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1.
Food Chem ; 431: 137153, 2024 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-37603995

RESUMO

Essential oils, intricate blends of volatile compounds obtained from a variety of sources, play a crucial role in numerous industries. To elevate product quality, deterpenation becomes an indispensable step. This study proposes an in situ isolation technique based on deep eutectic solvents (DESs) for the deterpenation of essential oil. Salient features of relevant compounds were obtained using conductor-like screening model for real solvents (COSMO-RS) and density functional theory (DFT) methods to predict deterpenation performance. Tetrabutylammonium chloride (TBAC) was chosen based on the results of theoretical analysis and experiment to extract hydroxy-terpenoids. COSMO-RS was employed to evaluate the extraction performance at different molar ratios, and then combined with experimental analysis to determine the optimal conditions. The σ-profiles of organic solvents and their interactions with terpene revealed n-hexane to be the best solvent for purifying DES. TBAC and terpenoids were obtained through the re-extraction procedure, with a recovery of 81.8-84.4%.


Assuntos
Asteraceae , Óleos Voláteis , Solventes Eutéticos Profundos , Terpenos , Solventes
2.
Food Chem ; 430: 137029, 2024 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-37523819

RESUMO

Recently, more and more attention has been paid to the construction of stimulus-responsive aqueous two-phase systems (ATPSs) for the extraction and separation of various bioactive compounds. In this work, an ATPS based on a pH-responsive polymeric deep eutectic solvent (PDES) and phosphate salt was constructed for the first time. The pH-response properties of the PDES were studied through a series of experiments. Additionally, the phase formation mechanism was studied through experiments and simulations. This novel PDES-based ATPS was used to extract aromatic amino acids (AAAs). The extraction efficiencies for tyrosine (Tyr), phenylalanine (Phe), and tryptophan (Trp) reached 95.25%, 99.05%, and 99.10%, respectively. By adjusting pH, PDES was recycled and reused. This novel and recyclable PDES-based ATPS could be an efficient method for the extraction of AAAs, which could also be applied used as a versatile and sustainable method for the extraction of other bioactive compounds in the future.


Assuntos
Aminoácidos Aromáticos , Solventes Eutéticos Profundos , Solventes/química , Água/química , Polímeros , Concentração de Íons de Hidrogênio
3.
Food Chem ; 430: 136990, 2024 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-37536067

RESUMO

Using natural deep eutectic solvents (NDES) for green extraction of lentinan from shiitake mushroom is a high-efficiency method. However, empirical and trial-and-error methods commonly used to select suitable NDES are unconvincing and time-consuming. Conductor-like screening model for realistic solvation (COSMO-RS) is helpful for the priori design of NDES by predicting the solubility of biomolecules. In this study, 372 NDES were used to evaluate lentinan dissolution capability via COSMO-RS. The results showed that the solvent formed by carnitine (15 wt%), urea (40.8 wt%), and water (44.2 wt%) exhibited the best performance for the extraction of lentinan. In the extraction stage, an artificial neural network coupled with genetic algorithm (ANN-GA) was developed to optimize the extraction conditions and to analyze their interaction effects on lentinan content. Therefore, COSMO-RS and ANN-GA can be used as powerful tools for solvent screening and extraction process optimization, which can be extended to various bioactive substance extraction.


Assuntos
Solventes Eutéticos Profundos , Cogumelos Shiitake , Lentinano , Solventes , Água
4.
Talanta ; 266(Pt 1): 124932, 2024 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-37499359

RESUMO

In this work, an innovative green strategy has been developed for the analysis of twenty-seven endocrine disruptors, including bisphenols, alkylphenols and alkylphenol ethoxylates, phthalic acid esters and one adipate in tropical beverages. For this purpose, nine natural hydrophobic deep eutectic solvents based on the terpenoids camphor, thymol and menthol at different molar ratios were investigated for the first time as extractants for the liquid-liquid microextraction of the target analytes from coconut waters and Aloe Vera drinks. A mixture of camphor:thymol at molar ratio 1:2 (n/n) was selected as extraction solvent. Determination of the target analytes was carried out by ultra-high performance liquid chromatography coupled to tandem mass spectrometry. After optimisation of the determination and extraction conditions, the methodology was validated achieving good results in terms of linearity, as well as recovery values in the range 75-111% and limits of quantification from 0.137 to 10.08 µg/L. Finally, the developed methodology was applied to the analysis of commercially available samples, finding the presence of diethyl phthalate.


