Ethyl Acetate Research Articles

Impact of microbial biotransformation on Zygophyllum decumbens delile through comparative metabolic insights and evaluation of antihyperglycemic and antimicrobial activities

Zygophyllum is known to be used traditionally in the management of several medical conditions, including diabetes, infections, and hypertension. This study aims to monitor the effect of microbial biotransformation on both antihyperglycemic and antimicrobial activities of Zygophyllum decumbens Delile using Aspergillus niger. The metabolic profile before and after biotransformation of the ethyl acetate extract was compared using HPLC-ESI-TOF-MS/MS. Pancreatic lipase, α-amylase, and α-glucosidase in vitro inhibition assays and agar diffusion method were used to evaluate the antihyperglycemic and antimicrobial activities, respectively. Eighty-six metabolites, mainly flavonoids and phenolic acids, with a few miscellaneous metabolites, were tentatively identified in both tested extracts. A 36% potentiation in antihyperglycemic activity was observed following microbial biotransformation. Regarding antimicrobial activity, the minimum inhibitory concentration (MIC) against both E. coli and P. aeruginosa decreased from 0.62 to 0.31 mg/ml, representing a nearly 50% reduction. It was noticed that microbial biotransformation altered 27 of the identified metabolites, which may contribute to the enhanced biological activities detected. The study depicts the first report of metabolic profiles and biological differences of Z. decumbens before and after biotransformation. It also validates the traditional use of Z. decumbens for hyperglycemia and its potential as a natural antimicrobial source.

Evaluation of antioxidant activity of chicken polypore Laetiporus sulphureus (Bull.) Murrill

ABSTRACT Humans have been consuming mushrooms for food and medicine since prehistoric times. They provide nutritional and therapeutic benefits and are categorised as nutraceuticals because of their antioxidant, anticancer and antibacterial properties. Mushroom antioxidant capabilities and potential health benefits have sparked widespread interest in terms of ensuring human nutrition, public health, and food security. The mycelium and fermentation broth were extracted using dichloromethane, ethyl acetate and methanol by the submerged culture method. The study specifically focused on evaluating the antioxidant properties of different extracts (dichloromethane, ethyl acetate, and methanol) of Laetiporus sulphureus by DPPH (2, 2-diphenyl-1-picrylhydrazyl) radical scavenging activity and ABTS (2, 2-azino-bis-3-ethylbenzothiazoline-6-sulphonic acid) radical scavenging methods. At 200–1000 µg/mL, the dichloromethane, ethyl acetate and methanolic extracts of fungal mycelium exhibited ABTS radical scavenging activity of 40.2–53.98%, 40.8–51.08% and 40.34–52.0%, respectively. Similarly, the dichloromethane and ethyl acetate extracts of the fermentation broth showed slightly elevated ABTS scavenging activity of 41.4–53.61% and 42.18–54.35%, respectively. For DPPH radical scavenging, the mycelium extracts demonstrated inhibition percentages of 56.63–67.63% (dichloromethane), 58.4–66.11% (ethyl acetate), and 60.8–70.16% (methanol), while the fermentation broth extracts showed slightly higher activity, with 65.48–70.29% (dichloromethane) and 65.73–69.78% (ethyl acetate). The half-maximal inhibitory concentration (IC50) values for ABTS scavenging were 596.9 µg/mL (dichloromethane), 579.7 µg/mL (ethyl acetate), and 602.0 µg/mL (methanol) for mycelium extracts, and 669.7 µg/mL (dichloromethane) and 774.7 µg/mL (ethyl acetate) for fermentation broth extracts. For DPPH scavenging activity, the IC50 values were 665.6 µg/mL (dichloromethane), 707.6 µg/mL (ethyl acetate), and 690.9 µg/mL (methanol) for mycelium extracts, and 431.2 µg/mL (dichloromethane) and 468.9 µg/mL (ethyl acetate) for fermentation broth extracts. These results highlight moderate to strong antioxidant potential of L. sulphureus, supporting its use in functional foods and nutraceuticals.

Extraction, analysis, and antifungal activity study of algae antibiotic active substances in plateau lakes.

