Methanol Solvent Research Articles

An in vitro and in silico antidiabetic approach of GC–MS detected friedelin of Bridelia retusa

Bridelia retusa is a medicinal plant widely used to treat diabetes by ethnic populations worldwide, has been subjected to GC–MS-based profiling for the bark and fruit and identified 96 phytochemicals using ethyl acetate and methanol solvents. The DPPH antioxidant assay recorded that methanolic fruit extract had a maximum antioxidant activity of 83.01 % (IC50-103.03 µg/ml). The α-amylase inhibition activity was found maximum in ethyl acetate bark extract with 76.34 % (127.37 µg/ml), while methanolic fruit extract exhibited the highest α-glucosidase inhibition activity with 86.18 % (106.15 µg/ml). Subsequently, we have compared the antidiabetic potential for 3 pharmacologically significant bioactive constituents friedelin, imidazole & sylvestrene through docking and drug likeliness study and found friedelin has a maximum binding affinity with different protein targets followed by sylvestrene and is most suitable candidate for drug development for hyperglycemia. Molecular dynamics simulations revealed friedelin as the most stable binder to anti-diabetic target proteins, with notable structural insights provided by RMSD, RMSF, SASA, and PCA analyses. MM-PBSA calculations emphasized the significance of various energies with the α-amylase-Friedelin complex exhibiting the highest binding energy.

Optimizing Polyphenol Content and Extraction Methods for Antioxidant Constituents from <i>Portulaca oleracea</i>: Comparing Reflux and Maceration Methods with Various Solvents

Background: The pursuit of developing effective drugs as antioxidants can be traced back to herbal ingredients, including purslane (Portulaca oleracea). The potential of purslane as a medicinal herb can be maximized by selecting the most suitable extraction method and type of solvent. Objective: To assess the levels of total phenolic compounds, total flavonoids, and radical scavenging capacity in P. oleracea obtained through various extraction methods and solvents. Methods: This study combines maceration and reflux methods with 96% ethanol, 80% ethanol, 96% methanol, and 80% methanol solvents to extract total phenolics, flavonoids, and radical scavenging activity from purslane. The folin-ciocalteu method was employed for measuring phenolic content, the AlCl3 method for flavonoid content, and the DPPH method for radical scavenging activity determination. Results: The reflux method using 80% methanol produced the highest total phenolic content, 5.15 ± 0.07 mg GAE/g DW. The maceration method using the same solvent yielded the highest total flavonoid content, 5.74 ± 0.29 mg QE/g DW. Both extraction methods showed similar radical scavenging activity, 1.10 ± 0.003 mg AAE/g DW for maceration and 1.07 ± 0.04 mg AAE/g DW for reflux. Conclusion: The extraction method and solvent significantly impact the total phenolic and flavonoid content produced by P. oleracea.

Phytochemical composition, simulated digestive bioaccessibility and cytotoxicity of Ficus auriculata Lour. fruits: In vitro and in silico insights

Ficus auriculata Lour. (Moraceae) is an underutilized wild edible fruit widely consumed for its nutritional properties. The present study aimed to determine the phytochemical composition and in vitro antioxidant, enzyme inhibitory, anti-inflammatory and anti-cancerous properties of the F. auriculata fruit extracts through in vitro digestion (oral, gastric and intestinal phases). The extracts were obtained by hot extraction and cold maceration methods using aqueous and methanolic solvents. Major phytoconstituents identified through LC-MS was subjected to molecular docking against the target proteins. The elemental analysis shows the presence of major elements; high levels of total phenolics (124.61 ± 0.82 mg gallic acid equivalent/g), flavonoids (76.38 ± 0.82 mg quercetin equivalent/g), vitamin E (32.48 ± 0.09 mg alpha-tocopherol equivalent/g), and carbohydrate (34.59 ± 0.45 mg glucose equivalent/g) in hot extracted methanolic undigested extract (HEM UD) and high level of total protein (124.71 ± 0.34 mg bovine serum albumin equivalent/g) in cold extracted methanolic undigested fruit extract were found. HEM UD showed high antioxidant activity in 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid), 2,2-diphenyl-1-picryl-hydrazyl, and superoxide radical scavenging assays with IC50 of 53.30 ± 0.57, 80.69 ± 0.12, and 65.47 ± 1.13 μg/mL, respectively. The HEM UD extract also potentially inhibited the enzyme activity of α-amylase, α-glucosidase, tyrosinase, and protein denaturation (IC50 of 67.76 ± 1.22, 83.18 ± 1.23, 87.24 ± 1.15, and 65.76 ± 0.60 μg/mL). The most potent extract (HEM UD) was studied for its anticancer effects by MTT assay against the MCF-7 and HeLa cell lines and showed the IC50 of 89.80 ± 0.56 and 60.76 ± 0.04 μg/mL, respectively. The LC-MS analysis elucidated ten phytoconstituents. Based on the molecular docking study, querciturone could potentially be an effective constituent in treating diabetes and inflammation-related issues. The findings indicated the ability of F. auriculata fruits as a promising functional food.

