thermogravimetry (TG) analysis presented six-seven events and differential thermal analysis (DTA) presented three-four endothermic peaks. HPLC fingerprint revealed a predominant presence of gallic acid and vanillin. Antioxidant activity evaluated using in vitro 2,2-diphenyl-1-picrylhydrazyl radical (DPPH) radical scavenging with IC50 values in the range of 14.5404 to 15.2454 mg/mL. The honeys also showed antimicrobial activities against Staphylococcus aureus and Pseudomonas aeruginosa using a modified agar diffusion and microdilution method. The results of the present study demonstrate that the honey from stingless bees by Caatinga biome indicate polyphenol compounds, antioxidant activity and in vitro antimicrobial potential. The analytical methos permitted of fingerprint of samples.

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In this study, the oils of açaí, passion fruit, pequi, and guava were submitted to physicochemical analysis to investigate their potential application in the food industry. Gas chromatography associated with mass spectroscopy showed that oleic and linoleic acids are mainly responsible for the nutritional quality of açaí, passion fruit, pequi, and guava oils, which exhibited 46.71%, 38.11%, 43.78%, and 35.69% of the former fatty acid, and 18.93%, 47.64%, 20.90%, and 44.72% of the latter, respectively. The atherogenicity index of the oils varied from 0.11 to 0.65, while the thrombogenicity index was 0.93 for açaí, 0.35 for guava, and 0.3 for passion fruit oils, but 1.39 for pequi oil, suggesting that the use of the first three oils may lead to a low incidence of coronary heart disease. Thermogravimetry showed that all tested oils were thermally stable above 180 °C; therefore, they can be considered resistant to cooking and frying temperatures. In general, the results of this study highlight possible applications of these oils in the food industry, either in natura or in typical food production processes.

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The thermal behavior of commercial chicken, beef, and pork cartilage, were studied using thermal analysis techniques. We use thermogravimetry (TGA) to study their thermal stability between room temperature and 500 °C; differential scanning calorimetry (DSC) in a temperature range between - 50 °C and 300 °C to determine their phase changes associated with endothermic or exothermic processes, and mass spectrometry coupled to TGA to determine the release of elements as they are heated; the results are similar for the three samples. In the thermogravimetric analysis, three different phases were found corresponding to the stages of dehydration (21 °C < T < 100 °C), decomposition (100 °C < T < 300 °C, and degradation (300 °C < T < 500 °C). The DSC study shows two endothermic anomalies corresponding to melting of the aqueous content (-25 °C < T < 25 °C) and evaporation of the aqueous content (27 °C < T < 175 °C), with required enthalpies of 137.30 J/g and 1193 J/g, respectively. Mass spectrometry evidenced the release of molecules such as nitrogen, oxygen, carbon dioxide, and calcium. This study intends to give an approximation to the possible behavior of commercial cartilage that is stored for use in surgery, in no way is it intended to simulate the behavior within the human body, since the biological and physicochemical parameters inside the body are not studied. From the TGA results for different heating rates, we calculated the activation energies required in each of the phases, whose values are 3250,95 J/mol in the dehydration stage, 5130,63 J/mol for decomposition, and 22,677,52 J/mol for degradation. With the activation energies and following the Toops theory (TOOP, 1971) [13], we proceeded to calculate the lifetime in the completion of the three stages or what in thermogravimetric analysis, is known as useful life per stage, finding that a sample of cartilage stored under ambient conditions, after 62 days it loses its initial properties. Which provides an important parameter for the storage of possible synthetic biomaterials with properties similar to cartilage. It is clear that here the useful life or the change of the original properties due to temperature effects is studied, which under the Arrhenius theory is transferred to the kinetic study over time.