This study was carried out to assess the inhibitory activity of algae in plateau lakes against plant pathogenic fungi, and further conduct preliminary research and analysis on their antifungal active ingredients, in order to provide a certain basis for the development and utilization of algal secondary metabolite as anti-plant pathogenic fungal agents. Different solvent extraction methods using water, ethyl acetate, ethanol, and methanol were conducted to extract polyphenol metabolites from Ulothrix, Chlorella vulgaris, and Microcystis pseudofilamentosa Crow. The composition of the extracts was analyzed based on the UPLC-MS/MS detection platform, and the antifungal activity was determined. The results showed that the content of polyphenol metabolites extracted from Ulothrix using methanol was the highest, followed by ethyl acetate and ethanol. The water extraction method resulted in the highest loss of polyphenolic metabolites. Three species of Fusarium oxysporum were used as indicator fungus to determine the antifungal activities of algae extracts. The three types of algae extracts showed good antimicrobial effects on F. oxysporum. The polyphenol metabolites extracted from Ulothrix using methanol demonstrated the strongest antifungal activity, with up to 20 mm in diameter of inhibition zone. The metabolite with the weakest antifungal activity was M. pseudofilamentosa Crow, with an 8-mm diameter of inhibition zone. Based on the UPLC-MS/MS detection, 242 polyphenol metabolites were initially identified in the methanol extracts of the three algae, including 160 phenolic acids, 32 flavonoids, 17 flavonols, 7 dihydroflavones, 2 dihydroflavonols, 2 chalcones, 2 flavanols, 5 flavonoids, 5 lignans, and 10 coumarins. Principal component analysis, fold change analysis, and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis were used to conduct differential metabolite screening and related metabolic pathway enrichment. The methanol extract samples of the three algae were mainly classified into two categories. Ten important differential metabolites and 15 important metabolic pathways were obtained. In addition, the methanol extracts of Ulothrix contained the largest variety of phenolic acid compounds, with a total of 75 phenolic acid compounds detected, which was followed by C. vulgaris, with 44 phenolic acid compounds detected, and M. pseudofilamentosa Crow, with 37 phenolic acid compounds. Compared with phenolic acid compounds, the quantitative differences of other polyphenols were smaller. Based on these results and those from the antifungal experimental analysis, phenolic acids in algae polyphenol metabolites are the main antifungal active ingredients.

Secondary Metabolites Isolation from Endophytic Fungi Diaporthe Arecae and Colletotrichum Gloeosporioides Isolated from Syzygium Cumini Linn

This study reports some secondary metabolites produced from Diaporthe arecae and Colletotrichum gloeosporioides. These endophytic fungi were isolated from Syzygium cumini Linn plant. The fungal strains were identified based on morphological characteristics and DNA sequence analysis. They were isolated from the plant, followed by its small-scale cultivation and extraction with ethyl acetate. Secondary metabolites from the endophytic fungi were isolated through chromatographic separation and recrystallization. The structures of the isolated secondary metabolites were characterized by 1H-NMR, 13C-NMR, and DEPT-135 spectroscopic data. Column chromatographic treatment of the crude ethyl acetate extract of Diaporthe arecae with solvents of different polarity yielded the compound 1 (6.5 mg) and compound 2 (4.7 mg) respectively. In contrast, the crude extract of Colletotrichum gloeosporioides yielded the compound 3 (2 mg) after treatment with solvents of different polarity. Spectroscopic characterization revealed compound 1 as Ergosterol, compound 2 as 3-(3’-(3”-(3”’-acetoxypropanoyloxy) propanoyloxy) propanoyloxy) propanoic acid and compound 3 as a mixture of ergosterol and 4-methoxy phenol, respectively. The isolation of these compounds implies that endophytic fungi from Syzygium cumini may be a prominent source for the discovery of potential bioactive compounds or lead structures for new drug development.

Immature Citrus unshiu fruit extracts inhibit adipogenesis in 3T3-L1 adipocytes via AMPK and MAPK signaling pathways.