Solvent Effects in Hyperpolarization of 15N Nuclei in [15N3]Metronidazole and [15N3]Nimorazole Antibiotics via SABRE‐SHEATH**

AbstractMetronidazole and nimorazole are antibiotics of a nitroimidazole group which also may be potentially utilized as hypoxia radiosensitizers for the treatment of cancerous tumors. Hyperpolarization of 15N nuclei in these compounds using SABRE‐SHEATH (Signal Amplification By Reversible Exchange in SHield Enables Alignment Transfer to Heteronuclei) approach provides dramatic enhancement of detection sensitivity of these analytes using magnetic resonance spectroscopy and imaging. Methanol‐d4 is conventionally employed as a solvent in SABRE hyperpolarization process. Herein, we investigate SABRE‐SHEATH hyperpolarization of isotopically labeled [15N3]metronidazole and [15N3]nimorazole in nondeuterated methanol and ethanol solvents. Optimization of such hyperpolarization parameters as polarization transfer magnetic field, temperature, parahydrogen flow rate and pressure allowed us to obtain an average 15N polarization of up to 7.2–7.4 % for both substrates. The highest 15N polarizations were observed in methanol‐d4 for [15N3]metronidazole and in ethanol for [15N3]nimorazole. At a clinically relevant magnetic field of 1.4 T the 15N nuclei of these substrates possess long characteristic hyperpolarization lifetimes (T1) of ca. 1 to ca. 7 min. This study represents a major step toward SABRE in more biocompatible solvents, such as ethanol, and also paves the way for future utilization of these hyperpolarized nitroimidazoles as molecular contrast agents for MRI visualization of tumors.

Antibacterial Activity, Toxicity and Drug-Likeness Profiles of Woodfordia fruticosa-Derived Metabolites Using Computational-Aided Drug Design Platform

This study presents a comprehensive investigation into the phytoconstituents reported from Woodfordia fruticosa (L.) Kurz leaf and flower extracts using gas chromatography-mass spectrometry (GC-MS) analysis, along with some existing phytochemicals, to explore their potential antibacterial properties through molecular docking studies. Followed by bio-assay-guided leave and flower extraction with two solvent systems, i.e., methanol (polar) and petroleum ether (non-polar), was used and further subjected to GC-MS to identify and quantify various secondary metabolites. Based on spectral intensity and volume area, a total of 28 compounds (P1 to P28) have been selected from GC-MS analyses, and an additional 14 compounds (P29 to P42) from previous reports were selected for molecular docking studies against DNA gyrase subunit B (GryB) of Escherichia coli (PDB ID: 7P2M) and Staphylococcus aureus (PDB ID: 5D7R) with novobiocin as the standard. Further, docking score or binding affinity (kcal/mol.) of each ligand were investigated, where the 4,5-dihydro-4,4-undeca methylene-2-phenyl-1,3-oxazin-6-one (P20) with a docking score of -8.4 kcal/mol., from the GC-MS-derived group and the chrysophanol-8-O-β-d-glucopyranoside (P37) with a docking score of -9.7 kcal/mol., from existing phytochemical groups were reported as potential antibacterial. The predicted toxicity and drug-ability profiles also suggested that GC-MS-derived candidates displayed comparatively higher non-toxic profiles but lower drug-likeness profiles than existing groups. This integrative approach explores the phytochemical profiles of W. fruticosa responsible for antibacterial activity of the crude extracts and providing insights into in selection of lead antibacterial agent through cost-effective computer-aided drug design platform to accelerate antibacterial drug discovery with higher chance of experimental success.

