Non-volatile Compounds Research Articles

Dairy wastewater treatment with direct-contact membrane distillation in Oman

Direct contact membrane distillation (DCMD) process was implemented for treating dairy wastewater (DWW) from an Omani dairy industry. Commercial polytetrafluoroethylene (PTFE) and polypropylene (PP) membranes were tested under different temperatures. The aim of this study in to investigate the potential of pure water production rejecting salts, volatile and non-volatile organic compounds present in DWW. Using laboratory techniques such as gas chromatography, we inspected permeate composition, identifying both volatile and non-volatile organic matter. Comprehensive characterization of membrane surface properties via Fourier-transform Infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and Thermal Gravimetric analysis (TGA) provided critical insights. Findings revealed the denaturation of proteins at 60 °C, leading to significant pore blockage and a consequential 50.3 % reduction in flux. Impressively, the membranes achieved rejection rates of 89–99 % for non-volatile organic matter, while completely rejecting D-limonene. However, traces of volatile fatty acids were detected in the permeate. Elemental analysis exposed the presence of various dairy-derived elements at the membrane surface. FTIR peaks highlighted distinct functional groups of dairy components, while TGA affirmed the accumulation of dairy aggregates with rising temperature. These findings underscore membrane distillation's competence in dairy wastewater treatment, presenting a compelling case for its widespread application in environmental remediation endeavors.

UPLC-ESI MS/MS- and GC-MS-Based Altitudinal Variations in the Bioactive Potential of Mikania micranthaand Ageratum houstonianum.

Traditional medicinal plants have attracted scientific interest due to their bioactive compounds, and the levels of their constituents vary with location and altitude. The present study was designed to evaluate the pharmacological potential of two selected traditional medicinal plants, Mikania micrantha and Ageratum houstonianum collected from two sites, Murlen National Park (MNP) and Dampa Tiger Reserve (DTR), located at different altitudes. Both plant species are used by local traditional healers in Mizoram, Northeast India, to treat various health problems. We hypothesized that altitudinal variation would affect these plants' chemical composition and bioactive potential. Plant extracts were evaluated for antioxidant and cytotoxic activities. The results show that the plants located at a higher altitude, i.e., MNP, showed higher TPC (615.7 ± 0.58 and 453.80 ± 0.95µg gallic acid equivalents/mg of plant extract dry weight (µg GAE/mg) for M. micrantha and A.houstonianum , respectively) and TFC (135.4 ± 0.46 and 120.66 ± 1.93µg quercetin equivalents/mg of plant extract dry weight (µg GE/mg) for M. micrantha and A. houstonianum, respectively). The extract of A. houstonianum. (MNP) exhibited significantly greater antioxidant activity against ABTS radicals (IC50 241.6µg/mL) as compared to the extract of A. houstonianum (DTR) (IC50 371.2µg/mL). The composition of the bioactive compounds present in the plants was determined using UPLC-ESI MS/MS and GC/MS, which detected five and ten compounds in the A. houstonianum and M. micrantha extracts, respectively. Plant species collected from the Murlen National Park site had high bioactivity potential and contained several bioactive compounds. A distinct variation between the volatile and non-volatile compounds was revealed. The collective data in this study show the influence of altitude on the biological compound production of selected medicinal plants. The findings will be utilized in the plant material needed for developing bioactive formulations.

Profiling of Phytochemicals in the Leaves of Asystasia gangetica (L) T. Anderson using GC-MS and HPLC Analysis