In Korea, immature citrus fruits have been extensively explored for their potential utility as functional bio-health materials owing to their various bioactive properties. However, the specific mechanisms by which they exert inhibitory effects on adipogenesis remain unclear. Therefore, this study aimed to examine the anti-obesity effects of 70% ethanol extracts of immature Citrus unshiu fruits and their solvent fractions (n-hexane, ethyl acetate, n-butanol, and water) on 3T3-L1 cells, as well as to explore the underlying molecular mechanisms. Additionally, this study was conducted to identify the bioactive components responsible for the anti-obesity effects. Among the fractions, the hexane fraction exhibited the most potent inhibitory effect on lipid accumulation in 3T3-L1 cells without inducing cytotoxicity. Notably, this effect was concentration-dependent. This fraction also inhibited adipogenesis during the differentiation of 3T3-L1 preadipocytes by downregulating the expression of CCAAT/enhancer-binding proteins (C/EBP), peroxisome proliferator-activated receptor-γ (PPARγ), sterol regulatory element-binding protein (SREBP), fatty acid synthase (FAS), and fatty acid binding protein 4 (FABP4). Moreover, the hexane fraction modulated the activity of AMP-activated protein kinase (AMPK) and mitogen-activated protein kinase (MAPK), both of which play critical roles in lipid metabolism. Specifically, it induced AMPK activation while downregulating MAPK signaling. Phytochemical analysis identified phytol, hexatriacontane, tangeretin, and nobiletin as the main bioactive components responsible for the observed anti-obesity effects of ICE. Overall, our results revealed that ICE exhibited notable anti-obesity activity by targeting the AMPK and MAPK signaling pathways, highlighting its potential as a natural therapeutic agent for obesity management.

Isolation and characterization of a bioactive compound from Sphingomonas sanguinis DM with cytotoxic and molecular docking analysis

Datura metel, a common plant in the Solanaceae family, is known for its valuable medicinal properties. The metabolites created by its rhizosphere bacterium, Sphingomonas sanguinis DM, have garnered interest for their potential biological effects. This study will discuss the steps involved in fermenting and processing a bacterial strain to extract potent secondary metabolites. The ethyl acetate extract of the propagated strain was subjected to fractionation and purification through various chromatographic techniques. The purified compound was characterized through multiple spectroscopic methods for structure elucidation, including UV, MS, 1D, and 2D-NMR. Its cytotoxic activity was assessed on malignant skin cells (A-431) using the MTT test compared with normal melanocytes (HFB 4). Furthermore, A-431 cells were double-stained with PI and annexin V-FITC and analyzed by flow cytometry to detect Apoptosis. Molecular investigations include PCR screening to detect genes related to the biosynthesis of bioactive metabolites, such as NRPS and lipopeptide ItuD genes. A prospective effective strategy to overcome tumor plasticity in melanoma is to target the Wnt signaling pathways. Molecular docking studies were conducted in the different proteins (Fz4-CRD, LRP6, GSK3β) of the Wnt signaling pathway and Protein Kinase B/Akt for the isolated compound to investigate the possible pathway to inhibit melanoma. Sphingomonas sanguinis DM produced bis (2-methylheptyl) benzene-1,4-dicarboxylate isolated for the first time from a natural source. It was cytotoxic against the A-431 human skin carcinoma cell line (IC50 = 191.61 µg/mL) but less effective against HFB 4 human normal melanocytes (IC50 = 416.23 µg/mL; selectivity index = 2.17). The A-431 cells showed a significant increase in early Apoptosis and a moderate rise in late Apoptosis. PCR amplification confirmed genes encoding A domain and Iturin A. Bacterial sequences are available in NCBI GenBank with accession codes OR597597 and OR597598. Consequently, Sphingomonas sanguinis DM synthesized a cytotoxic natural terephthalate diester derivative, along with the host specificity of the strain.

Assessment of Antimicrobial Activity and Safety of Pediococcus pentosaceus Isolated from Ginseng as a Functional Cosmetic Ingredient

Lactic acid bacteria (LAB) are gaining increasing attention as functional ingredients in the cosmetic industry, particularly those derived from natural plant sources. Although various LAB strains have been widely applied in cosmetic formulations, studies investigating the effects of naturally derived LAB on the skin remain limited. In this study, we isolated an LAB strain from ginseng and evaluated its potential as a functional cosmetic ingredient. The antimicrobial activity of the strain was assessed against skin-associated pathogens Staphylococcus aureus and Staphylococcus epidermidis, while cytotoxicity was evaluated using HaCaT and Caco-2 cells. Considering the limitations of vertebrate animal testing, infection and survival assays were conducted using Galleria mellonella larvae as an alternative in vivo model. The ginseng-derived strain exhibited 99.93% similarity to Pediococcus pentosaceus and was designated P. pentosaceus THG-219. It exhibited an MIC of 0.625 mg/mL and 1.25 mg/mL against S. aureus KCTC 3881 and S. epidermidis KCTC 1917, respectively. Its antimicrobial activity was further enhanced following ethyl acetate fractionation. P. pentosaceus THG-219 showed no toxicity in G. mellonella larvae and exerted antibacterial effects in this model. No cytotoxicity was observed in HaCaT and Caco-2 cells. Furthermore, P. pentosaceus THG-219 promoted host cell adhesion while inhibiting pathogen adhesion. It also exhibited excellent acid, bile, and heat tolerance, suggesting strong survivability under harsh conditions. Collectively, these results indicate that P. pentosaceus THG-219, isolated from ginseng, is a promising, safe, and stable candidate for development as a functional cosmetic ingredient.

