Methanol Solvent Research Articles

Computational-based investigation of antioxidative potential polyphenolic compounds of Salvia officinalis L.: combined DFT and molecular docking approaches.

The antioxidant properties of the three polyphenolic compounds (carnosol, cirsiliol, and luteolin) of Salvia officinalis L. were investigated employing the density functional theory (DFT) calculations at the B3LYP of basis set at 6-311 + + G (d, p) in order to evaluate their antioxidant activity. The enthalpies of reactions associated with the SET-PT, SPLET, and HAT mechanisms were analyzed in gas and in different solvents using the CPCM (conductor-like polarizable continuum) model. For all possible hydrogen donor sites, the corresponding parameters (BDE, AIP, PDE, PA, ETE, HOMOs, and LUMOs) and reactivity indices (IPE, EA, Χ, η, S, and ω) were also evaluated. The calculated results showed that derivatives 12-OH, 11-OH, 4'-OH, and 3'-OH had the lowest antioxidant activity. The results showed as well that carnosol, cirsiliol, and luteolin have higher reactivity compared to ascorbic acid and could be considered better antioxidants. According to research, the catechol group is crucial in influencing the studied compounds antioxidant activity. The theoretically predicted order of antioxidant efficiencies in this work agrees well with the QSAR (quantitative structure-activity relationship) data. The findings show that in the vacuum as well as benzene media. HAT would be the most effective mechanism; in contrast, the thermodynamic equilibrium approach in polar media is the SPLET mechanism. Likewise, the outcomes of the docking modeling confirm that the selected molecules have high inhibitory activity to glutathione-S-transferases (GSTs) receptors. Moreover, they have very important pharmacokinetic, chemical, and biological profiles. Finally, all the results show that the three natural molecules have good pharmacokinetic profiles, particularly the bioavailability and permeability toward biological membranes. The software packages used in this investigation are Gaussian 16, Discovery studio Visualizer, and AutoDock vina. The three compounds (carnosol, cirsiliol, and luteolin) of Salvia officinalis L. were optimized with DFT/B3LYP of basis set at 6-311 + + G (d, p). The optimized structures were established via vibrational analysis (i.e., no imaginary frequencies in the frequency set). All enthalpies were zero-point (ZPE) corrected. Vibrational frequency calculations were performed at 298.15K and 1 atmosphere pressure to determine the thermodynamic characteristics of the investigated reactions. The descriptors were associated with the antioxidant mechanisms for investigated molecules in vacuum and in various solvents. The molecular docking was used by AutoDock vina to estimate and evaluate the title compounds compatibility as potential antioxidant drugs utilizing appropriate receptor proteins. The solvation effect in the medium of benzene (ɛ = 2.27) and water (ɛ = 78.39) was taken into account. Furthermore, a methanol solvent (ɛ = 32.61) was also taken into consideration to compare with the empirical data.

Solanum aculeastrum Dunal berries: Phytochemical profiling and GC-MS analysis of methanolic extract and n-hexane, dichloromethane, ethyl acetate and n-butanol fractions

Background: Solanum aculeastrum is reportedly used in several diseases including gonorrhea, bronchitis, jigger infestations and wounds, and cancers. We conducted an exhaustive phytochemical and GC-MS profiling of its methanol extract and solvents’ fractions. Methods: About 4500g of dried berries of S. aculeastrum was extracted with methanol, part of which was partitioned into fractions of n-hexane, dichloromethane, ethyl acetate, n-butanol and aqueous fractions. These fractional preparations were subjected to phytochemical and GC-MS profiling except aqueous fraction. Results: The percentage yield of 430.69g of methanol extract of berries of S.aculeastrum was 9.57%w/w, while the yields of dried 19.4g of n-hexane, 38.4g of DCM, 6.4g of ethyl acetate, 81.03g of n-butanol and 21.2g of the freeze-dried aqueous fractions were 7.08%w/w, 14.03 %w/w, 2.33%w/w, 29.60%w/w and 7.74%w/w respectively. The relative presence of glycosides, alkaloids, tannins, flavonoids, terpenoids, phenols, saponins were confirmed except quinones. GC-MS profiling of methanol extract identified 32 compounds including alkane, alcohol, carbohydrate, fatty acids, terpenoids, glycerides, vitamins and some unclassified compounds. 25 compounds including terpenoids, alkene, fatty acids, vitamin and unclassified compounds were identified in n-hexane fractions. The DCM fraction yielded 20 compounds including isoprenoid, terpenoids, amino acids, carboxylic acid and unclassified compounds. 22 compounds were identified in ethyl acetate fraction including phenol, fatty acids, alcohol, terpenoids, glycerolipid and unclassified compounds. The n-butanol fraction yielded 11 compounds including fluorinated aromatic substance, hormonal antineoplastic and a non-steroidal anti-inflammatory agent. Conclusion: This study has further elaborated on the bioactive compounds in berries of S. aculeastrum, to aid robust understanding of its pharmacologic activities.