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Deschampsia antarctica Desv. (Poaceae) is one of the two vascular plants that have colonized the Antarctic Peninsula, which is usually exposed to extreme environmental conditions. To support these conditions, the plant carries out modifications in its morphology and metabolism, such as modifications to the cell wall. Thus, we performed a comparative study of the changes in the physiological properties of the cell-wall-associated polysaccharide contents of aerial and root tissues of the D. antarctica via thermogravimetric analysis (TGA) combined with a computational approach. The result showed that the thermal stability was lower in aerial tissues with respect to the root samples, while the DTG curve describes four maximum peaks of degradation, which occurred between 282 and 358 °C. The carbohydrate polymers present in the cell wall have been depolymerized showing mainly cellulose and hemicellulose fragments. Additionally, a differentially expressed sequence encoding for an expansin-like (DaEXLA2), which is characterized by possessing cell wall remodeling function, was found in D. antarctica. To gain deep insight into a probable mechanism of action of the expansin protein identified, a comparative model of the structure was carried out. DaEXLA2 protein model displayed two domains with an open groove in the center. Finally, using a cell wall polymer component as a ligand, the protein-ligand interaction was evaluated by molecular dynamic (MD) simulation. The MD simulations showed that DaEXLA2 could interact with cellulose and XXXGXXXG polymers. Finally, the cell wall component description provides the basis for a model for understanding the changes in the cell wall polymers in response to extreme environmental conditions.

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The thermochemical study of the 1,3-bis(N-carbazolyl)benzene (NCB) and 1,4-bis(diphenylamino)benzene (DAB) involved the combination of combustion calorimetric (CC) and thermogravimetric techniques. The molar heat capacities over the temperature range of (274.15 to 332.15) K, as well as the melting temperatures and enthalpies of fusion were measured for both compounds by differential scanning calorimetry (DSC). The standard molar enthalpies of formation in the crystalline phase were calculated from the values of combustion energy, which in turn were measured using a semi-micro combustion calorimeter. From the thermogravimetric analysis (TGA), the rate of mass loss as a function of the temperature was measured, which was then correlated with Langmuir's equation to derive the vaporization enthalpies for both compounds. From the combination of experimental thermodynamic parameters, it was possible to derive the enthalpy of formation in the gaseous state of each of the title compounds. This parameter was also estimated from computational studies using the G3MP2B3 composite method. To prove the identity of the compounds, the 1H and 13C spectra were determined by nuclear magnetic resonance (NMR), and the Raman spectra of the study compounds of this work were obtained.

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Method validation within food science is a not only paramount to assess method certainty and ensure the quality of the results, but a pennant in analytical chemistry. Proximate analysis is an indispensable requirement for food characterization. To improve proximate analysis, automated protein and thermogravimetric methods were validated according to international guidelines (including ISO 17025) and acceptance criteria of results based on certified reference materials and participation within international recognized proficiency schemes. Common food groups (e.g., meat, dairy, and grain products) were included and at the end of validation, we obtained three rugged and accurate methods with adequate z scores (-2 ≥ x ≤ 2) and recoveries (92-105%). During optimization, variables such as gas flows, subsample masses, and temperatures were varied and specific conditions (those that rendered the best results) were selected for each food group. For each validated method, a comparison (technical and economic) among the data obtained and the data extracted for its traditional counterpart were included: assays validated demonstrate to be more cost-effective labor-wise (ca. 9 and 16-fold) than their traditional alternatives. Specifically for combustion assay regression analysis (y = 0.9361x, y = 1.1001x, and y = 0.9739x, for meat, dairy and grain products, respectively) were performed to assess the factor, if any, which must be applied to the results to effectively match those obtained for Kjeldahl method. Finally, in the case of protein, samples can be analyzed under 5 min with no residue and a subsample mass below 400 mg. Moisture and ash analysis can be performed simultaneously using the same subsample. Data herein will also help harmonize and advance food analysis toward more efficient greener methods for proximate analysis.

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Taxifolin, also known as dihydroquercetin, possesses several interesting biological properties. The purpose of the study was to identify polymorphs of taxifolin prepared using crystallization in different solvents. Data from X-ray powder diffraction, differential scanning calorimetry, and thermogravimetry enabled us to detect six different crystalline phases for taxifolin. Besides the already known fully hydrated phase, one partially hydrated phase, one monohydrated phase, two anhydrous polymorphs, and one probably solvated phase were obtained. The unit cell parameters were defined for three of them, while one anhydrous polymorph was fully structurally characterized by X-ray powder diffraction data. Scanning electron microscopy and hot stage microscopy were also employed to characterize the crystallized taxifolin powders. The hydrate and anhydrous forms showed remarkable stability in drastic storage conditions, and their solubility was deeply evaluated. The anhydrous form converted into the hydrate form during the equilibrium solubility study and taxifolin equilibrium solubility was about 1.2 mg/mL. The hydrate taxifolin intrinsic dissolution rate was 56.4 µg cm-2 min-1. Using Wood's apparatus, it was not possible to determine the intrinsic dissolution rate of anhydrous taxifolin that is expected to solubilize more rapidly than the hydrate form. In view of its high stability, its use can be hypothesized.