Assuntos
Cânfora , Microextração em Fase Líquida , Solventes/química , Solventes Eutéticos Profundos , Timol , Xenobióticos , Bebidas , Microextração em Fase Líquida/métodos , Limite de Detecção , Cromatografia Líquida de Alta Pressão/métodos
5.
Talanta ; 266(Pt 1): 124935, 2024 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-37499365

RESUMO

An automated accelerated salting-out assisted solvent extraction (A-ASASE) was developed. This approach made full use of the advantages of both the accelerated solvent extraction (ASE) technique and salting-out assisted liquid-liquid extraction (SALLE), without any modifications at the level of the ASE machine. The A-ASASE combined an automated extraction at high temperature/pressure and an enrichment step using eco-friendly solvents (e.g., water and ethanol) in a fully integrated and simple way that required only low volumes of solvents. The A-ASASE was successfully applied to extract three stilbenoids, namely E-resveratrol, E-ε-viniferin and E-vitisin B, present in grapevine (Vitis vinifera L.) by-products as a proof-of-concept compound. First, factors affecting the yield of stelbenoids by SALLE were investigated by means of a design of experiment model (DOE). The SALLE was then incorporated into ASE. Various ASE operational parameters such as temperature and number of cycles were also investigated. The highest yield was obtained using a mixture of ethanol-water, 70:30 (v/v) at 60 °C, using three extraction cycles and with 5 min of contact each. The highest yields of stilbenoids were 5.87 ± 0.28 g kg-1 dry weight, 3.27 ± 0.72 g kg-1 dry weight and 1.81 ± 0.2 g kg-1 dry weight for resveratrol, E-ϵ-viniferin and vitisin B, respectively. The A-ASASE was then successfully applied to extract the same stilbenoids from the roots of Vitis vinifera L. These results highlight the applicability of A-ASASE methodology to the extraction and enrichment of the extract in compounds of medium-high polarity in an easy and fully automated way.


Assuntos
Estilbenos , Vitis , Resveratrol , Solventes , Água , Cloreto de Sódio , Extração Líquido-Líquido/métodos , Etanol , Cromatografia Líquida de Alta Pressão
6.
Talanta ; 266(Pt 1): 124914, 2024 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-37524042

RESUMO

In this work, we reported the development of a novel, simple, and green liquid-phase microextraction (LPME) procedure based on the use of a customized device for the determination of 47 multiclass pesticides in red, white, and rosè wine samples by GC-MS. The main parameters that affect the LPME were optimized using multivariate statistical techniques such as centroid-simplex mixture design and Doehlert design. The optimal conditions were: 70 µL of toluene as extractor solvent; concentration of NaCl (2.7%, m v-1); pH 4; and an extraction time of 30 min, under vortex-assisted agitation (at 500 rpm). After validation, it was possible to obtain LOQ values as low as 7.63 ng L-1 and extraction recoveries ranging from 81.7% to 119% for most of the target pesticides. The application of exploratory analysis, specifically Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA), provided evidence indicating contamination in the different types of wine samples, primarily by systemic fungicides.