In vitro investigation of Mangifera indica L. peel extracts: antibacterial, antioxidant, and docking studies

Marketers of antioxidants and antimicrobials view fruit peels as a special, readily available, reasonably priced, natural, eco-friendly, and lucrative source. Mangos (Mangifera indica L.) and their byproduct peels and kernels are nutrient-dense, distinctive, affordable, efficient, natural, and environmentally friendly sources of antibacterial agents, antioxidants, and other active chemicals. The current study aimed to prepare extracts of different degrees of polarity from mango peels, detect their active phytochemical compounds, and study their effects as antioxidants, antibacterials against food-borne pathogens, anti-biofilms, and anti-colon cancer in vitro. Phytochemical classes of compounds were screened using different standard methods. The most promising profile was for mango peel ethyl acetate extract (MPEE) due to the presence of a variety of phytochemicals including tannin, coumarin, alkaloids, flavonoids, phenols, steroids, and terpenoids at high concentrations compared to other mango peel extracts. Therefore, it was selected as the most valuable extract to examine its anti-colon cancer impact, anti-foodborne pathogenic bacteria, and antibiofilm. The anti-foodborne pathogenic activity of MPEE was evaluated against Enterococcus faecalis ATCC 7080, Staphylococcus aureus ATCC 5638, Salmonella typhi DSM17058, Bacillus cereus ATCC 11778, Shigella sonnei DSM 5570, and Escherichia coli ATCC 8739 that showed highly impact for all. At MIC and MBC values of 500 μg/ml, the MPEE had a 100% bactericidal spectrum; at lower concentrations of 125–250 µg/ml, no antibacterial action was seen. The MPEE had a biofilm inhibition percentage ranging between 98.75–53.33%; B. cereus had the highest percentage and S. sonnei had the lowest. Furthermore, The MPEE demonstrated an anticancer activity against human colon epithelium ATB-37 (Caco2) with an IC50 of 430.36 µg/ml. Molecular docking modeling assessment illustrated top-ranked confirmations between major phytochemicals and target protein COX2: P00406 and NFKB: Q63369.

Bioactivity and chemical screening of endophytic fungi associated with seaweeds Gracilaria sp. and Sargassum sp. of the Bay of Bengal, Bangladesh

This study explored the great potential of endophytic fungi associated with red seaweed Gracilaria sp. and brown seaweed Sargassum sp. of the Bay of Bengal, Bangladesh, for the first time. Endophytic fungi were identified taxonomically by morphological features and molecular characterisation (ITS sequence). The identification of six fungal isolates revealed five different fungal species belonging to four genera, namely, Aspergillus subversicolor, A. terreus and Cladosporium halotolerans isolated from Gracilaria sp. and Chaetomium globosum, A. terreus and Curvularia perotidis isolated from Sargassum sp. The ethyl acetate extracts of fungal endophytes were evaluated for antimicrobial activity, DPPH radical scavenging activity, and brine shrimp lethality bioassay. Amongst all the fungal extracts evaluated in this study, four showed mild to moderate inhibitory activity (10–14 mm) against the tested bacterial strains. Exceptionally, Chaetomium globosum exerted significant antibacterial activity with the highest zone of inhibition (21 ± 0.3 mm) against the Gram-negative bacterial strain Pseudomonas aeruginosa and also showed moderate antifungal activity (13 ± 0.9 mm) against A. niger. Sargassum sp.-derived A. terreus exhibited the strongest DPPH radical scavenging activity (IC50 value of 7.88 ± 0.09 µg/mL). All the fungal extracts have significant lethality against brine shrimp nauplii (LC50 value of ≤ 20.39 ± 4.04 µg/mL), while Curvularia perotidis and Cladosporium halotolerans were the most effective (LC50 values of 9.30 ± 2.96 µg/mL and 9.94 ± 3.49 µg/mL, respectively). Gas chromatography-mass spectrometry (GC-MS) analysis of the crude extracts identified the presence of several chemical compounds. These bioactive chemical constituents might contribute to the exhibited bioactivity in this study. The current study’s findings support the beneficial impacts of the fungal endophytes on exerting biological activities and consequently as valuable resources of bioactive compounds.