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The role of auxin in the fruit-ripening process during the early developmental stages of commercial strawberry fruits (Fragaria x ananassa) has been previously described, with auxin production occurring in achenes and moving to the receptacle. Additionally, fruit softening is a consequence of the depolymerization and solubilization of cell wall components produced by the action of a group of proteins and enzymes. The aim of this study was to compare the effect of exogenous auxin treatment on the physiological properties of the cell wall-associated polysaccharide contents of strawberry fruits. We combined thermogravimetric (TG) analysis with analyses of the mRNA abundance, enzymatic activity, and physiological characteristics related to the cell wall. The samples did not show a change in fruit firmness at 48 h post-treatment; by contrast, we showed changes in the cell wall stability based on TG and differential thermogravimetric (DTG) analysis curves. Less degradation of the cell wall polymers was observed after auxin treatment at 48 h post-treatment. The results of our study indicate that auxin treatment delays the cell wall disassembly process in strawberries.

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Incorporating drugs into silica matrices by the melting method can be applied to obtain drug delivery systems because they are governed by electrostatic type interactions, hydrogen bonding and hydrophilic-hydrophobic interactions between the drug and the silica surface. the melting method is an environmentally correct tool since it is free of organic solvent, low cost and with easy execution for the incorporation of drugs in silicas. Drugs delivery systems are very important for improving the treatment of chronic diseases. Topiramate (TPM) is a potent antiepileptic used in high daily doses as it has low bioavailability. In this context, silica nanoparticles (NPS) were used as an inorganic matrix for TPM transport in (in vitro) release studies. The TPM was incorporated into the NPS by hot melt loading employing a new carrier preparation methodology (NPS/TPM) using a thermobalance (by Thermogravimetry-TG) with high temperature control system. The release study using dissolution media simulating gastrointestinal at pH 1.2 (stomach) and 7.4 (intestine), showed that NPS release TPM in a prolonged and pH-responsive manner. The drug was released at intestinal pH ensuring greater absorption, allowing fewer daily doses and less adverse effects. The kinetic study demonstrated the best fit to the zero-order model proving the pH-responsive profile of the developed system.

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A better understanding of the behavior of asphaltenes is paramount for improving processes related to heavy crude oil, such as transport. Previous research has studied its aggregation [1], as well as its average chemical structure [2]. But, of course, this expands beyond the realm of oil, as other applications are affected by asphaltenes [3]. This work presents the collected data from electrodeposited asphaltenes. We used an H-type cell, with a capacity of 300 ml, and a bridge length of 30 cm. A constant voltage of 300 Vs (DC) was applied to steel electrodes of 3 cm × 9 cm. The generated electric field was of 1000 V/m, (E = Voltage (V)/distance (m)). The previously described assembly was modified, adding a dynamic magnetic field of 4 mT and 1% w/w of magnetic nanoparticles. Afterward, we analyzed deposits at the anode and cathode using the DSC-TGA Netzsch 449 F1 equipment. Through it, we gathered the calorimetric (DSC) and thermogravimetric (TGA) data. Moreover, the Proteus analysis software was used to generate DTGA data from the TGA values. The same procedure and analysis were repeated for asphaltenes of the same oil but obtained through precipitation with heptane. Our data may pave the road for research seeking to improve the extraction, transport and refining of heavy crudes. The reason: asphaltenes are responsible for the high viscosity of hydrocarbons. So, thermal processes are customary. Our thermogravimetric data may prove fruitful in the improvement and development of said processes.