Assuntos
Fungicidas Industriais , Microextração em Fase Líquida , Praguicidas , Vinho , Praguicidas/análise , Vinho/análise , Solventes , Cromatografia Gasosa-Espectrometria de Massas/métodos , Fungicidas Industriais/análise , Microextração em Fase Líquida/métodos
7.
Food Chem ; 430: 137110, 2024 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-37562259

RESUMO

The main purpose of this study was to prepare zein-chondroitin sulfate (ZC) nanocomplex by anti-solvent co-precipitation, and to encapsulate, protect and controlled-release curcumin. As the proportion of chondroitin sulfate (CS) increased, the particle size, turbidity and zeta-potential of the ZC nanocomplexes all increased. When the mass ratio of zein and CS was 10:3, the ZC nanocomplex had small particle size (129 nm) and low polydispersity index (0.3). According to FTIR, FS, CD and XRD results, zein and CS were tightly bound by electrostatic attraction, hydrophobic effect and hydrogen bonding. The ZC nanocomplex was designed to encapsulate curcumin with high encapsulation efficiency (94.7%) and loading capacity (3.8%), and also enhanced the resistance of curcumin to light and thermal degradation by 2.9 and 2.4 times. It also exhibited controlled release capability during simulated gastrointestinal digestion. These results suggested the ZC nanocomplex is a good delivery vehicle to facilitate the application of curcumin.


Assuntos
Curcumina , Nanopartículas , Zeína , Curcumina/química , Zeína/química , Sulfatos de Condroitina , Solventes , Nanopartículas/química , Tamanho da Partícula
8.
Talanta ; 266(Pt 2): 125078, 2024 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-37659232

RESUMO

A hydrophobic deep eutectic solvent-based liquid-phase microextraction approach for the determination of ultra-trace arsenic (total) in foods by an electrothermal atomization atomic absorption spectrometry was developed. Various deep eutectic solvents based on tetraoctylammonium bromide and fatty acids (heptanoic, octanoic, nonanoic, decanoic acids) were studied as extraction solvents for preconcentration of arsenic (V) from mineralizates obtained after a microwave digestion of food samples. Phenomenon of ion-pairs formation between dihydroarsenate and precursor of deep eutectic solvent (tetraoctylammonium) and mass-transfer of the ion-pairs into deep eutectic solvent phase was presented for the first time. The proposed approach allowed to preconcentrate analyte into the deep eutectic solvent phase without the use of additional organic solvents (emulsifier agents or dispersive solvent), chelating and reducing agents. It was found, that the deep eutectic solvent based on tetraoctylammonium bromide and heptanoic acid provided more effective preconcentration of analyte from mineralizates (95% extraction recovery, 57-fold enrichment factor). The obtained limit of detection, calculated as a triple signal-to-noise ratio, was 10 ng L-1. The microextraction procedure was applied for the determination of trace arsenic in rice and wheat grains samples.


Assuntos
Arsênio , Solventes Eutéticos Profundos , Espectrofotometria Atômica , Solventes
9.
PLoS One ; 18(9): e0289321, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37682891

RESUMO

The post-COVID-19 era presents a looming threat of global debt, elevating concerns regarding sovereign credit ratings worldwide. This study develops a new index system, divides the rating variables into long- and short-term factors, performs rating fitting and prediction, and investigates the fairness of China and relevant countries. Our findings reveal that sovereign credit ratings have a deterrent effect on the global financial market due to the ceiling effect and quasi-public goods characteristics. A high and stable credit rating demands long-term enhancements in economic fundamentals, budget balances, external surpluses, and overall solvency. Concurrently, effective short-term debt management strategies, including reduction, repayment, and swaps, are essential. Moreover, we introduce the concept of a "rating gap" to assess rating fairness, revealing both undervaluation and overvaluation among countries. Notably, China's sovereign rating was underestimated between 2009 and 2011 and overestimated between 2013 and 2016. These findings underscore the criticality of government vigilance in monitoring sovereign debt and credit ratings to navigate potential post-COVID-19 sovereign debt crises.