GC-MS Analysis of Chemical Constituents in Water and Methanol Crude Extracts of Red Sea Soft Coral Xenia macrospiculata Gohar, 1940

Soft corals are marine invertebrates known to be a prolific source of marine natural products. The genus Xenia is a rich source of bioactive compounds including terpenoids, steroids, saturated, unsaturated and poly unsaturated fatty acids. The water and methanol solvent extracts of soft coral Xenia macrospiculata Gohar, 1940 (X. macrospiculata) were screened for the novel chemical constituents using gas chromatography–mass spectroscopy (GC-MS). In the water extracts, seventeen compounds were identified including monounsaturated fatty acids (35.29%), saturated fatty acids (23.52%) followed by unsaturated fatty acids (5.88%), poly unsaturated fatty acid (5.88%), sesquiterpenoids (5.88%), aromatic compounds (5.88%), Alcohols (5.88%), thio compounds (5.88%) and pleuromutilin derivatives (5.88%). In methanol extract thirty compounds were identified, among which 30% are the poly unsaturated fatty acids (PUFA) followed by monounsaturated fatty acids (13.33%), unsaturated fatty acids (13.33%), saturated fatty acids (13.3%), sesquiterpenoids (10%), alcohols (6.66%), oxygenated heterocyclic compounds (3.33%), steroid (3.33%), organo-fluro compounds (3.33%) and aldehyde derivatives (3.33%). The GC-MS screening of water and methanol extracts of X. macrospiculata revealed the presence of several novel bioactive compounds. Fatty acids are potential nutraceutical compounds playing vital role in preventing the risk of cardiovascular disorders and fatty liver. In addition, these compounds also showed potential antioxidant activity, antimicrobial, antineoplastic, ichthyotoxic, cytotoxic, HIV-inhibitory, anti-inflammatory activity and 5α reductase inhibitory activity.

Preliminary Screening of Phytochemicals and Antibacterial Activity of Medicinal Plant Ber (<i>Ziziphus mauritiana</i> Lamark)

The most important genus in the Rhamnaceae family is Ber (Ziziphus mauritiana Lamk). Phytochemicals present in Ziziphus have antioxidant as well as antimicrobial properties. The present study aimed to detect various phytochemicals and evaluate the antibacterial activity in the Z. mauritiana leaf extracts. Leaves from 14 cultivars/germplasm/varieties of Z. mauritiana were used to explore the presence of various phytoconstituents such as alkaloids, flavonoids, cardiac glycosides, phenols, saponins, protein, steroids, tannins, lignins, and reducing sugar. These phytoconstituents have antioxidant, antibacterial, and hepatoprotective activities. The preliminary antimicrobial activity screening of Ziziphus leaf extract against bacterial strains-Bacillus subtilis (Gram-positive), Staphylococcus aureus (Gram-positive), Salmonella abony (Gram-negative), E. coli DH5α (Gram-negative) were performed by using well diffusion method. The results of various phytochemicals like alkaloids, phenolics, flavonoids, tannins, carbohydrates, proteins, lipids, and amino acids were reported in all selected commercial varieties/cultivars/ germplasm. On the other hand, saponins were found completely absent in methanolic solvents of all varieties/cultivars. The aqueous and methanolic solvent leaf extract were tested for antibacterial activity at different concentrations (25mg/ml, 50mg/ml, and 100mg/ml) against the bacterial strains of B. subtilis, S. aureus, S. abony, and E. coli DH5α, respectively. This study showed that the phytochemicals extracted from Z. mauritiana leaves have potential antimicrobial activities.

Solution-processed ZnO quantum dot thin films with low solvent residues and ultra-flat surfaces

ZnO quantum dots are considered a desirable material for the electron transport layer (ETL) in thin-film optoelectronic devices, determining their efficiency and stability. Solution-processed ZnO quantum dot films are fascinating due to the potential for low-cost manufacture of large-area devices and the compatibility with flexible substrates. However, eliminating solvent residues from solution-derived ZnO films remains a challenge, as their presence can significantly impact the efficiency and performance of the devices. Herein, we reported a straightforward and controllable strategy to overcome the above problem, aiming to achieve low solvent residues and ultra-flat ZnO films. Methanol, with its low boiling point and high relative evaporation rate, is utilized as a dispersing solvent for ZnO quantum dots, the resulting thin films exhibit low solvent residue, as confirmed by TGA and NMR analyses. Moreover, we achieved a stable monodisperse state of ZnO quantum dots in methanol solvent for three months by a simple temperature control method. The ZnO film prepared using a low-temperature spin-coating technique demonstrates extremely low surface roughness (RMS less than 1 nm).