Life Cycle Assessment of Decaffeinated Coffee Beans Production

Life Cycle Assessment (LCA) analysis was conducted on the simulation of the production process of decaffeinated coffee beans using ethyl acetate (EA) and dichloromethane (DCM) solvents. The methods employed include the cradle-to-gate system, the ReCiPe 2016 midpoint method, and a hierarchic perspective on OpenLCA. The analysis used 320 kg of Robusta coffee beans per batch with the scope of analysis consisting of planting, postharvest, transportation, and decaffeination. The overall results of the hotspot analysis were human carcinogenic toxicity, marine ecotoxicity, global warming, freshwater ecotoxicity, and land use of 8 x 101 kg 1,4-dichlorobenzene eq, 1 x 101 kg 1,4-dichlorobenzene eq, 6 x 104 kg CO2 eq, 7 x 100 kg 1,4-dichlorobenzene eq, and 3 x 104 m2a crop eq for both EA and DCM. Comparison of the two solvents shows that the biggest environmental impacts were marine ecotoxicity, freshwater ecotoxicity, and human carcinogenic toxicity of 8.52 x 100 kg 1,4-dichlorobenzene eq, 5.44 x 100 kg 1,4-dichlorobenzene eq, 7.65 x 100 kg 1,4-dichlorobenzene eq for EA, and 8.52 x 100 kg 1,4-dichlorobenzene eq, 5.61 x 100 kg 1,4-dichlorobenzene eq, 8.03 x 100 kg 1,4-dichlorobenzene eq for DCM. Cultivation, extraction, and drying were the stages of considerable environmental impact. The application of agroforestry, reduction of inorganic and organic fertilizers, and the use of more environmentally friendly electricity sources serve as alternatives to reduce emissions.

Antimicrobial activity of fomitoid fungi extracts growing in the territory of the Republic Of Belarus

Material and methods. To obtain tinder fungi extracts, remaceration and fractionation with solvents of increasing polarity in a Soxhlet apparatus were used, the sum of phenolic, steroid and triterpene compounds was determined by photometric methods, and the antimicrobial activity against test microorganisms was assessed by the diffusion-well method. Results. It was shown that P. betulinus extracts demonstrate an effect comparable to antibiotics against S. aureus, B. subtilis and S. marcescens. F. pinicola extracts showed moderate activity against S. aureus and Ps. aeruginosa. Fractionation of extracts by polarity revealed the predominance of triterpene compounds in non-polar fractions, with their greatest amount found in P. betulinus extracts. Phenolic compounds accumulate mainly in ethyl acetate and alcohol fractions, with a particularly high content in Ph. igniarius and F. fomentarius extracts. The results of antimicrobial screening of fractionated extracts confirmed the leading role of lipophilic components in the antimicrobial activity of tinder fungi: non-polar fractions (PE, CHCl3 and EA) demonstrated higher levels of antimicrobial activity. Conclusions. The results highlight the prospects of studying lipophilic compounds of fomitoid fungi as potential sources of natural antimicrobial agents. The prospects of the study are aimed at isolating and characterizing active compounds, determining the mechanism of their action and the possibility of their use in medicine. Key words: antimicrobial activity, triterpene and steroid compounds, phenolic compounds, fomitoid fungi. Conflict of interest: nothing to disclose.

A simple, sensitive method for the simultaneous determination of cotinine and trans-3´-hydroxycotinine in human serum by LC-MS/MS

A simple and sensitive liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed and validated for the simultaneous determination of cotinine and its metabolite, trans-3´-hydroxycotinine, in human serum. Liquid–liquid extraction (LLE) using dichloromethane (DCM) and ethyl acetate (ETAC) (4:1 v/v) was employed for serum sample extractions. Chromatographic separation was achieved on an Agilent Eclipse Plus Phenyl-Hexyl column (4.6 mm × 100 mm, 5 µm) with a gradient elution of 0.05% (v/v) formic acid/5 mM ammonium formate (1:1) in water and methanol at an initial flow rate of 1 mL/min. Tandem mass spectrometry detection used positive electrospray ionization (ESI) in multiple reaction monitoring (MRM) mode for the determination of cotinine, trans-3´-hydroxycotinine, and their deuterated internal standards. The limits of detection (LOD) for cotinine and trans-3´-hydroxycotinine were 0.005 and 0.006 ng/mL, respectively. The limit of quantification (LOQ) was 0.025 ng/mL for both analytes. The accuracy ranged from 96.1 to 104.9% for cotinine and 98.9 to 102.9% for trans-3´-hydroxycotinine. The linear range for both metabolites was 0.025–10 ng/mL. Extraction recovery ranged from 100.0 to 106.4% for cotinine and 89.6 to 102.5% for trans-3´-hydroxycotinine, respectively. The intra- and interday precision (% CV) ranged from 0.9 to 8.0% for cotinine and 1 to 9.6% for trans-3´-hydroxycotinine. Neither carryover nor endogenous or exogenous interference was observed. The method was successfully applied to pooled serum samples from a biomonitoring study of pregnant women in Alberta, Canada.