Assuntos
COVID-19 , Humanos , COVID-19/epidemiologia , China , Orçamentos , Governo , Solventes
10.
Int J Mol Sci ; 24(17)2023 Sep 04.
Artigo em Inglês | MEDLINE | ID: mdl-37686453

RESUMO

For covalent attachment-supported α-diimine catalysts, on the basis of ensuring the thermal stability and activity of the catalysts, the important problem is that the active group on the catalyst can quickly react with the support, anchoring it firmly on the support, shortening the loading time, reducing the negative impact of the support on the active centers, and further improving the polymer morphology, which makes them suitable for use in industrial polymerization temperatures. Herein, we synthesized a α-diimine nickel(II) catalyst bearing four hydroxyl substituents. The hydroxyl substituents enable the catalyst to be immobilized firmly on silica support by covalent linkage in 5-10 min. Compared with the toluene solvent system, the homogeneous catalysts show high activity and thermal stability in hexane solvent at the same conditions. Compared with homogeneous catalysts, heterogeneous catalysis leads to improvements in catalyst lifetime, polymer morphology control, catalytic activity, and the molecular weight of polyethylene (up to 679 kg/mol). The silica-supported catalysts resulted in higher melting temperatures as well as lower branching densities in polyethylenes. Even at 70 °C, the polyethylene prepared by S-CatA-2 still exhibits dispersed particle morphology, and there is no phenomenon of reactor fouling, which is suitable for industrial polymerization processes.


Assuntos
Etilenos , Polietileno , Polimerização , Catálise , Radical Hidroxila , Polímeros , Dióxido de Silício , Solventes
11.
Molecules ; 28(17)2023 Aug 23.
Artigo em Inglês | MEDLINE | ID: mdl-37687028

RESUMO

Helichrysum italicum has piqued the interest of many researchers in recent years, mostly for its essential oil, but increasingly for its polyphenolic content as well. In the current study, we examine the polyphenolic composition of H. italicum grown in Bulgaria. The polyphenolic complex was fractionated with solvents of various polarities, including hexane, chloroform, ethyl acetate, and butanol, in order to assess the biological impact of the components. HPLC-PDA and UHPLC-MS/MS were used to examine all fractions. The green coffee fingerprint profile was employed as a "surrogate standard" in the polyphenolic components detection approach. From the UHPLC-MS/MS analysis, we identified 60 components of the polyphenolic complex such as quercetin 3-O-glucuronide, quercetin acetyl-glycoside, isorhamnetin acetyl-glycoside, isorhamnetin caffeoyl-glycoside, quercetin caffeoyl-malonyl-glycoside, isorhamnetin coumaroyl-glycoside, coumaroyl-caffeoylquinic acid, and diCQA-acetyl-derivative were first reported in the composition of H. italicum. The biological activity of the fractions was evaluated in vitro and in silico, which included the fight against oxidative stress (hydrogen peroxide scavenging activity (HPSA), hydroxyl radical scavenging activity (HRSA), metal-chelating activity (MChA)) and nitrosative (nitric oxide scavenging activity) (NOSA)), in vitro anti-inflammatory, and anti-arthritic activity. Results are presented as IC50 ± SD µg/mL. The analysis showed that the EtOAc fraction was characterized by highest HPSA (57.12 ± 1.14 µg/mL), HRSA (92.23 ± 1.10 µg/mL), MChA (5.60 ± 0.17 µg/mL), and NOSA (89.81 ± 2.09 µg/mL), while the hexane and chloroform fractions showed significantly higher in vitro anti-inflammatory activity (30.48 ± 2.33 µg/mL, 62.50 ± 1.69 µg/mL) compared to the standard ibuprofen. All three fractions showed potential anti-arthritic activity (102.93 ± 8.62 µg/mL, 108.92 ± 4.42 µg/mL, 84.19 ± 3.89 µg/mL).