Morpho-anatomical characteristics, phytochemical and antibacterial potential of Sargassum polycystum collected along the southern coast of Java, Indonesia

Abstract. Meinita MDN, Yulia R, Nursid M, Nurulita NA, Harwanto D, Riviani, Riyanti. 2024. Morpho-anatomical characteristics, phytochemical and antibacterial potential of Sargassum polycystum collected along the south coast of Java, Indonesia. Biodiversitas 25: 2669-2681. The southern coast of Java is one of the coastal areas in Indonesia with a high abundance of seaweed. Sargassum polycystum, a brown marine macroalga that is abundant in southern coast of Java, contains high secondary metabolites and exhibits promising potential as an antibacterial agent. There is lack of comprehensive study on morpho-anatomical characteristic and bioactivity of S. polycystum. Hence, this study investigated the morpho-anatomical characteristics, phytochemical compound content, and antibacterial activity of S. polycystum collected from three different beaches along the southern coast of Java Island against pathogenic bacteria Bacillus megaterium, Micrococcus luteus, and Escherichia coli. Specimen collection was done using purposive random sampling along southern coast of Java Island, followed by descriptive exploratory of morpho-anatomical characteristic, extraction, phytochemical analysis and antibacterial activity assay. Maceration with methanol solvent during 48 hours was used for extraction. The phytochemical analysis employed a qualitative descriptive method, while the antibacterial activity was assessed using the disc diffusion method (Kirby-Bauer). The morpho-anatomical characteristics observed of S. polycystum include the characteristic of a rough-textured stipe, round tapered serrated blade, small disc-shaped holdfast, alternate pinnate branching, cell wall, vacuole and cytoplasm. The morphology and anatomy of S. polycystum particularly the thallus and blade structure are strongly impacted by the environmental condition of southern coast of Java. Phytochemical analysis revealed the presence of alkaloids, flavonoids, saponins, and steroids in S. polycystum extract. Antibacterial assay demonstrated a medium to strong antibacterial activity against B. megaterium with bacteriostatic properties, strong to very strong antibacterial activity against M. luteus, and weak antibacterial activity against E. coli. Future research is required to examine how environmental conditions affect the composition and concentration of phytochemical compounds in S. polycystum.

Robust carbon quantum dots supported cobalt oxide composite particles prepared by hydrothermal process for green hydrogen generation via sodium borohydride hydrolysis

Carbon quantum dots (CQDs), a new class of carbon nanostructures with a particle size of 10 nm, exhibit important properties such as easy surface functionalization, low cost, chemical inertness, water solubility and low toxicity. In this study, an effective catalyst was synthesized using cobalt oxide (Co3O4) metal nanoparticles dispersed on CQD support material obtained from sucrose by hydrothermal method (Co3O4-SCQD-HT). The resulting catalyst system was used for effective hydrogen (H2) production from sodium borohydride (NaBH4) hydrolysis. Hydrogen generation rate (HGR) values of 7041, 18,426 and 27,555 mlmin−1gcat−1 were obtained with Co3O4-SCQD catalysts synthesized during the hydrothermal process with water, ethanol and methanol solvents, respectively. The HGR values of the catalysts obtained in ethanol and methanol medium provided an improvement of approximately 2.5 and 4 times, respectively, compared to the catalyst prepared in water medium. The activation energy for NaBH4 hydrolysis by Co3O4-SCQD-HT was 29.92 kJmol−1. Transmission Electron Microscopy (TEM), Energy-dispersive X-ray spectroscopy (EDS), nitrogen adsorption/desorption, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Inductively coupled plasma optical emission spectroscopy (ICP-OES) and X-ray photoelectron spectroscopy (XPS) analyses were used for the characterization study. The average particle size for the Co3O4-SCQD-HT nanocomposite is approximately 3.27 nm. The presence of carbon (C), oxygen(O), nitrogen (N) and cobalt (Co) atoms was confirmed by XPS and EDS analysis.