Asystasia gangetica is a perennial herb that has naturalized in Africa and Asia, where it is use in treatment of varying ailments such as lowering of blood sugar, sexually transmitted infections, reduce swelling and ear disease. The presence of phytochemicals in this plant may be responsible for its acclaimed effects. This study aims to identify the phytoconstituents in the leaves of Asystasia gangetica. Preliminary phytochemical screening was achieved by standard methods, GC-MS and HPLC analyses were utilized to determine volatile and non-volatile compounds. Phytochemicals identified include alkaloids, tannins, steroids, saponins, flavonoids, and glycosides. GC-MS analysis identified twenty-eight compounds with Z-(13,14-Epoxy)tetradec-11-en-1-olacetate (8.72 %); Octadecane, 1-(ethenyloxy)- (8.77 %); Cycloheptano[d]imidazolidine, 1,3- (9.81 %); cis-Vaccenic acid (10.20 %); 15-Hydroxypentadecanoic acid (11.94 %) as the prominent compounds and HPLC evaluation reported the most prominent compounds such as proanthocyanidin (6.69 %), flavone (7.51 %), spartein (7.64 %), aphylidine (10.33 %) and cyanogenic glycoside (10.51 %) respectively. Identification of these compounds with documented evidence of pharmacological activities, thus validate the use of Asystasia gangetica, in many disease conditions.

Exploration of the flavor diversity of oolong teas: A comprehensive analysis using metabolomics, quantification techniques, and sensory evaluation

The taste profile of oolong tea is intricately shaped by origins and roasting. Herein, a comprehensive approach integrating non-targeted metabolomics, quantitative analysis and sensory evaluations was employed to analyze the taste profile of oolong tea. 25 selected representative oolong teas, including Southern Fujian (MN), Northern Fujian (MB), and Taiwan (TW), were meticulously were classified into SX-RG-DD, GS, and TGY based on the chemical taste phenotypes. A total of 314 non-volatile compounds were identified, among which 87 and 77 compounds, including catechin, theaflavins, flavonoids and amino acids were screened as critical taste metabolites responsible for regions and roasting degree, respectively. The reduction of bitter and astringent, coupled with the enhancement of umami, sweet and sweet aftertaste exhibited a correlation with the decrease in (−)-epigallocatechin (EGC), (−)-epicatechin (EC), (−)-epicatechin gallate (ECG) and (−)-epigallocatechin gallate (EGCG), while the increase in catechin (C). These findings provide insights for further research on optimizing tea quality and refining processing techniques.

Mechanisms of single and mixed microbial fermentation to improve summer-autumn green tea

To investigate the effect of individual and collaborative fermentation on summer-autumn green tea (SAGT) quality. Liquid fermentation with individual inoculation of Aspergillus cristatus (ACFT), Aspergillus niger (ANFT) and mixed inoculation of A. cristatus/A. niger (MFT), respectively, with SAGT extracts (CT) as raw materials. The volatile organic compounds (VOCs), characteristic non-volatile compounds and sensory evaluation of tea samples were determined. The results showed a significant decrease in the content of tea polyphenols, carbohydrates and nongalloylated catechins (C, EC) and a significant increase in the amount of VOCs in MFT compared to ANFT and ACFT. The results of metabolic pathway analysis and sensory evaluation showed that ACFT went through the terpene and phenylpropanoic acid metabolic pathway, which produced large amounts of α-terpineol, phenethyl alcohol, and methyl salicylate, which in turn conferred ACFT with distinctly sweet, floral, and herbal aroma. ANFT produces large amounts of linalool oxides I and II, mainly through the linalool oxide metabolic pathway, making ANFT a distinctive aged and woody aroma. MFT may be due to the strong woody aroma of linalool oxides masking other weaker and better aromas, thus giving MFT a significant woody, herbal and stale aroma. This study provides new insights and a theoretical basis for mixed fungal fermentation to improve the quality of SAGT.

Study on the quality difference between raw and ginger juice processed Magnoliae officinalis cortex by UPLC-Q-TOF-MS/MS and GC-MS coupled with color measurement.