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A macro-thermogravimetric analysis (macro-TGA) was applied to analyse the non-isothermal drying of different bio-wastes (quince solid waste, grape marc and pumpkin shell from different enterprises located in San Juan Province, Argentina). The experimental data were obtained at three heating rates (5, 10 and 15 K/min) and two different initial moisture contents (30 and 50% w/w). These data were fitted using the Coats-Redfern and Sharp methods. The D2 model showed the best fitting for all experiments when using the Coats-Redfern method. It is assumed that drying occurs on the solid boundary. The predicted Ea values ranged from 43.60 to 64.50 kJ/mol for the three bio-wastes under the different experimental conditions. The Ea value slightly increases with the increase in heating rate because the wastes require more energy to undergo drying. Deff increases moderately with temperature at the beginning of the dehydration process; then, this increasing behaviour is significant due to the loss of continuous moisture channels. Otherwise, Deff increases with the initial moisture content, showing that the humidity of the samples did not reach the saturation content.

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RESUMEN El embalse La Nitrera se encuentra localizado a 2140 m.s.n.m. en el municipio de Concordia, departamento de Antioquia (Colombia) y es la única fuente de abastecimiento de agua del municipio. La operación de un embalse sobre un sistema lótico afecta la estructura y ensamblaje de sus ecosistemas acuáticos. Esta investigación tuvo como propósito analizar la distribución de la biomasa de los macroinvertebrados acuáticos antes y después del embalse, con el fin de determinar el impacto de este sobre las comunidades hidrobiológicas. Para tal fin, se analizaron las variables hidrobiológicas en época seca, de lluvia y en diferentes periodos de transición entre el año 2016 y 2017. Se investigaron cuatro estaciones de monitoreo, realizando la determinación, conteo y definiendo el rol trófico de los macroinvertebrados acuáticos, además de un análisis termogravimétrico (TGA) de la biomasa. Con la información obtenida, se construyó un modelo trófico y se calculó la pérdida de energía calórica disponible de la biomasa (TGA). Los resultados evidenciaron que las comunidades de macroinvertebrados acuáticos presentan una modularidad similar entre ellas en las estaciones antes del embalse, y una modularidad diferente en la estación después del embalse. A través del índice de modularidad (modelo Ghepi) y el análisis TGA, se logró establecer que el embalse altera la cadena trófica de las comunidades de macroinvertebrados acuáticos.

ABSTRACT The reservoir La Nitrera is located at 2140 m.a.s.l. in Concordia's town, in the Antioquia's department (Colombia) and is the only source of water supply in the municipality. The operation of a reservoir on a lotic system generates affectations in the structure and assembly of aquatic ecosystems. The purpose of this research was to analyze the distribution of biomass of aquatic macroinvertebrates before and after of the reservoir to determine the impact of it on the hydrobiological communities. For this purpose, the hydrobiological variables were analyzed in dry season, rain season and in different periods of transition between 2016 and 2017 in four monitoring stations, making the determination, counting and defining the trophic role of aquatic macroinvertebrates, in addition to a thermogravimetric analysis (TGA) of the biomass. With the obtained information, a trophic model and an analysis of the loss of the available caloric energy of the biomass (TGA) was made. The results showed that the communities of aquatic macroinvertebrates had a similar modularity between them in the stations before the reservoir and different modularity in the station after the reservoir. Through the modularity index (Ghepi model) and the TGA analysis, it could be established that the reservoir generates an alteration in the trophic chain of aquatic macroinvertebrate communities.

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Household slow sand filter (HSSF) performance in continuous and intermittent flows was evaluated when influent water was treated with a natural coagulant extracted from Opuntia cochenillifera. The water under study, used as influent, had a turbidity of 111 ± 17.3 NTU. When clarifying the water with O. cochenillifera, the best condition obtained was 30  mg L-1 in natural pH (without correction), generating clarified water with turbidity satisfactory to filters operation (7.83 ± 2.32 NTU). The results indicated a better performance of continuous flow HSSF in turbidity removal (79.2% ± 8.39%) and higher efficiency of intermittent flow HSSF in the removal of E. coli (2.86 log ± 0.79 log for 12  h pause period and 2.41 log ± 0.42 log for 4  h pause period). For the sake of comparison, the evaluated HSSFs had the same production (60 L day-1). The impact on the interruption of the 96-h feed into the HSSFs was analysed and the results indicated a significant change in the quality of the filtered water after resuming the operation. This fragility of technology must be considered when it is implemented as lack of water can be a reality in the target communities. Acute toxicological assays with C. xanthus larvae showed no toxicity for pretreated and filtered water; however, more testing should be performed.