Assuntos
Clorofórmio , Helichrysum , Solventes , Cromatografia Líquida de Alta Pressão , Hexanos , Quercetina , Espectrometria de Massas em Tandem , Glicosídeos , Radical Hidroxila
12.
Molecules ; 28(17)2023 Aug 25.
Artigo em Inglês | MEDLINE | ID: mdl-37687082

RESUMO

This paper presents the photophysical and biological properties of eight 3-imino-1,8-naphthalimides. The optical properties of the compounds were investigated in the solvents that differed in their polarity (dichloromethane, acetonitrile, and methanol), including three methods of sample preparation using different pre-dissolving solvents such as dimethyl sulfoxide or chloroform. In the course of the research, it was found that there are strong interactions between the tested compounds and DMSO, which was visible as a change in the maximum emission band (λem) of the neat 3-imino-1,8-naphthalimides (λem = 470-480 nm) and between the compounds and DMSO (λem = 504-514 nm). The shift of the emission maximum that was associated with the presence of a small amount of DMSO in the sample was as much as 41 nm. In addition, the susceptibility of imines to hydrolysis in the methanol/water mixture with increasing water content and in the methanol/water mixture (v/v; 1:1) in the pH range from 1 to 12 was discussed. The studies showed that the compounds are hydrolysed in the CH3OH/H2O system in an acidic environment (pH in the range of 1 to 4). In addition, it was found that partial hydrolysis occurs in systems with an increased amount of water, and its degree may depend on the type of substituent on the imine bond. The compounds tended to quench the emission (ACQ) in the aggregated state and increase the emission related to the protonation of the imine bond. Moreover, it was found that the substituent in the imine bonds influenced a compound's individual photophysical properties. Biological tests, including cytotoxicity studies and cellular localisation, were also performed for all of the molecules. All of the tested compounds exhibited green fluorescence in the MCF-7 cells and showed co-localisation in the mitochondria, endoplasmic reticulum, and lysosome. The obtained photophysical and biological results indicate the promising potential use of the tested compounds as cellular dyes.


Assuntos
Dimetil Sulfóxido , Metanol , Naftalimidas/farmacologia , Corantes Fluorescentes , Solventes , Iminas , Ionóforos
13.
Molecules ; 28(17)2023 Aug 25.
Artigo em Inglês | MEDLINE | ID: mdl-37687084

RESUMO

Laportea bulbifera (Sieb. et Zucc.) Wedd., a plant with a long history of medicinal use, possesses uncertainly defined medicament portions while its antioxidant capacity remains largely unexplored. To gain a better understanding of its medicinal value, this study focused on investigating the Laportea bulbifera aboveground part (LBAP) and the Laportea bulbifera root (LBR). Through an assessment of the bioactive compound content, a significant finding emerged: the LBR exhibited notably higher levels of these bioactive phytochemicals compared to the LBAP. This observation was further reinforced by the antioxidant assays, which demonstrated the superiority of the LBR's antioxidant capacity. The experimental results unequivocally indicate that the root is the optimal medicament portion for Laportea bulbifera. Furthermore, it was discovered that the presence of alcohol in the extraction solvent significantly enhanced the extraction of active ingredients, with the methanol extract of LBR performing the best among the extracts tested. Consequently, this extract was selected for further research. Leveraging cutting-edge UHPLC-ESI-Q-TOF-MS technology, the methanol extract of LBR was meticulously analyzed, revealing the presence of 41 compounds, primarily belonging to the phenolics and fatty acids. Remarkably, stability experiments demonstrated that the phenolics in the methanol extract maintained their stability across various pH values and during in vitro simulations of the human digestive system, albeit showing gradual degradation under high temperatures. Furthermore, the oxidative stability tests conducted on oils revealed the potential of the methanol extract as a stabilizer for olive oil and sunflower oil. Moreover, oral acute toxicity studies confirmed the low toxicity of the methanol extract, further supporting its safe use for medicinal purposes. Of particular note, histopathological examination and biochemical analysis affirmed the remarkable protective effects of the methanol extract against d-galactosamine-induced liver damage. These findings underscore the therapeutic potential of the methanol extract from the LBR in the treatment of diseases associated with oxidative imbalance.