Rapid and high-throughput analysis of 5-hydroxymethylfurfural in honey by MALDI-MS with in-situ tetra (4-aminophenyl)-porphyrin derivatization

5-Hydroxymethylfurfural (HMF), a product of the Maillard reaction and caramelization in honey, serves as a crucial marker of food quality and thermal processing, underscoring the importance of regulatory surveillance for consumer safety. This study introduces a method for rapid, high throughput and eco-friendly detection of HMF, using derivatization in matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS). 5,10,15,20-Tetrakis-(4-aminophenyl)-porphyrin was employed for in-situ derivatization of aldehydes after extraction by ethyl acetate, enhancing detection sensitivity by shifting low-molecular-weight aldehydes to higher regions. The calibration curves for HMF determination exhibited outstanding linearity. The detection limit reached 0.347 mg/kg with good accuracy and precision. Variations in the content of HMF in honey during heating were also assessed, revealing the increased formation of HMF under high temperature and prolonged heating. The method’s proficiency was evidenced through the detection of various aldehydes. This method represents an advance in rapid analysis for food safety, aligning with green chemistry principles.

From crime scene to laboratory: A case study of a comprehensive investigation into an IBX-induced explosion.

An explosion in an industrial filtering unit, resulting in a fatality, triggered a comprehensive forensic investigation. Sixteen pieces of evidentiary materials were collected from the scene of occurrence. The chemical residue at the explosion's origin was identified as 2-IodoxyBenzoic Acid (IBX) using NMR spectroscopy. IBX's shock-sensitive explosive nature became the focal point of the investigation. A comparative analysis, using the confirmed IBX as a reference standard, was conducted to detect its presence in other collected evidentiary materials. As no established methods for IBX analysis were available, novel high-performance thin layer chromatography (HPTLC) and UV-Vis spectroscopic techniques were developed and validated. The optimized HPTLC method, using a 9:1 ethyl acetate and methanol solvent system and UV visualization at 254 nm, provided reliable Rf values for IBX identification. This was further supported by UV-Vis spectroscopy, which confirmed the characteristic absorption patterns of IBX. The investigation successfully linked several evidence items to the explosion through the detection of IBX. This case underscores the complementary role of crime scene investigation and chemical analysis, where meticulous fieldwork combined with innovative laboratory techniques led to the resolution of the case. Furthermore, the development of a validated HPTLC method for IBX provides a valuable tool for future forensic investigations, enhancing the forensic community's capability to address similar incidents.

Extractive distillation of tetrahydrofuran–ethyl acetate–water mixture in schemes including columns with side sections and side draws

Objectives. The work set out to evaluate the energy efficiency of using schemes including columns with side sections and side draws in the extractive distillation of tetrahydrofuran–ethyl acetate–water mixture with dimethyl sulfoxide as an entrainer.Methods. The main research method consisted of a computational experiment with the Aspen Plus v. 12 software package. The local composition UNIQUAC equation model was used for describing vapor–liquid equilibrium. Parametric optimization of initial scheme and schemes, including columns with side sections and side draws, was carried out according to the criterion of energy consumptions in distillation columns reboilers.Results. Two variants ofschemes including partially thermally coupled distillation columns and two variants ofschemes including columns with side draws were synthesized on the basis of the conventional scheme of double extractive distillation consisting of two-withdrawal columns using the graph method. The optimal operating parameters of the conventional scheme and all schemes obtained on its basis were determined. The schemes, including columns with side draw, were modeled in two variants, namely, in the vapor phase with side draw, and in the liquid phase. The energy efficiency of the proposed schemes was evaluated in comparison with the conventional scheme.Conclusions. The phase state of the side draw is shown to have little effect on the total energy consumption in column reboilers, the amount of liquid-phase side draw being 1.4–5.2 times greater than that of vapor-phase draw. Among the schemes including complex columns with a side section, the maximum reduction of energy consumption by 5.9% in relation to the scheme of two-withdrawal columns is provided by the scheme according to which the thermal coupling between the second extractive column and the regeneration column of the entrainer is realized. Thermal coupling of extractive columns provides a significantly lower energy saving (1.36%). Among the schemes including complex columns with side draw, the greatest energy efficiency (5.9%) is characterized by the scheme in which the draw in the vapor phase is taken from the second extractive column to the regeneration column.