Optimization and extraction of annatto pigments obtained from Bixa orellana L. using supercritical fluid extraction

Traditionally, various techniques like water, vegetable oil, and solvent extraction are used to extract annatto pigments, a natural coloring agent derived from the Bixa orellana L. shrub. These traditional extraction methods can be time consuming and yield minimal pigment concentrations. This study explores an innovative approach to extract the maximum pigments from the annatto seed using supercritical fluid extraction (SFE). Fresh, extracted aqueous, and peeled samples of annatto powder were used at different temperatures (40, 45, and 50 °C) using different solvents of ethanol, methanol, and ethyl acetate with 99 % purity. The optimal extraction condition in supercritical fluid extraction is obtained with an aqueous sample treated with methanol solvent at 45 °C that yields 4.62 % norbixin, 2.49 % bixin, and a hue angle of 24.85⁰, achieving a high desirability value (0.949). Response surface method (RSM) was used to optimize the extraction procedure to obtain a higher yield of annatto pigments. In addition, for optimized conditions, the total phenols and antioxidants assay yielded 3.8 mg GAE/g and 51 % inhibition. HPLC analysis confirmed norbixin in the extracts obtained with a retention time of 38.40 min. This method offers a significant boost in pigment extraction efficiency, but also minimizes processing time. These combined advantages position it as a potentially superior approach for producing annatto pigments with enhanced concentration and purity.

Seeds of Hyoscyamus muticus L. subsp. falezlez: Morpho-Anatomical Features, Phytochemical Investigation and Evidence for Antioxidant Activities.

This work aims to describe the morpho-anatomy and determine the mineral composition of H. muticus L. subsp. falezlez seed, and investigate the influence of extraction solvents (hexane, petroleum ether, chloroform and methanol) on contents of total phenolic (TPC) and flavonoid (TFC) and the antioxidant activity (DPPH, ABTS, reducing power and phenanthroline). The mineral content analysis revealed the presence of different elements. The results indicated that the seed extract obtained by methanol exhibited the highest yield and TPC (82.07 % and 27.14±2.2 μg GAE/mg), while the chloroform extract had the maximum TFC (24.63±0.4 μg QE/mg). In addition, all seed extracts showed excellent performances on DPPH scavenging activity. However, methanolic extract was the most effective extraction solvent for scavenging ABTS free radicals (IC50<12.5 μg/mL). Chloroform and petroleum ether extracts were the most potent in phenanthroline activity. GC-MS analysis identified 28 phytochemical compounds in all extracts and 16 compounds were identified by HPLC/DAD analysis of the methanolic extract. The multivariate analysis results highlighted the influence of solvents on the phenolic composition and antioxidant activity of seed extracts. The results suggest that H. muticus L. seeds can be a promising source enriched with bioactive constituents for application in the pharmaceutical industry.

Novel multiple extraction thermal desorption approach prior to gas chromatography for the determination of residual solvents applied to modified cellulose

In this work, multiple extraction thermal desorption (METD), as a sample introduction method for GC, was developed. This technique was used for the determination of residual solvents (RS) in modified cellulose, because it is practically impossible to dissolve or distribute it uniformly in water and common organic solvents. Moreover, METD facilitates the optimization of the desorption time and it is more sensitive to quantify trace level volatiles in insoluble material, compared to direct dynamic desorption (DDD). In addition, METD provides diagnostic information about the sample-sorbent interaction. Three solvents (methanol, ethanol and tert-butanol) were determined in two types of modified cellulose (dialdehyde cellulose (DAC) and DAC-ethylenediamine (DAC-EDA)). It was shown that good linearity over a wide concentration range was achieved. The limits of detection (LOD) and limits of quantification (LOQ) for the different solvents ranged from 0.1 to 0.3 μg and from 0.3 to 0.9 μg per tube, respectively. Accuracy of the METD method was verified by using an alternative method based on the decomposition of the modified celluloses by Trichoderma reesei cellulase, followed by headspace-trap-GC (HS-trap-GC). The results obtained from the two validated methods were found to be similar (relative deviation < 17.0 %). However, the developed METD-GC method is preferable for the analysis of RS in modified cellulose since it does not require sample pretreatment and possesses higher sensitivity.

Iridoid glycosides from noni (Morinda citrifolia L.) fruit pomace: A novel booster strategy for its extraction and will its α-glucosidase inhibitory be increased by acetylation?