Influence of Genotype on Antioxidant Activity and Phenolic Profile of Fennel Bulbs

Currently, fennel bulb is becoming a highly demanded and consumed vegetable due to its licorice flavor and health benefits. Although the chemical composition of fennel essential oil has been extensively studied, the nonvolatile bioactive compounds of fennel bulbs have drawn less attention. Here, the phenolic profile and the antioxidant activity in terms of DPPH radical scavenging activity, reducing power, chelating ability of ferrous ions, and inhibition of lipid peroxidation were analyzed using four different fennel hybrid genotypes and three different extraction solvents (methanol, aqueous-methanol, and hot water). Antioxidant activity results revealed significant variation amongst fennel varieties (>3-fold difference for DPPH and reducing power and >2.7-fold for the inhibition of lipid peroxidation), with methanolic extracts exhibiting the highest antioxidant activity. Total phenol content peaked in the aqueous-methanol extracts, exhibiting a 2-fold difference across fennel genotypes. HPLC–PDA/MS analyses identified high levels of caffeic acid derivatives in hot water extracts, particularly in the commercial genotype. The therapeutic benefits associated with these compounds make it reasonable to use detailed phytochemical screening in fennel breeding programs to obtain varieties with new functionalities and thus higher added value.

Effects of Different Solvents on the Total Phenol Content, Total Flavonoid Content, Antioxidant, and Antifungal Activities of Micromeria graeca L. from Middle Atlas of Morocco.

Micromeria graeca L. is a dense chemical source of bioactive compounds such as phenolic compounds, which have various health-related properties. The current study aimed to investigate the impact of different extractor solvents on phenol and flavonoid contents, as well as the antioxidant and antifungal activities of different extracts. Initially, three extractor solvents (methanol, ethyl acetate, and water) were used to prepare the Soxhlet extracts, which were then examined for their polyphenolic content, flavonoid content, and antioxidant potential using three complementary assays (DPPH, FRAP, and TAC). The antifungal capacity against the two fungal strains (Candida albicans and Aspergillus niger) was performed using the method of diffusion on disc. The dosage of phytochemical compounds revealed that the highest values were established in water extract with values of 360 ± 22.1 mg GAE/g dry weight plant and 81.3 ± 21.2 mg RE/g dry weight plant for TPC and TFC, respectively. In addition, the strongest antioxidant activity measured by DPPH and FRAP assays was established in water extract with IC50 values of 0.33 ± 0.23 and 0.23 ± 0.12 mg/mL, respectively, while the methanol extract showed the best antioxidant activity as measured by TAC with an IC50 of 483 ± 17.6 mg GAEq/g dry weight plant. The water extract recorded the most important antifungal activity against Candida albicans with an inhibition zone of 16 ± 1.6 mm and MFC = 500 μg/mL, whereas ethyl acetate extract showed the lowest activity against both studied fungi strains. Micromeria graeca L. contains considerable amounts of bioactive contents with high antioxidant and antifungal potentials, which may make it a promising source of antioxidants and natural antifungal agents.