Assuntos
Antioxidantes , Urticaceae , Humanos , Animais , Ratos , Antioxidantes/farmacologia , Metanol , Solventes , Bioensaio , Etanol , Fenóis/farmacologia
14.
Molecules ; 28(17)2023 Aug 30.
Artigo em Inglês | MEDLINE | ID: mdl-37687163

RESUMO

A response surface methodology (RSM) with a central composite design (CCD) was developed to predict and apply the best ultrasound-assisted extraction (UAE) conditions, including the extraction time, the composition of aqueous-ethanolic extractants, and the solvent-to-plant-material ratio, for obtaining the highest yields of different types of polyphenolic components from the dried flower buds of Magnolia × soulangeana Soul.-Bod. var. 'Lennei' (MSL). The novel approach in the RSM procedure resulted from the simultaneous optimisation of UAE conditions to obtain extracts with the highest antioxidant and antiradical potential (examined as dependent variables), using appropriate spectrophotometric assays, with Folin-Ciocâlteu and 2,2-diphenyl-1-picrylhydrazyl reagents, respectively. The use of 66.8% (V/V) ethanol as the extraction solvent during the 55.2 min extraction protocol and the ratio of extractant volume to herbal substance of 46.8 mL/g gave the highest total yield of bioactive antioxidant phenolics in the extract obtained. For this herbal preparation, a qualitative and quantitative analysis was performed using combined chromatographic (LC), spectroscopic (PDA), and tandem mass spectrometric (ESI-QToF-MS/MS) techniques. A detailed phytochemical profiling, conducted for the first time, documented substantial amounts of various polyphenolic antioxidants, especially phenylethanoids and flavonoids, in the MSL flower buds. Their average total content exceeded 30.3 and 36.5 mg/g dry weight, respectively.


Assuntos
Magnolia , Antioxidantes , Espectrometria de Massas em Tandem , Etanol , Solventes , Flores
15.
Molecules ; 28(17)2023 Aug 31.
Artigo em Inglês | MEDLINE | ID: mdl-37687211

RESUMO

This study aimed to extract and purify polyphenols from Acanthopanax senticosus. A new green method was developed, in which ionic liquids (ILs) were used as aqueous two-phase (ATP) adjuvants to extract the polyphenols from A. senticosus. An ionic liquid-assisted aqueous two-phase system (IL-ATPS) was established. The purification of the polyphenols from the extraction fluid by AB-8 macroporous resin was conducted, and the kinetic mechanisms were studied. The reuse of ionic liquids was executed. The results showed that an [OMIM]Br-assisted ethanol/NaH2PO4 system (IL-ATPS) was the best extraction solvent. In this study, the following optimal extraction conditions were determined: 32 wt.% ethanol, 25 wt.% NaH2PO4, 9 wt.% additional ionic liquid, a solid-liquid ratio of 1:40 g/mL, an extraction temperature of 50 °C, a pH of 4.0, an extraction time of 50 min, and an extraction rate of the polyphenols at 15.90 mg/g. The optimum adsorption parameters of the macroporous resin AB-8 were as follows: a flow rate of 3.5 BV·h-1, a sample volume of 40 mL, an elution flow rate of 3.5 BV·h-1, an eluent volume of 80 mL, and an eluant that was constituted by an 85% volume fraction of ethanol. The decolorization effect of 4% activated carbon was better than the other amounts; in addition, a decolorization rate of 76.81% and an ionic liquid recovery rate of 81.12% were found to be the most optimal. Compared with the traditional extraction methods, IL-ATPS has the advantages of requiring simple operation, saving time, and high efficiency. In addition, it can be used for the extraction of the polyphenolic compounds.