Iridoid glycosides (IGs) are secondary metabolites found in plants such as the noni plant (Morinda citrifolia L.), known for their diverse biological activities and potential health benefits. Herein, we screened fifteen natural deep eutectic solvents (NADES) and two conventional solvents (CS, 70% (V/V) methanol and 70% (V/V) ethanol) for extraction of IGs from noni fruit pomace. Our findings indicate that non-acidic NADES promote IG extraction. Glycerol/glycine combined with β-cyclodextrin was selected, and a molecular simulation was performed to elucidate the interaction between NADES components and IGs. Further, the structure-activity relationship and interaction mechanisms of IGs with α-glucosidase were investigated using multispectral and molecular docking tools. The results demonstrated that deacetylation of the B-ring's C-10 improved the inhibitory potential of IGs. Deacetylation produces hydrophobic contacts, which enhance the inhibitory effect of deacetylasperulosidic acid on α-glucosides. Additionally, hydrogen bonds and van der Waals forces drive the formation of non-covalent complexes between IGs and enzymes.

Analysis of different bioactive compounds in the tissue of the epigeic earthworm, Eisenia fetida

BackgroundEisenia fetida is the epigeic earthworm renowned for organic waste management in vermitechnology. The medicinal properties of earthworm biomass is gaining much more importance in extracting various biomolecules. Therefore, the present study was carried out to analyze the bioactive compounds of Eisenia fetida by using gas chromatography and mass spectroscopy analysis of four different solvent extract and highlighting their biological activities.ResultsThe analysis showed the presence of 17, 22, 21 and 18 bioactive compounds in chloroform, ethyl acetate, methanol and distilled water solvent extract, respectively. Each compound were analyzed based on their peak number, R-time and Base m/z values. The molecular formula, molecular weight, compound nature, their structure and biological activities were tabulated.ConclusionThe presence of a wide range of bioactive compounds in the epigeic earthworm, Eisenia fetida, justifies the pharmacological use in curing various diseases.

Fabrication of large surface area/Microrose-shaped Manganese (II) coordination polymer for evaluation of molecular docking, antibacterial and antioxidant Activity

We report the fabrication of Mn (II) chelate or coordination polymer (CPs) via condensation method for antioxidant and antibacterial performances. Tremendous effort has been directed toward design a scaffold multidentate organic ligand framework. One of interesting chelating ligand viz. Sebacoyl bis(2-ethoxybenzamide) (sebebz) was fabricated by condensation of 2-ethoxybenzamide and sebasic acid. Further, the CPs was fabricated by condensation of sebacoyl bis(2-ethoxybenzamide) with metal ions. As-fabricated multidentate ligand was analyzed by several analytical methods for confirm structural backbone in term of chemical bonding, donor atoms and existence of functional groups. Moreover, CPs was analyzed by XRD, FTIR, Raman, EDX, XPS, DRS, BET, SEM, and TEM for authenticate its structure, crystallite size, chemical bonding, elemental existence, porosity, surface area, sizes, and shape. The SEM revealed microrose-shaped structure of CPs with diameter around 20–30 µm, while BET revealed large surface area material (801 m2/g). Due to scaffold structure and effective functional group in CPs, it's molecular docking was evaluated for the purpose of microbial assay. The antimicrobial clinical assay of CPs was assessed against B. subtilis, S. aureus, K. pneumoniae and E. Coli. Also, α, α-diphenyl-β-picrylhydrazyl was used to evaluate antioxidant property of CPs in ethanolic and methanolic solvent.

Ultrasound-assisted deep eutectic solvents extraction of podophyllotoxins from Juniperus sabina L: Optimization, enrichment, and anti-drug resistant bacteria activity

Podophyllotoxin, along with its congeners and derivatives exhibit strong biological activity mainly as antitumor drugs and antiviral agents. Here, the ultrasound-assisted extraction of podophyllotoxins including α-peltatin, podophyllotoxin, podophyllotoxinone and deoxypodophyllotoxin from Juniperus sabina L. leaves using deep eutectic solvents (DESs) were developed first time. To simultaneously and effectively extract four target podophyllotoxins, 19 DESs were screened to determine the best solvent to extract podophyllotoxins. Choline chloride-lactic acid (1:1) with 30 % water content was proved to have the best extraction effect. The optimal extraction process with DES were DES/solid ratio 30 mL/g, reaction temperature 44℃, time 53 min and ultrasound power 495 W. Under optimized extraction conditions, the total podophyllotoxins extraction yield was 27.520 mg/g, 196.84 % higher than that using traditional methanol solvent. The yield of α-peltatin, podophyllotoxin, deoxypodophyllotoxin and podophyllotoxinone were 13.567, 9.548, 2.021, 2.204 mg/g, respectively. Subsequently, the podophyllotoxins were effectively isolated from the deep eutectic solvent using D101 macroporous resin. The optimal process for enriching target podophyllotoxins by D101 macroporous resin were as follows: 30 mg/mL of crude extract solution, five bed volumes feed volume for adsorption; six bed volumes of 80 % ethanol for desorption. Moreover, a scale-up enrichment experiment of podophyllotoxins was performed under optimum procedure, and the results showed that the target podophyllotoxins yield was increased by 8.92 times, with recoveries in the range of 75.86–85.69 %. Additionally, the enriched podophyllotoxins effectively restored the antibacterial efficacy of cefazolin against methicillin-resistant Staphylococcus aureus and colistin-resistant Escherichia coli, resulting in 16–64-fold reduction in MIC. Therefore, the method developed in this study could be an eco-friendly, efficient and sustainable alternative for the selective extraction and enrichment of active compounds from plant material.