Antifungal Activity of Various Plant Extracts against Aspergillus and Penicillium Species Isolated from Leather-Borne Fungus

This investigation aims to examine the antimicrobial properties of a few types of medicinal plants on fungi transmitted by leather. In the soxhlet method, the antifungal agents were successfully extracted from the leaves of Azadirachta indica, Lantana camara, Wedelia chinensis, Moringa oleifera and Coccinia grandis using methanolic solvent. The fungus isolates from leather bags, shoes and wallets were cultured in Potato Dextrose Agar (PDA) plates. The two leather-borne fungi Aspergillus sp. and Penicillium sp. were the targets of the antifungal assay. Here plant extracts were applied in concentrations of 5.0%, 10.0% and 15.0%. Azadirachta indica, Moringa oleifera and Lantana camara extract were the most successful treatments for inhibiting the controlled growth of the fungi under this investigation. Furthermore, it is stated that the pathogenic fungi's capacity to proliferate increases with the concentration of plant extracts in the culture. This two-plant showed promising results in treating two cases of fungus, suggesting that it may be used to treat fungi carried by leather.

Study on the adsorption of 2,4-dichlorophenoxyacetic acid on silver doped carbon nanotube using tight-binding quantum chemical method

The GFN2-xTB tight-binding quantum chemical method was utilized to investigate the adsorption ability of 2,4-dichlorophenoxylacetic acid (2,4-D) on pristine single-walled carbon nanotube (CNT) and silver-doped carbon nanotube (Ag-CNT). The effects of solvents (water, methanol, and acetonitrile) on the adsorption process were evaluated via the linear Poisson-Boltzmann analysis algorithm. The analysis of ionization energy, electron affinity, and global electrophilic indexes indicates that Ag doping alters the electronic properties of CNT through the formation of Ag-C chemical bonds. While the adsorption process of 2,4-D on pristine CNT is primarily of a physical nature, the adsorption on Ag-CNT involves chemical adsorption facilitated by the formation of Ag-Cl and Ag-O bonds. Contributions from non-covalent interactions (such as π-π stacking, van der Waals interactions, etc.) were analysed and clarified through the computation of the reduced density gradient. Our findings suggest that Ag-CNT has significant potential as a material for the adsorption and remediation of 2,4-D.

Antibacterial Effectiveness Test of Methanol Extract of Red Galangal Rhizome (Alpinia purpurata (Vieill) K. Schum) Against Streptococcus pyogenes and Klebsiella pneumonia Bacteria

Red galangal rhizome (Alpinia purpurata (Vieill) K. Schum) is a medicinal plant belonging to the family Zingiberaceae. Red galangal rhizomes have antibacterial benefits because they contain active substances such as flavonoids, saponins, triterpenoids, alkaloids, and tannins. Streptococcus pyogenes causes bacterial infections of the skin and upper respiratory tract, while Klebsiella pneumonia is the bacteria that causes pneumonia. This study aims to determine the antibacterial effectiveness of methanol extract of red galangal rhizomes (Alpinia purpurata (Vieill) K. Schum) against Streptococcus pyogenes and Klebsiella pneumonia bacteria. This research is an experimental laboratory with a post-test-only controlled group design. Red galangal rhizomes were extracted using methanol solvent and tested for antibacterial effectiveness using the well method. There were 6 groups in the study, namely the chloramphenicol positive control group, the distilled water negative control group, and the 20%, 40%, 60%, and 80% concentration groups. The largest inhibition zone diameter was found at a concentration of 80%, with an average of 25.50 mm in Streptococcus pyogenes bacteria and 28.73 mm in Klebsiella pneumonia bacteria. In conclusion, methanol extract of red galangal rhizome (Alpinia purpurata (Vieill) K. Schum) effective against bacteria Streptococcus pyogenes and Klebsiella pneumonia.

Reusable Cu‐Poly(4‐vinylpyridine‐co‐ethylbenzene) Complex as Catalyst for Chan‐Lam C−N Cross Coupling

AbstractA novel heterogeneous polymer supported catalyst Cu‐PVPEVB has been developed by complexation of CuI in the matrix of the polymer poly(4‐vinylpyridine‐co‐ethylvinylbenzene). Characterization of the catalyst using different spectroscopic techniques revealed that the copper metal is bound through the pyridine substructure of the polymer. The versatility of the catalyst was established by utilizing it for Chan‐Lam coupling reactions in an eco‐friendly solvent methanol. High yields of C−N cross coupled products are obtained within a short time in presence of K2CO3 and 10 weight % of the catalyst having 13.6 weight % of copper. The catalyst could be recovered after carrying out the reaction by simple filtration and reused. Additionally, among a variety of N‐functionalized products synthesized during this study, an N‐phenyl isatin derivative was found to be promising candidate as a fluorescent probe for detection of the Hg2+ ion in aqueous acetonitrile solution.