Assuntos
Eleutherococcus , Líquidos Iônicos , Solventes , Etanol , Polifenóis , Resinas Vegetais
16.
Molecules ; 28(17)2023 Sep 02.
Artigo em Inglês | MEDLINE | ID: mdl-37687234

RESUMO

This research compares the extraction of betalains (betacyanin and betaxanthin) and total phenolic content using citric acid and aqueous-ethanol solutions. The aim is to find an environmentally sustainable alternative solvent for extracting these compounds from dried beetroot powder. Using citric acid solution as a solvent offers several benefits over ethanol. Citric acid is a weak organic acid found naturally in citrus fruits, making it a safe and environmentally friendly choice for certain extraction processes. Moreover, the use of citric acid as solvent offers biodegradability, non-toxicity, non-flammability, and is cost effective. A full factorial design and response surface methodology (RSM) were employed to assess the effects of extraction parameters (extraction time (5-30 min), extraction temperature (20, 30, 40 °C), pH of citric acid solution (3, 4, 5) and ethanol concentration (10, 20, 30% v/v)). The yield was determined spectrophotometrically and expressed as mg/g of dry powder. The results showed that citric acid solution yielded 85-90% of the ethanolic extract under identical conditions. The maximum yields of betacyanin, betaxanthin, and total phenolic content in citric acid solution were 3.98 ± 0.21 mg/g dry powder, 3.64 ± 0.26 mg/g dry powder, and 8.28 ± 0.34 mg/g dry powder, respectively, while aqueous-ethanol yielded 4.38 ± 0.17 mg/g dry powder, 3.95 ± 0.22 mg/g dry powder, and 8.45 ± 0.45 mg/g dry powder. Optimisation resulted in maximum extraction yields of 90% for betalains and 85% for total phenolic content. The study demonstrates the potential of citric acid as a viable alternative to polar organic solvents for extracting phytochemicals from plant material, providing comparable results to aqueous-ethanol. Artificial Neural Network (ANN) models outperformed RSM in predicting extraction yields. Overall, this research highlights the importance of exploring bio-solvents to enhance the environmental sustainability of phytochemical extraction.


Assuntos
Betalaínas , Etanol , Betacianinas , Pós , Betaxantinas , Solventes , Fenóis , Ácido Cítrico
17.
J Mol Graph Model ; 125: 108561, 2023 12.
Artigo em Inglês | MEDLINE | ID: mdl-37660617

RESUMO

Physicochemical properties of the binary mixtures based on Caprylic acid: Quaternary ammonium salts (QAS) (7:3 mol ratio) are investigated using MD simulations. Considering the hydrophobic character of eutectic solvents based on long-chain fatty acids, the stability of the binary mixtures was investigated in the adjacent water. In order to investigate the effect of water on intermolecular interactions in binary mixtures, the structural properties of the binary mixtures in the pure state and adjacent to water were investigated at 310 K. Assessed structural properties include the combined distribution functions (CDFs), the radial distribution functions (RDFs), the angular distribution functions (ADFs), and the Hydrogen bonding network between HBA and HBD and Spatial distribution functions (SDF). We aimed to represent the structural stability of eutectic solvents based on Caprylic acid and Quaternary ammonium salts (QAS) as a function of the alkyl chain length of cations, the evidence was found for the interaction between the chloride anion leads to the transition of HBA to the water-rich phase. The alkyl chain length of cations of Quaternary ammonium salts shows the stability of eutectic solvents in the adjacent water.