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Tacinga inamoena (K. Schum.) N.P. Taylor & Stuppy, also known as quipá, is a native cactus of the Caatinga used in traditional medicine to treat urethral infections and inflammation. This study aimed to determine the physicochemical characteristics of vegetal drug obtained from the roots of T. inamoena. Analytical techniques and phytochemical tests were used, such as thermal analysis, qualitative and semiquantitative determination of secondary metabolites and spectroscopy at the infrared region. The powder of the vegetal drug met the parameters established by the Brazilian Pharmacopoeia, except for compressibility, which was low. On the thermogravimetric curve, three events related to the mass loss were verified, which correlate with the vegetal drug quality control and play a part in their standardization. The qualitative screening suggested the presence of alkaloids, flavonoids and terpenes. The infrared spectrum reinforced the presence of hydroxyl, carbonyl, and ether groups. In the semiquantitative screening, a concentration for total polyphenols of 65 mg equivalent to gallic acid g-1 to the crude ethanol extract (CEE) was obtained. On the correlation of flavonoid content to seasonality, a concentration was obtained of 3.3 mg equivalent to quercetin g-1 to the CEE obtained during the drought period and of 10.6 mg equivalent to quercetin g-1 to the CCE obtained during the rainy season. In T. inamoena, the presence of important classes of secondary metabolites, which are associated with the pharmacognostic characterization, aids the authentication and quality control of vegetal drugs of importance in traditional Brazilian medicine.

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The water-soluble melanins (SM) of Randia echinocarpa fruit possess interesting biological activities and have been scarcely characterized. In this study, SM were obtained at boiling (SMBT) and room (SMRT) temperatures and characterized by UV-Vis, IR, thermogravimetric analysis, and GC-MS of the hydrolysis products of the SM; besides, the solid-state 13 C NMR, elemental analysis, and acute and sub-acute toxicity of the SMBT were determined. SMBT and SMRT contain organic acids and carbohydrates and their spectroscopic signals and thermograms were similar, but the SMBT yield was higher. The SMBT were characterized by their elemental composition (C 48.260 ± 0.011%, N 3.693 ± 0.009% and H 6.093 ± 0.076%) consistent with the presence of aromatic rings and eumelanins, degradation temperature at 300°C, 13 C NMR signals supporting melanin-bonding with carbohydrates and organic acids, and innocuity in Balb/C mice (acute assay, LD50  > 5 g/kg b.w.; sub-acute assay, no lethality at 500 mg/kg b.w. for 30 days). PRACTICAL APPLICATIONS: The consumption of melanins has been associated with health benefits because of their biological activities (e.g., antioxidant, immunostimulatory, UV- and radiation-protective). Randia echinocarpa is employed in Mexican traditional medicine against chronic degenerative diseases (e.g., cancer and diabetes) and ailments of organs (e.g., kidney and lung) and systems (e.g., circulatory and gastrointestinal). The R. echinocarpa fruit contains water-soluble melanins (SM) that inhibit carbohydrate-digestive enzymes and show high antioxidant activity; thus, SM could be useful for the prevention and treatment of diabetes. This study showed that the SM structure contains melanin-bonding organic acids and carbohydrates, which could be associated with the SM solubility and higher yield, and that SMBT were innocuous in the acute and sub-acute assays in mice. Thus, the R. echinocarpa SMBT could be used as safe potential ingredients to develop functional products.

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The physical and chemical characterization of the solid-state properties of drugs and excipients is fundamental for planning new formulations and developing new strategies for the treatment of diseases. Techniques such as differential scanning calorimetry, thermogravimetry, X-ray powder diffraction, Fourier transform infrared spectroscopy, and scanning electron microscopy are among the most commonly used techniques for these purposes. Penciclovir and lysine are individually used to treat the herpes virus. As such, the development of a formulation containing both drugs may have therapeutic potential. Solid-state characterization showed that both penciclovir and lysine were crystalline materials with melting points at 278.27 °C and 260.91 °C, respectively. Compatibility studies of penciclovir and lysine indicated a possible interaction between these substances, as evidenced by a single melting point at 253.10 °C. The compatibility of several excipients, including ethylenediaminetetraacetic acid, cetostearyl alcohol, sodium lauryl sulphate, di-tert-butyl methyl phenol, liquid petrolatum, methylparaben, nonionic wax, paraffin, propylene glycol, and propylparaben, was evaluated in ternary (penciclovir-lysine-excipient) mixtures (1:1:1, w/w/w) to determine the optimal formulation. The developed formulation was stable under accelerated and ambient conditions, which demonstrated that the interaction between penciclovir and lysine was suitable for the development of a formulation containing both drugs.