IgG glycopeptide enrichment using hydrophilic interaction chromatography-based solid-phase extraction on anaminopropyl column.

The sample preparation step is pivotal in glycoproteomic analysis. An effective approach in glycoprotein sample preparation involves enriching glycopeptides by solid-phase extraction (SPE) using polar stationary phases in hydrophilic interaction liquid chromatography (HILIC) mode. The aim of this work is to show how different experimental conditions influence the enrichment efficiency of glycopeptides from human immunoglobulin G (IgG) on an aminopropyl-modified SPE column. Different compositions of the elution solvent (acetonitrile, methanol, and isopropanol), along with varying concentrations of elution solvent acidifiers (formic and acetic acid), and different concentrations of acetonitrile for the conditioning and washing solvents (65%, 75%, and 85% acetonitrile) were tested to observe their effects on the glycopeptide enrichment process. Isopropanol proved less effective in enriching glycopeptides, while acetonitrile was the most efficient, with methanol in between. Higher formic acid concentrations in the elution solvent weakened the ionic interactions, particularly with sialylated glycopeptides. Substituting formic acid with acetic acid led to earlier elution of more glycopeptides. The acetonitrile concentration in conditioning and washing solutions played a key role; at 65% acetonitrile, glycopeptides were not retained on the SPE column and were detected in the flow-through fraction. Ultimately, it was proven that the enrichment method was applicable to human plasma samples, resulting in a significant decrease in the abundances of non-glycosylated peptides. To the best of our knowledge, this study represents the first systematic investigation into the impact of the mobile phase on glycopeptide enrichment using an aminopropyl-modified SPE column in HILIC mode. This study demonstrates the substantial impact of even minor variations in experimental conditions, which havenot yet beenconsidered in the literature, on SPE-HILIC glycopeptide enrichment. Consequently, meticulous optimization of these conditions is imperative to enhance the specificity and selectivity of glycoproteomic analysis, ensuring accurate and reliable quantification.

Zinc(II)-MOF: A Versatile Luminescent Sensor for Selective Molecular Recognition of Flame Retardants and Antibiotics.

An exceptional Zinc(II)-organic framework with the formula [{Zn(L4-py)(bdc)}·DMF]n (Zn-MOF) has been constructed solvothermally using a novel linker L4-py {2,7-bis(3-(pyridin-4-ylethynyl)phenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone}, coligand H2bdc (1,4-benzenedicarboxylic acid), and ZnBF4·xH2O. The ligand L4-py has been fabricated after functionalization of NDA (1,4,5,8-naphthalenetetracarboxylic dianhydride) core with 3-(pyridin-4-ylethynyl)phenyl group. The single-crystal X-ray analysis reveals that Zn-MOF exhibits a comprehensive three-dimensional (3D) framework architecture and features (4)-connected uninodal dia; 4/6/c1; sqc6 topology with point symbol {66} and two-dimensional (2D) + 2D, parallel polycatenation. Notably, Zn-MOF displayed excellent fluorescence phenomenon and stability in water as well as in methanol solvents and was harnessed as a versatile sensor, demonstrating selective and sensitive molecular recognition of flame retardants and antibiotics. Notably, Zn-MOF displayed 57 and 49.5% quenching efficiency for the flame-retardant pentabromophenol (PBP) and 3,3',5,5'-tetrabromobisphenol A (TBPA), respectively. Whereas an outstanding 90% quenching efficiency was observed for antibiotics, tetracycline (TC) and secnidazole (SD). The mechanistic investigations of this luminescence quenching suggest that this might be primarily occurring via the Fourier resonance energy transfer (FRET) and photoinduced electron transfer (PET) mechanisms, which might be assisted by the competitive absorption and host-guest interactions. The π-electron-rich framework structure of sensor Zn-MOF activates this mechanism.