Assuntos
Caprilatos , Água , Solventes Eutéticos Profundos , Sais , Solventes , Compostos de Amônio Quaternário
18.
Anal Methods ; 15(36): 4627-4639, 2023 Sep 21.
Artigo em Inglês | MEDLINE | ID: mdl-37694570

RESUMO

There is a pressing need for the development of greener liquid chromatographic bioanalytical methods for antidiabetic drugs for plasma monitoring and revisiting patients' dosage regimens. Besides, analytical methods are also needed for the quality assurance of finished drug products and regulatory approval. Therefore, the present review focuses on the reported liquid chromatographic methods (LC and LC-MS/MS) that are applied for quality control, forced degradation, and pharmacokinetic studies of a newer antidiabetic agent, canagliflozin (CNG). These reported studies are summarized based on liquid chromatographic separation parameters, such as column dimensions, mobile-phase compositions, flow rate, and use of different detection systems (UV, PDA, and mass spectrometry). The sample pretreatment of biological fluids, which is important for minimizing the matrix effect, is dealt with separately. Liquid-liquid extraction was found to be the most preferred methodology adopted for sample pretreatment followed by the solid-phase extraction technique. However, miniaturized novel pretreatment methods are untraceable in the literature for the extraction of CNG. Special emphasis is paid to the assessment of the greenness profiles of the reported analytical methods for the consideration of sustainable development and green analytical chemistry. Based on the National Environmental Method Index (NEMI) assessment tool, most of the reported studies fulfilled around half of the parameters and were found to be about 50% greener. It is proposed that toxic or hazardous solvents, such as acetonitrile or methanol, should be replaced with greener and environmentally friendly solvents. Thus, there is a need to develop more robust, efficient, and greener liquid chromatographic methods for the determination of CNG in biological fluids and drug products.


Assuntos
Canagliflozina , Espectrometria de Massas em Tandem , Humanos , Cromatografia Líquida , Química Analítica , Hipoglicemiantes , Solventes
19.
J Chromatogr A ; 1708: 464347, 2023 Oct 11.
Artigo em Inglês | MEDLINE | ID: mdl-37696125

RESUMO

The current work presents an on-chip electromembrane extraction (OC-EME) method using deep eutectic solvent followed by QR code-based red-green-blue (RGB) analysis for measuring salicylic acid (SA) in plasma and pharmaceutical samples. The RGB analysis was performed based on forming the SA-Fe3+ complex in the acceptor phase giving a purple solution. The QR code readable customized app provided rapid, easy, and cost-less qualification and quantification of SA with the aid of principal component analysis (PCA). Parameters affecting OC-EME, including the supported liquid membrane (SLM), pH of the donor and acceptor phases, applied voltage, and sample flow rate, were optimized. Also, the concentration of FeCl3, as a chromogenic reagent, and its reaction time with SA were investigated to find the best concentration-dependent signal. Under the optimized conditions, a good relationship was observed between the green intensity and SA concentration within the range of 1.0-100.0 mg l-1 (R2 = 0.9946) in water and 5.0-100.0 mg l-1 (R2 = 0.9902) in plasma. Intra- and inter-day RSDs% were obtained less than 4.7% and 7.7%, respectively. Finally, the method was successfully applied for measuring SA in foot corn treatment, Aspirin medicines, and human plasma, with relative recoveries between 89.0 and 129.2%.


Assuntos
Ácido Salicílico , Smartphone , Humanos , Solventes , Solventes Eutéticos Profundos , Preparações Farmacêuticas
20.
J Chromatogr A ; 1708: 464357, 2023 Oct 11.
Artigo em Inglês | MEDLINE | ID: mdl-37696126

RESUMO

Liquid phase microextraction (LPME) and solid phase microextraction (SPME) are popular extraction techniques for sample preparation due to their green and highly efficient single-step extraction efficiency. With the increasing attention to essential oils, their evaluation and analysis are significant in analytical sciences. In this review, starting from a brief description of the recent advances in the last decade, the attention has been focused on the up-to-date research works and applications based on liquid and solid phase microextraction for essential oil analyses. Particular attention has been given to the approaches using ionic liquids, eutectic solvents, gas flow assisted, and novel composite materials. In the end, the technological convergence of novel microextraction of essential oils in the future has been prospected.


Assuntos
Líquidos Iônicos , Microextração em Fase Líquida , Óleos Voláteis , Microextração em Fase Sólida , Solventes
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