Magnoliae officinalis cortex (MOC) has been used for thousands of years as a traditional Chinese herb. In Chinese Pharmacopoeia (2020 edition), it has two types of decoction pieces, raw Magnoliae officinalis cortex (RMOC) and ginger juice processed Magnoliae officinalis cortex (GMOC). The quality difference between RMOC and GMOC has not been explored systemically. This study aimed to discover the quality difference between RMOC and GMOC, and clarify the effect of ginger juice during processing comprehensively. Ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS/MS) and gas chromatography-mass spectrometry (GC-MS) were applied to study the non-volatile and volatile components of RMOC and GMOC; electronic eye was applied for color measurement. Meanwhile, water processed Magnoliae officinalis cortex (WMOC) was studied as the blank sample. There were 155 non-volatile and 72 volatile substances identified. Between RMOC and GMOC, 29 distinctive non-volatile and 34 distinctive volatile compounds were detected, among which 23 new compounds appeared and five compounds disappeared due to the addition of ginger juice during processing. The intensities of 12 common non-volatile compounds and the relative percentage contents of four common volatile compounds showed significant differences between RMOC and GMOC. In color measurement of RMOC, GMOC, and WMOC, 14 common compounds with significant differences were discovered related to their color values, and their mathematical prediction functions were built. There were significant differences between RMOC and GMOC; the processing mechanism of GMOC would be carried out based on the differential compounds in further investigation.

Comparative evaluation of sensory and instrumental flavor profiles of four edible microalgae: Spirulina platensis, Chlorella pyrenoidosa, Chlamydomonas reinhardtii, and Haematococcus pluvialis

Microalgae sensory features are an important parameter to consider in food applications. The current study comparatively evaluated the flavor profiles of four commercial edible microalgae species, i.e., Spirulina platensis, Chlorella proteinosa, Chlamydomonas reinhardtii, and Haematococcus pluvialis through sensory evaluation by a trained expert panel (n = 15) and chemical profiling of flavor compounds, with multivariate statistical methods used to correlate descriptive taste and odor analysis with non-volatile and volatile compounds. S. platensis displayed characteristic salty and umami tastes arising from inorganic ions and 5′-nucleotides, respectively, as well as “muddy” and “floral” odor attributes mainly associated with sulfur compounds and ketones. C. proteinosa and C. reinhardtii shared the taste attributes of sweetness and bitterness mainly contributed by free amino acids, as well as the odor attributes of “seaweed” and “mushroom” in association with aldehydes and alcohols. H. pluvialis had a typical sour taste owning to the presence of abundant organic acids, and smelled “fatty”, “phenolic”, “licorice”, and “fruity” due to aromatic ester and phenolic compounds. Overall, our results provide fundamental insights into the sensory features of common edible microalgae to guide future food applications.

A strategy to distinguish similar traditional Chinese medicines by liquid chromatography-mass spectrometry, electronic senses, and gas chromatography-ion mobility spectrometry: Marsdeniae tenacissimae Caulis and Paederiae scandens Caulis as examples.

Marsdeniae tenacissimae Caulis (MTC), a popular traditional Chinese medicine, has been widely used in the treatment of tumor diseases. Paederiae scandens Caulis (PSC), which is similar in appearance to MTC, is a common counterfeit product. It is difficult for traditional methods to effectively distinguish between MTC and PSC. Therefore, there is an urgent need for a rapid and accurate method to identify MTC and PSC. The aim is to distinguish between MTC and PSC by analyzing the differences in nonvolatile organic compounds (NVOCs), taste, odor, and volatile organic compounds (VOCs). Liquid chromatography-mass spectrometry (LC-MS) was utilized to analyze the NVOCs of MTC and PSC. Electronic tongue (E-tongue) and electronic nose (E-nose) were used to analyze their taste and odor respectively. Gas chromatography-ion mobility spectrometry (GC-IMS) was applied to analyze VOCs. Finally, multivariate statistical analyses were conducted to further investigate the differences between MTC and PSC, including principal component analysis, orthogonal partial least squares discriminant analysis, discriminant factor analysis, and soft independent modeling of class analysis. The results of this study indicate that the integrated strategy of LC-MS, E-tongue, E-nose, GC-IMS, and multivariate statistical analysis can be effectively applied to distinguish between MTC and PSC. Using LC-MS, 25 NVOCs were identified in MTC, while 18 NVOCs were identified in PSC. The major compounds in MTC are steroids, while the major compounds in PSC are iridoid glycosides. Similarly, the distinct taste difference between MTC and PSC was precisely revealed by the E-tongue. Specifically, the pronounced bitterness in PSC was proven to stem from iridoid glycosides, whereas the bitterness evident in MTC was intimately tied to steroids. The E-nose detected eight odor components in MTC and six in PSC, respectively. The subsequent statistical analysis uncovered notable differences in their odor profiles. GC-IMS provided a visual representation of the differences in VOCs between MTC and PSC. The results indicated a relatively high relative content of 82 VOCs in MTC, contrasted with 32 VOCs exhibiting a similarly high relative content in PSC. In this study, for the first time, the combined use of LC-MS, E-tongue, E-nose, GC-IMS, and multivariate statistical analysis has proven to be an effective method for distinguishing between MTC and PSC from multiple perspectives. This approach provides a valuable reference for the identification of other visually similar traditional Chinese medicines.