Insight into the nucleation behavior of tiamulin hydrogen fumarate methanol solvate in methanol-ethyl acetate binary mixtures

To investigate the nucleation behavior of tiamulin hydrogen fumarate methanol solvate (THFMS), the solubility, induction time, and metastable zone width (MSZW) of THFMS in methanol-ethyl acetate binary mixtures were measured. The nucleation potential model, which is based on the classical nucleation theory and correlates the induction time and MSZW, has been employed to deal with the experimental data and estimate the interfacial energy and the critical nucleation potential. The estimated values determined from the nucleation potential model are in accordance with the experimental values. The interfacial energy and the critical nucleation potential of THFMS steadily decrease with the increasing saturation temperature, whereas those of THFMS initially decrease and subsequently increase as the ethyl acetate content increases. The results demonstrate that an increase in saturation temperature leads to enhanced nucleation favorability, while the difficulty of nucleation initially decreases and then increases with increasing ethyl acetate content. Furthermore, the critical nucleation parameters, including the critical Gibbs free energy, the critical nucleus size, and the critical number of molecules in a nucleus, exhibit the same trend in alterations regarding both saturation temperature and ethyl acetate content.

Influence of various cooking treatments and extraction solvents on bioactive compounds and antioxidant capacities of bottle gourd (Lagenaria siceraria) fruit in India

Bottle gourd is a good source of health-beneficial bioactive substances. This research aimed at evaluating the effect of different cooking methods (pressure cooking, microwaving, and frying) and extraction solvents (methanol, ethanol and butanol) on bottle gourd fruit phenolic compounds and antioxidant capacity. The quantitative estimation of polyphenolic compounds, flavonoids and tannins was estimated by spectrophotometric methods. The antioxidative properties were evaluated using ferric thiocyanate (FTC), thiobarbituric acid (TBA), ferric reducing antioxidant power (FRAP) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) tests using the standard methods. Moreover, quantification of individual polyphenols was carried out by high-performance thin layer chromatography (HPTLC) technique. Frying and pressure-cooking thermal treatments were observed to be the best methods for retaining bioactive molecules. When compared to the raw counterpart, the retention level of total phenol content (TPC) in pressure cooked and fried samples was 23.8% and 13.3%, respectively. Similarly, antioxidant capacity in terms of FRAP was observed to increase by 47.26% after pressure cooking and 28.50% after microwave cooking in respect to the raw sample. The HPTLC results showed that this fruit has high antioxidant capacity and is rich in phenolic acid [gallic(17.83 mg g−1dwb), p-coumaric (6.70 mg g−1dwb)and vanillic (60.66 mg g−1dwb] and flavonoids [quercetin (24.64 mg g−1dwb) and myrecetin (20.73 mg g−1dwb].The chromatography indicated destruction and transformation of new phenolic compounds due to heat treatments. The correlation analysis revealed that flavonoids were much more responsible for their antioxidant activity. Cooking methods and extraction solvents affected the retention and recovery of polyphenolic compounds available in bottle gourd fruit. These findings offer valuable information for optimizing cooking techniques to preserve and enhance the nutritional and antioxidant properties of bottle gourd, making it a valuable fruit for a healthy diet. Pressure cooking could be the most suitable cooking treatment as far as retention of bioactive compounds like phenolic acids is concerned.Graphical

Optimizing the Solvent Selection of the Ultrasound-Assisted Extraction of Sea Buckthorn (Hippophae rhamnoides L.) Pomace: Phenolic Profiles and Antioxidant Activity

Sea buckthorn pomace (SBP) is a by-product of sea buckthorn processing that is rich in bioactive compounds. In this study, different active ingredients were extracted by using different solvents (water, methanol, ethanol, glycerol, ethyl acetate, and petroleum ether) combined with an ultrasonic assisted method. The correlation between the active ingredients and antioxidant properties of the extract was studied, which provided a research basis for the comprehensive utilization of SBP. This study revealed that the 75% ethanol extract had the highest total phenolic content (TPC) of 42.86 ± 0.73 mg GAE/g, while the 75% glycerol extract had the highest total flavonoid content (TFC) of 25.52 ± 1.35 mg RTE/g. The ethanol extract exhibited the strongest antioxidant activity at the same concentration compared with other solvents. The antioxidant activity of the ethanol, methanol, and glycerol extracts increased in a concentration-dependent manner. Thirteen phenolic compounds were detected in the SBP extracts using UPLC-MS/MS analysis. Notably, the 75% glycerol extract contained the highest concentration of all identified phenolic compounds, with rutin (192.21 ± 8.19 μg/g), epigallocatechin (105.49 ± 0.69 μg/g), and protocatechuic acid (27.9 ± 2.38 μg/g) being the most abundant. Flavonols were found to be the main phenolic substances in SBP. A strong correlation was observed between TPC and the antioxidant activities of SBP extracts. In conclusion, the choice of solvent significantly influences the active compounds and antioxidant activities of SBP extracts. SBP extracts are a valuable source of natural phenolics and antioxidants.