Low-Viscosity Nonaqueous Sulfolane–Amine–Methanol Solvent Blend for Reversible CO2 Capture: Part II. Blend Optimization, Water Effect, and Speciation

Low-Viscosity Nonaqueous Sulfolane–Amine–Methanol Solvent Blend for Reversible CO₂ Capture: Part II. Blend Optimization, Water Effect, and Speciation

Evaluating the Efficacy of &amp;lt;i&amp;gt;Dieffenbachia picta&amp;lt;/i&amp;gt; (Araceae) Leaves Insecticidal Activity Against &amp;lt;i&amp;gt;Cimex lectularius &amp;lt;/i&amp;gt;in Arba Minch Town

The common bed bug, Cimex lectularius, is an age-old human parasite. Recognizing bed bugs as a significant public health concern, the Environmental Protection Agency highlights the need for effective strategies to address infestations and protect people&amp;apos;s well-being. Therefore, the aim of this investigation was to evaluate the efficacy of &amp;lt;i&amp;gt;Dieffenbachia picta&amp;lt;/i&amp;gt; leaf extracts against bedbugs under laboratory conditions. Insecticidal bio-assay and phytochemical analysis were performed using topical methods and a qualitative analytical protocol. This study demonstrated that extracts obtained from the dumb cane plant using various solvents (methanol, ethanol, distilled water, and acetone) exhibited significant insecticidal activity against bedbugs. Among the solvent extracts, the methanol extract showed a 100% mortality rate, the ethanol extract showed 80%, the acetone extract showed 80%, and the distilled water extract showed 70% mortality at a concentration of 1g/l. A mixture experimental design was used to investigate how the formulation components of the solvent extracts (methanol, ethanol, acetone, and distilled water) affected the synergistic effect and mortality rate. It was found that a combination of 25% methanol, 30% ethanol, 25% acetone, and 20% distilled water effectively demonstrated the optimal synergistic effect of the extracts against bedbug spp. In conclusion, this study demonstrates that extracts from &amp;lt;i&amp;gt;Dieffenbachia picta&amp;lt;/i&amp;gt; have the potential to serve as a natural solution for controlling bedbugs.

Elucidation of the solution structure of macrocyclic paritaprevir and exploration of its antitumor potential through molecular docking

Macrocyclic molecules have emerged as significant contenders in drug development and supramolecular chemistry. Paritaprevir is a 15-membered macrocycle approved for the treatment of chronic Hepatitis C virus infection. The structural flexibility inherent in paritaprevir enables the presentation of diverse conformational features in solutions, thereby influencing its binding pattern with proteins. In this paper, we investigated the structural characteristics of paritaprevir in protic solvents (methanol and trifluoroethanol) as well as an aprotic solvent (acetonitrile) by using experimental electronic circular dichroism spectra combined with density functional theory calculations. Our study reveals that paritaprevir can adopt different molecular conformations due to its flexible carbon chain and the solvent environment. Conformer B is particularly stable in polar solvents because of the planar hydrophobic interactions between the phenanthridine and methylpyrazine groups. Density functional theory calculations-assisted structural analyses further disclosed the weak noncovalent interactions within the stable conformations of paritaprevir. Molecular docking of paritaprevir on different cancer proteins showed that the macrocycle was highly selective against lymphoma, endometrial carcinoma, colorectal cancer, and breast cancer. This suggests that paritaprevir could potentially serve as a promising lead compound for drug design targeting these specific types of cancers. The comparison between the low energy conformation and pharmacophore conformation (docking conformation) indicates that conformer B is the primary pharmacophore conformation of paritaprevir, providing important macrocyclic structural characteristics for future macrocyclic drug development.