Flavor Perception and Formation Mechanism of Empty Cup Aroma in Soy Sauce Aroma Type Baijiu.

The research focused on the distinctive empty cup aroma, with the aim of identifying the key aroma compounds and the formation mechanism of empty cup aroma in soy sauce aroma type baijiu (SSB). The lasting times of SSB is significantly longer than that of other types of baijiu, with an average duration of 28 days. Key compounds such as 2,3-dimethyl-5-ethylpyrazine, phenylethyl alcohol, p-cresol, sotolon, benzeneacetic acid were identified in empty cup aroma due to their highest flavor dilution factor. Molecular dynamics (MD) simulation was performed to study the mechanism of empty cup aroma on the liquid-gas interface and solid-gas interface. The results revealed the existence of hydrogen bonding and van der Waals forces between sotolon and lactic acid, a representative nonvolatile compound, which are speculated to be an important reason for the empty cup aroma.

Furfural analysis of aqueous and oily foodstuffs using a single modified paper for combined headspace extraction, derivatization and paper spray mass spectrometry

Furfurals, including 2-furaldehyde, 5-methylfurfural and 5-hydroxymethylfurfural, widely exist in carbohydrate-rich daily foods, and may have toxic effects on humans. Here, a new headspace extraction-paper spray mass spectrometry (HSPS-MS/MS) method was established for furfural detection, in which the extraction and derivatization of volatiles with pre-loaded derivatization agent on paper tips is combined with paper spray mass spectrometry for detection. By this simple and cheap approach, interference of non-volatile matrix compounds is prevented, and the derivatization agent improves electrospray-type ionization efficiency, thus increasing selectivity and sensitivity. The approach was optimized, by investigating positioning during extraction, extraction duration, derivatization agent, addition of internal standard for quantification and finally validated. For this, the developed method was benchmarked against HPLC-UV and could obtain detections limits of 0.32–0.40 μg mL−1 for 2-furaldehyde, 5-methylfurfural and 5-hydroxymethylfurfural in olive oil. Moreover, fast screening of free furfurals in soy sauce, coffees and teas was demonstrated with the HSPS-MS/MS method.

Spatiotemporal analysis of microstructure, sensory attributes, and full-spectrum metabolomes reveals the relationship between bitterness and nootkatone in Alpinia oxyphylla miquel fruit peel and seeds

The Alpinia oxyphylla fruit (AOF) is a popular condiment and traditional Chinese medicine in Asia, known for its neuroprotective compound nootkatone. However, there has not been a comprehensive study of its flavor or the relationship between sensory and bioactive compounds. To address this issue, we examined AOF’s microstructure, flavor, and metabolomic profiles during fruit maturation. The key markers used to distinguish samples included fruit expansion, testa pigmentation, aril liquefaction, oil cell expansion, peel spiciness, aril sweetness, and seed bitterness. A full-spectrum metabolomic analysis, combining a nontargeted metabolomics approach for volatile compounds and a widely targeted metabolomics approach for nonvolatile compounds, identified 1,448 metabolites, including 1,410 differentially accumulated metabolites (DAMs). Notably, 31 DAMs, including nootkatone, were associated with spicy peel, sweet aril, and bitter seeds. Correlational analysis indicated that bitterness intensity is an easy-to-use biomarker for nootkatone content in seeds. KEGG enrichment analysis linked peel spiciness to phenylpropanoid and capsaicin biosynthesis, seed bitterness to terpenoid (especially nootkatone) biosynthesis, and aril sweetness to starch and sucrose metabolism. This investigation advances the understanding of AOF’s complex flavor chemistry and underlying bioactive principle, encapsulating the essence of the adage: “no bitterness, no intelligence” within the realm of phytochemistry.