Synthesis of New Glycosylamine Derivatives based on Carbohydrates

Background: Glycosylamine play an important role in living organisms. Most plants store their chemical resources in the form of inactive glycosides, which are broken down and con-verted into sugar in the body of herbivores by hydrolyzing enzymes. Glycosylamine are obtained from the secondary metabolism of plants and consist of two parts. One part of it contains sugar like glucose and is inactive in most substances, and has a good effect on the solubility of the glycosyla-mine derivatives and its absorption and even its transfer from one organ to another. The therapeutic effect is related to the second part, which is called aglycan (or aglucan). Glycosylamine derivatives form a large group of valuable medicinal substances, which at the same time include some of the most dangerous and toxic substances in nature. These substances are present in many groups of flowering plants. Glycosides are made in different ways in different metabolic pathways. These materials have a complex and special chemical structure and leave special effects on the human body. Glycosylamine derivatives are called O-glycosid, N-glycosid, S-glycosid in terms of atoms coupling to anomeric carbon. Carbohydrate esterification reaction to prepare new glycosylamine derivatives is one of the most important carbohydrate reactions. The anomeric position of carbohy-drates with strong leaving groups is very important for the preparation of glycosides. Preparation of glycosylamine derivatives based on acetylated carbohydrates is the main purpose of this article. Dif-ferent carbohydrates were acetylated under mild conditions and high yields. The anomeric position was deacetylated by a magnesium oxide heterogeneous catalyst in methanol solvent. In order to pre-pare new glycosides acetylated/ deacytylated carbohydrate reacted with N-Methyl-(naphtha-2-ylmethoxy)amine. The final product was identified by various spectroscopic methods. Methods: Anhydrous sodium acetate (4 g) and α-D-glucose (28 mg, 5 g) were mixed. The mixture was transferred to a 200 ml Round-bottom flask . Acetic acid (260 mg, 25 ml) was added to the reaction mixture. The reaction mixture was heated in a boiling water bath for 2 h until complete dissolution of the glucose. Then 100 ml of ice was added. After 1 hour, White crystals formed and were washed with cold water. And then 1 mol of glucose pentaacetate per 50 ml of methanol was dissolved by a magnetic stirrer. After thatMgO (0.2gr) was added to the reaction mixture. The re-action mixture was refluxed at room temperature within 4-5 hours. After 5 hours, the solvent was removed and separated by chromatography. It is then washed with hexane and crystallized by ether-hexane. And the final step reacted with N-Methyl- (naphtha-2-ylmethoxy) amine in order to prepare new glycosylamine derivatives. Results: Magnesium oxide in methanol solvent is one of the best effective catalysts in the deacetyla-tion of the anomer position of acetylated carbohydrates. It is done under ambient temperature and in very easy conditions and makes carbohydrates susceptible to extensive chemical reactions. One of these reactions is the formation of glycosides. Various carbohydrates are acetylated by acetic anhy-dride in the presence of sodium acetate, and the anomeric position is deacetylated by a heterogeneous catalyst. In order to prepare N-glycoside, the glycosides are reacted with N-alkoxy N-methylglycosyl amine. The final products are identified by various spectroscopic methods. Conclusion: Glucose, mannose, for example, were acetylated by acetic anhydride in the presence of sodium acetate. And the anomeric position of pentaacetate glucose was selectively deacetylated with magnesium oxide in a methanol solvent. Then, the reaction for the preparation of glycosylamine de-rivatives was carried out under very mild and easy conditions. The aminoglycosides synthesized in this article are used as raw materials for the synthesis of a wide range of antibacterials.