GC-MS profiling and computational analysis of Balanites aegyptiaca phytoconstituents for antidiabetic activity: insights from network pharmacology and molecular docking.

This study investigates the antidiabetic potential of the extracts and subsequent phytochemicals of Balanites aegyptiaca (BA). The approaches used were GC-MS for phytochemical characterization, network pharmacology for target identification, in vitro studies, and computational techniques for the antidiabetic activity. Network pharmacology revealed genes-associated disease targets, i.e., IL-6, PPARα, GCG, and GCK, and their signaling pathways that were modulated by the identified phytocompounds. In vitro assays demonstrated substantial antioxidant activity of n-hexane and ethyl acetate extracts and were found to be comparable to ascorbic acid. The anti-inflammatory potential using the egg albumin method was found to be best for n-hexane extract in comparison to aspirin. The in vitro antidiabetic activity using α-amylase inhibition method was most pronounced in the methanol extract and was found to be comparable to acarbose. Molecular docking and molecular dynamics simulations (100ns) identified stable interactions between BA-derived compounds and target proteins. In silico pharmacokinetic investigations revealed that the heptadecanoic acid and ragaglitazar exhibited the LD50 of 900 and 1600mg/kg, vouching for the substantial safety. Molecular dynamics simulations confirmed the greater stability of protein-ligand complexes and also inferred about the possible ligand-protein interactions. The BA phytocompounds inherit huge potential in the management of diabetes, with promising antioxidant, anti-inflammatory, and antidiabetic effects.

Exploring Antibacterial, Antioxidant, Cytotoxic Potential of Oscillatoria sp.-Derived Metabolites and Their Molecular Docking with Estrogen Receptor-α.

Anthropogenic activities have led to the accumulation of carcinogenic toxicants in the food chain, posing severe risks to both human and animal health. Bioactive molecules derived from terrestrial and aquatic systems offer promising solutions to various health challenges. Presently, the cyanobacterial metabolites from ethyl acetate extract of Oscillatoria sp. (EAEOs) were evaluated for its antiproliferative, antioxidant, and antimicrobial effects. The EAEOs resulted significant antibacterial zones (12 ± 2.5, 17 ± 1.7, 14 ± 0.3, and 14 ± 2.6mm) on Staphylococcus aureus, Escherichia coli, Bacillus subtilis, and Bacillus cereus, respectively. EAEOs also exhibited free radical scavenging activity with IC50 values of 69.68µg/mL (DPPH) and 144.4µg/mL (hydroxyl radicals). Followed by, the EAEOs also exhibited significant inhibition of MCF-7 breast cancer cells (IC50: 54.25µg/mL) compared to HepG2 and A549 cells (72.6 and 85.6µg/mL), respectively The EAEOs induced apoptosis and chromosomal damage on targeted cancer cells, and their DNA fragmentation were evidenced. Totally, 17 compounds from EAEOs were identified from GC-MS, in which 2-cyclopenten-1-one, 2-hydroxy-3-methyl (23); piperidine, 1, 4-dimethyl (13); 17-pentatriacontene (7.88); and 3-octadecene (7.09%) are major ones. Molecular docking confirmed that acetamide, n-(2-benzoyl-4chlorophenyl)-2-(2-methylpiperidin-1-yl)- (compound-3) showed strong binding affinity (10.13kcal/mol) with ERα. Overall, the biological potential of Oscillatoria metabolites were found to be significant. Hence, further screening of preponderant compounds and studying the mechanism are warranted to fulfill their applications in food, pharmaceuticals, and other industries.