Profiling of Organosulfur Compounds in Onions: A Comparative Study between LC-HRMS and DTD-GC-MS

Onions are known not only for their culinary importance but also for their nutritional and health-promoting properties. Both properties are closely linked to their content of organosulfur compounds, which account for up to 5% of the dry weight of an onion. Given the importance of these compounds, suitable analytical methods are required for their study. Two techniques should be highlighted in this context: gas chromatography coupled to mass spectrometry (GC-MS), and liquid chromatography coupled to mass spectrometry (LC-MS). In this study, eight different onion varieties were analyzed using two distinct analytical techniques: direct thermal desorption–gas chromatography–mass spectrometry (DTD-GC-MS) and high-resolution mass spectrometry (HRMS) on an LC-ESI-QqTOF instrument. Each method identified different organosulfur compounds, with LC-HRMS targeting 15 non-volatile compounds, such as cysteine sulfoxides, and GC-MS targeting 18 volatiles, such as disulfides and trisulfides. The results obtained were studied using Pearson correlations and principal component analysis. No precise correlation was found between the initial organosulfur compounds in onions and their hydrolysates. Consequently, although GC is one of the most employed techniques in the scientific literature, the use of LC-HRMS or a combination of both techniques may offer a more comprehensive and accurate description of the metabolomic profile of onions.

Chemical characterization of the hydrophilic fraction of (geo)propolis from brazilian stingless bees

Stingless bees make propolis and geopropolis; the latter is characterized by the presence of small portions of soils besides the usual plant resins. These propolis are consumed by rural and indigenous communities to heal or prevent diseases and have complex chemical composition; then to get a full understanding of their chemicals it is necessary the use of complementary analytical tools. Herein the hydrophilic fraction of 50 samples of Brazilian (geo)propolis (this way referring to either propolis or geopropolis from stingless bees) was derivatised and analysed by GC-MS. Therefore, the presence of semi-volatile and non-volatile compounds belonging to chemical classes such as flavonoids, esters, terpenoids, phenolic compounds, organic acids, phenylpropanoids, fatty acids, fatty acyls, and other lipids was confirmed. Exploratory multivariate analysis indicated that bee species affects the chemical composition of (geo)propolis. It was observed that (geo)propolis from Tetragonisca angustula from the states of Paraná and São Paulo have similar chemical composition suggesting that in both regions this stingless bee have gathered similar vegetal resins to make its (geo)propolis. Alternatively, Melipona quadrifasciata and Melipona marginata have generalist collection patterns as their (geo)propolis show a variable composition depending on the geographical origin.

LC-MS and GC–MS based metabolomics analysis revealed the impact of tea trichomes on the chemical and flavor characteristics of white tea

To explore the influence of tea trichomes on the quality of white tea, liquid chromatography quadrupole time-of-flight mass spectrometry (LC-Q-TOF-MS), and headspace solid phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC–MS) were used to identify non-volatile and volatile compounds white tea without trichomes (WTwt) and pure trichomes (PT). It was found that the bitter and astringent compounds, caffeine (CAF), epigallocatechin gallate (EGCG), epicatechin gallate (ECG) and flavonol glycosides, were mainly enriched in the WTwt, with 16.3-fold, 47.1-fold and 28.7-fold decrease in CAF and EGCG and ECG, respectively, and the content of these compounds in PT were lower than the taste thresholds. In PT, kaempferol-3-O-(p-coumaroyl)-glucoside and kaempferol-3-O-(di-p-coumaroyl)-glucoside were non-volatile marker compounds, and decanal was significant aroma contributor with rOAV = 250.86. Moreover, the compounds in trichomes mainly contributed to the fruity and floral aroma of white tea, among which benzyl alcohol, (E)-geranylacetone, decanal, dodecanal and 6-methyl-5-hepten-2-one were the crucial aroma components, which were 2.1, 1.7, 1.8, 1.4 and 2.2 times as much as the WTwt in the PT, respectively. In conclusion, trichomes can improve the quality of white tea by reducing the bitterness and astringency, increasing the umami, as well as enhancing the fruity and floral aromas.