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Abstract Dicksonia sellowiana Hook., Dicksoniaceae, is a tree-fern which is being recently used in medicine mainly for its phytotherapic activities. While several other studies have focused on D. sellowiana extract characterization in terms of its biological and antioxidant activity, the novelty of this work aims to understand the fate of this extract during thermal disposal through thermogravimetry/differential thermal analysis, thermogravimetry/mass spectrometry, Fourier transform infrared spectroscopy and elemental analysis, to further characterize this plant's extract. Thermal analysis revealed mass loss within three well-defined steps, with the respective mass signals represented generated during heating. Light-volatiles were released during the first step, with release of NO2, CO2, and ethanol in the following, as a result of extract pyrolytic decomposition. Furthermore, mass signals variation during heating indicated the release of harmless by products in contrast to other pharmaceutical and personal care products. Finally, chemical characterization confirmed the observed under thermal analysis suggesting a highly polar structure within extract's composition.

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This work aims to analyze the thermal decomposition kinetics of guarana seed residue applying inert and oxidizing atmospheres. Thermal decomposition experiments were carried out in a thermogravimetric analyser using heating rates of 5, 10 and 15 °C/min. Three thermal decomposition stages were identified: dehydration; pyrolysis/oxidative pyrolysis, and carbonization/combustion, respectively. In order to obtain the estimation of the activation energies, the isoconversional method proposed by Vyazovkin (1997) was applied. Besides that, three and six independent parallel reactions schemes were applied for respective atmospheres. The ranges of activation energy were of 52-140 kJ/mol and 71-171 kJ/mol for inert and oxidizing atmosphere, respectively. The modeling of conversion rates presented a good agreement in relation to the experimental data (AD < 4%).

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Inosine 5'-monophosphate in acidic form and its lithium, potassium, magnesium, calcium, strontium and barium were prepared from the sodium salt, characterized by elemental analysis and Fourier transform infrared spectroscopy and submitted to thermogravimetry (TG), differential thermal analysis (DTA), differential scanning calorimetry (DSC) and thermogravimetry coupled to infrared spectroscopy (TG-FTIR) of the volatile products evolved during heating. All the salts were hydrated containing from 4 to 7.5 H2O. After dehydration these salts decomposed releasing the nitrogenous base followed by the ribose group, and producing pyrophosphates as final residue. Evolved Gas Analysis (EGA) reveled the release of water, isocyanic acid and hydrocyanic acid during decomposition of the organic moiety. It was observed only water loss up to 200 °C. At temperatures above 200 °C, the nucleotides were unstable and decomposed, implying that foods containing those additives should be processed below this temperature. Finally, a general mechanism for the decomposition of the inosinates was proposed.

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Abstract These researches aimed determine the quality parameters, the nutritional profile, and the thermogravimetric and oxidative behavior of Muruci (Byrsonima crassifolia L .) oil obtained by supercritical CO2 extraction. The results showed an average oil yield of 5.50%. The acidity and peroxide values show good quality and conservation standards, according to the Brazilian legislation. The fatty acid profile indicates a predominance of unsaturated fatty acids with levels above 60%, highlighting the presence of fatty acids omega-6 and omega-9. The thermogravimetric curves showed oil stability at temperatures around 200 °C and exothermic peaks characteristic of mass loss close to 250 °C. The data of oxidative induction time determined by the Rancimat method showed thermal oxidative stability of 20.85 h for the oil obtained. The Fourier transform infrared (FTIR) spectroscopic profile evidenced chemical compounds with predominantly unsaturated structures, confirming its fatty acid profile. Based on the results of the oil analysis, it is possible to recognize the potential of this species in terms of nutritional, functional, and thermo-oxidative stability aspects.