Characterization, antioxidant capacity and erythroprotective effect of Zaya (Amoreuxia palmatifida) extracts

Zaya (Amoreuxia palmatifida) is a herbaceous plant found in northwest Mexico, particularly in the state of Sonora, where it has been historically consumed by its first settlers due to its nutritional and medicinal properties. Despite its importance, there is little information about the phytochemical compounds present in Zaya, its antioxidant activity and erythroprotective effect. Therefore, this study aimed to identify and quantify some of the compounds of interest related to the antioxidant capacity and erythroprotective effect of the plant. The results show that ethanolic extracts of zaya leaf (LE), root (RE) and stem (SE) contain the highest amount of phenols, tannins, flavonoids, chlorophylls and carotenoids, compared to extracts with leaf ethyl acetate (LEA), root (REA), and stem (SEA). Antioxidant activity was highest in LE by DPPH (61.27 ± 1.03 % of inhibition), ABTS (58.21 ± 0.48 % of inhibition) and FRAP (132.44 ± 5.23). All Zaya extracts had erythroprotective effect on O+ (80 to 87 %), followed by B+ (22 - 85 %) and then with A+ (38 - 60 %). In the cytotoxic assay, the highest percentage of hemolysis (41 - 50 %) occurred in blood type B+ with REA, RE, LEA and LE, while the lowest was in blood type O+. Therefore, LE contains the best secondary metabolites that confer greater antioxidant and erythroprocteric capacity without causing toxicity.

Solvent-Dependent Phytochemical Diversity in Justicia tranquebariensis: A Comparative Analysis of Methanol and Ethyl Acetate Extractions

This study investigates the impact of solvent polarity on the extraction efficiency and phytochemical profiles of Justicia tranquebariensis, a plant traditionally valued for its medicinal properties. Bioactive compounds were extracted from dried plant material using methanol (polar) and ethyl acetate (semi-polar) via Soxhlet extraction. Methanol yielded a significantly higher extraction rate (24.17%) compared to ethyl acetate (11.82%) and a broader range of phytochemicals, including alkaloids, flavonoids, steroids, terpenoids, phenols, tannins, and carbohydrates. In contrast, the ethyl acetate extract was characterized by flavonoids, steroids, terpenoids, carbohydrates, and oils/resins. These findings highlight the crucial role of solvent selection in determining the quantity and diversity of extracted secondary metabolites from Justicia tranquebariensis, providing valuable insights for targeted phytochemical investigations and potential drug discovery efforts.

Antidiarrheal, analgesic,antidepressant, antimicrobial and hypoglycemic activities of methanolic extract from Sonneratia apetala fruit, with identification of bioactive compounds in n-hexane, chloroform, and ethyl acetate fractions.

The rapidly growing mangrove fruit Sonneratia apetala, native to the deltaic region of Bangladesh, holds promise in traditional medicine due to its bioactivity and antimicrobial properties. Sample collections from Nijum Dwip, Hatiya, Noakhali in Bangladesh were divided into pericarps and seeds, subsequently fractionated with methanol, n-hexane, ethyl acetate, and chloroform. Bioactivity assays involved Swiss albino mice, acquired from ICDDR, B, in compliance with FELASA standards. Standard agents such as diclofenac sodium, loperamide, diazepam, and glibenclamide were used to evaluate antidiarrheal, antidepressant, hypoglycaemic, and analgesic effects, while ciprofloxacin served as a reference for antibacterial and antifungal testing. Methanolic extracts (ME) of the seed and pericarp exhibited notable peripheral and central analgesic effects at 200 and 400 mg/kg dosages. The ME of seeds demonstrated the strongest antidiarrheal efficacy at 400 mg/kg after 1 hour, and the pericarp at 200 mg/kg after 2 hours. The ME also showed significant antidiabetic potential in both seed (99%) and pericarp extracts. GC-MS analysis disclose seven bioactive compounds in the n-hexane, ethyl acetate, and chloroform fractions, including N-Ethyl-2-methylbenzenesulfonamide, 3,6-Pyridazinedione, 1,2-dihydro-1-(4-nitrophenyl), N-Acetyl-alpha-aminooxybutyric acid (methyl), 2H-Phenanthro[2,1-b] azepin-2-one (1,3,4,5,5a), and Undecane. These compounds have established anticancer and antimicrobial properties. Both pericarp and seed extracts displayed strong antifungal activity against Saccharomyces cerevisiae, Candida albicans, and Aspergillus niger, while moderate antibacterial effects were noted against gram-negative strains like Pseudomonas aeruginosa and Salmonella Typhi as well as gram-positive bacteria such as Staphylococcus aureus. These findings underscore S. apetala's potential as a valuable bioactive source for traditional medicinal applications.