Comparison of non-volatile compounds of Penaeus vannemei with different drying treatments via multidimensional infrared spectroscopy

To analyze the effect of various drying treatments (microwave drying (MD), hot air drying (HAD), vacuum drying (VD), and vacuum freeze drying (VFD)) on taste compounds in Penaeus vannamei, relevant indicators such as free amino acids, 5′-nucleotides, and organic acids were performed. Multidimensional infrared spectroscopy (MM-IR) results found that there were notable variations in taste properties of P. vannamei. There were 18 autocorrelation peaks in 3400–900 cm−1 were screened using second-derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2DCOS-IR). Variations in functional groups were the major contributors to taste profiles. The TAV of glutamic acid (Glu), guanine (GMP), and inosinemonphosphate (IMP) were greater than one and had notable impacts on taste profiles. VD had the highest equivalent umami value, followed by VFD, HAD, and MD. This study may provide a theoretical guide for the production of dried P. vannamei products on an industrial scale.

Improved physiological responses and stress tolerance in cotton against Fusarium wilt with Trichoderma harzianum treatment

Cotton is a vital cash crop in the agricultural economy. Many abiotic stresses and pathogenic diseases reduce cotton yield, with cotton wilt being a major threat caused by Fusarium oxysporum f.sp. vasinfectum (FOV). In the present study, the antagonistic potential of Trichoderma harzianum, along with its extracted volatile and non-volatile compounds, was evaluated against FOV. In a dual culture assay, T. harzianum showed 71.4% inhibition of FOV. The volatile compounds extracted from T. harzianum showed 54.9% inhibition of FOV, while the non-volatile compounds reduced the growth of F. oxysporum f.sp. vasinfectum by 64.21%. The evaluation of vegetative traits of cotton plants indicated increased biomass when treated with T. harzianum. The activity of antioxidant defense enzymes Catalase activity (CAT), Superoxide dismutase activity (SOD), and Peroxidase activity (POX) was highest in cotton plants treated with both T. harzianum and F. oxysporum f.sp. vasinfectum, indicating an activation of the plant defense mechanisms in response to these treatments. Protein content, Malondialdehyde Content (MDA), proline content, electrolyte leakage, and H2O2 content, which are stress markers, were at their maximum under F. oxysporum f.sp. vasinfectum stress. Physiological features, including stomatal conductance, photosynthesis rate, Soil Plant Analysis Development (SPAD) chlorophyll value, and relative water content, were highest in plants treated with T. harzianum, as T. harzianum improves and boosts plant growth. Hence, T. harzianum is an effective biological control agent against FOV.

Metabolomic profiling of virulent and non-virulent Beauveria bassiana strains: insights into the pathogenicity of Tetranychus truncatus.

In this study, the pathogenicity of local Beauveria bassiana strains was elucidated using molecular and metabolomics methodologies. Molecular verification of the B. bassiana-specific chitinase gene was achieved via phylogenetic analysis of the Bbchit1 region. Subsequent metabolomic analyses employing UPLC-Q-TOF-MS revealed a different number of non-volatile metabolite profiles among the six B. bassiana strains. Bb6 produced the most non-volatile compounds (17) out of a total of 18, followed by Bb15 (16) and Bb12 (15). Similarly, Bb5, Bb8, and Bb21, three non-virulent B. bassiana strains, produced 13, 14, and 14 metabolites, respectively. But unique secondary metabolites like bassianolide and beauvericin, pivotal for virulence and mite management, were exclusively found in the virulent strains (Bb6, Bb12, and Bb15) of B. bassiana. The distinctive non-volatile metabolomic profiles of these strains underscore their pathogenicity against Tetranychus truncatus, suggesting their promise in bio-control applications.

Steam distillation, supercritical fluid extraction, and anti-Trypanosoma cruzi activity of compounds from pink pepper (Schinus terebinthifolius Raddi)

Anti-Trypanosoma cruzi activity of compounds from fruits of Schinus terebinthifolius Raddi (pink pepper) were evaluated, using sustainable techniques such as steam distillation (SD) and supercritical fluid extraction (SFE). SD was optimised using a design of experiment and SFE was carried out using supercritical CO2 solvent (300 bar and 60 °C). Results of the anti-T. cruzi activity showed that the essential oil presented high activity (IC50 = 4.5 ± 0.3 μg/mL), whereas the supercritical extract had a moderate effect (IC50 = 19.7 ± 2.9 μg/mL). The differences in the anti-T. cruzi activity can be attributed to the extraction of non-volatile compounds in the SFE, such as moronic and (Z)-masticadienoic acids. In contrast, SD extracted only volatile compounds such as monoterpenes and sesquiterpenes. Therefore, these results suggest that the volatile compounds from pink pepper are involved with the anti-T. cruzi activity.

Population Pharmacokinetic of the Diterpenes ent-Polyalthic Acid and Dihydro-ent-Agathic Acid from Copaifera Duckei Oil Resin in Rats.

Copaifera duckei oleoresin is a plant product extensively used by the Brazilian population for multiple purposes, such as medicinal and cosmetic. Despite its ethnopharmacological relevance, there is no pharmacokinetic data on this important medicinal plant. Due to this, we determined the pharmacokinetic profile of the major nonvolatile compounds of C. duckei oleoresin. The diterpenes ent-polyalthic acid and dihydro-ent-agathic acid correspond to approximately 40% of the total oleoresin. Quantification was performed using LC-MS/MS, and the validated analytical method showed to be precise, accurate, robust, reliable, and linear between 0.57 and 114.74 µg/mL plasma and 0.09 to 18.85 µg/mL plasma, respectively, for ent-polyalthic acid and dihydro-ent-agathic acid, making it suitable for application in preclinical pharmacokinetic studies. Wistar rats received a single 200 mg/kg oral dose (gavage) of C. duckei oleoresin, and blood was collected from their caudal vein through 48 h. Population pharmacokinetics analysis of ent-polyalthic and dihydro-ent-agathic acids in rats was evaluated using nonlinear mixed-effects modeling conducted in NONMEN software. The pharmacokinetic parameters of ent-polyalthic acid were absorption constant rate = 0.47 h-1, central and peripheral apparent volume of distribution = 0.04 L and 2.48 L, respectively, apparent clearance = 0.15 L/h, and elimination half-life = 11.60 h. For dihydro-ent-agathic acid, absorption constant rate = 0.28 h-1, central and peripheral apparent volume of distribution = 0.01 L and 0.18 L, respectively, apparent clearance = 0.04 L/h, and elimination half-life = 3.49 h. The apparent clearance, central apparent volume of distribution, and peripheral apparent volume of distribution of ent-polyalthic acid were approximately 3.75, 4.00-, and 13.78-folds higher than those of dihydro-ent-agathic.

The composition and flavor change mechanism of membrane-filtered sugarcane syrup during the acid hydrolysis process based on 1H NMR and GC–IMS

Nuclear magnetic resonance (NMR) spectroscopy and gas chromatography-ion mobility spectrometry (GC-IMS) were employed to comprehensively characterize both non-volatile and volatile components present in membrane-filtrated sugarcane syrup (MS). A total of 19 non-volatile compounds and 65 volatile compounds were successfully identified within the MS sample. Among the volatile compounds, 12 were determined to be key aroma contributors based on their Relative Odor Activity Values (ROAV). Our investigation elucidated that hydrolysis and Maillard reactions serve as the primary pathways during acid hydrolysis, with reaction kinetics strengthened by increasing heating temperature and citric acid concentration, thereby enhancing the caramel and roasted aromas of MS. These findings not only contribute to a deeper understanding of the composition of sugarcane syrup but also offer valuable insights into flavor characterization and quality control within the sugarcane industry. Furthermore, this research lays a foundation for future studies aimed at optimizing processing techniques to enhance syrup flavor and overall product quality.