POTENSI ANTIINFLAMASI EKSTRAK BATANG WUNDU WATU (Alpinia monopleura) TANAMAN ENDEMIK ASAL SULAWESI TENGGARA SECARA IN VITRO

The wundu watu plant (Alpinia monopleura), is one of the endemic plants typical of Southeast Sulawesi which is commonly found in South Konawe Regency. The results of previous research on the essential oil content of the leaves and fruit of wundu watu are α-caryophyllene, β-pinene, limonene, α-pinene, β-caryophyllene and caryophyllene oxide. The essential oils of the leaves and fruit show antibacterial, antioxidant and anti-inflammatory properties. Pharmacological studies of this plant are not widely known, especially its efficacy as an anti-inflammatory. The purpose of this study was to determine the anti-inflammatory potential of extracts and fractions of wundu watu stem against inhibition of protein denaturation in Vitro. Wundu watu stem extract was extracted by maceration method using methanol solvent and ethyl acetate fraction. Anti-inflammatory testing using the protein denaturation inhibitor method using bovine and albumin and measured on a UV-Vis Spectrophotometer at a wavelength of 660 nm. The results showed that the extract and ethyl acetate fraction of wundu watu stem had anti-inflammatory activity with IC50 values of 10.59 mg/L and 2.02 mg/L. Based on the test results, it can be concluded that the stem extract of wundu watu has anti-inflammatory potential against protein denaturation with a very strong category.

In-silico and in-vitro evaluation of antifungal bioactive compounds from Streptomyces sp. strain 130 against Aspergillus flavus

Streptomyces spp. are considered excellent reservoirs of natural bioactive compounds. The study evaluated the bioactive potential of secondary metabolites from Streptomyces sp. strain 130 through PKS-I and NRPS gene-clusters screening. GC-MS analysis was done for metabolic profiling of bioactive compounds from strain 130 in the next set of experiments. Identified antifungal compounds underwent ADMET analyses to screen their toxicity. All compounds’ molecular docking was done with the structural gene products of the aflatoxin biosynthetic pathway of Aspergillus flavus. MD simulations were utilized to evaluate the stability of protein-ligand complexes under physiological conditions. Based on the in-silico studies, compound 2,4-di-tert butyl-phenol (DTBP) was selected for in-vitro studies against Aspergillus flavus. Simultaneously, bioactive compounds were extracted from strain 130 in two different solvents (ethyl-acetate and methanol) and used for similar assays. The MIC value of DTBP was found to be 314 µg/mL, whereas in ethyl-acetate extract and methanol-extract, it was 250 and 350 µg/mL, respectively. A mycelium growth assay was done to analyze the effect of compounds/extracts on the mycelium formation of Aspergillus flavus. In agar diffusion assay, zone of inhibitions in DTBP, ethyl-acetate extract, and methanol extract were observed with diameters of 11.3, 13.3, and 7.6 mm, respectively. In the growth curve assay, treated samples have delayed the growth of fungi, which signified that the compounds have a fungistatic nature. Spot assay has determined the fungal sensitivity to a sub-minimum inhibitory concentration of antifungal compounds. The study’s results suggested that DTBP can be exploited for antifungal-drug development. Communicated by Ramaswamy H. Sarma

EFFECT OF DIFFERENT SOLVENT EXTRACTS ON THE YIELD AND IN VITRO ANTIBACTERIAL ACTIVITY, WITH GC-MS ANALYSIS OF ACTIVE EXTRACTS FROM VERNONIA AMYGDALINA LEAVES

Vernonia amygdalina, commonly known as ‘Bitter leaf’, is a small perennial shrub with various medicinal properties including the treatment of stomach disorders, fever symptoms, diabetes, hypertension, and coughs. V. amygdalina is a potent source of antibacterial properties that may be beneficial in preventing bacterial infections and associated diseases such as fever and diarrhea. V. amygdalina also has been extensively studied for its antioxidant, anti-inflammatory, antifungal, anticancer and antidiabetic properties. The present study aims to determine the most efficient solvent for extracting antibacterial-rich V. amygdalina extracts. Dried leaves of V. amygdalina were extracted using several solvents (methanol, ethanol, and dichloromethane) to assess the extraction yield. The antibacterial potential of all extracts against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa was evaluated using the agar disc diffusion assay. The profiling of the active extract was accomplished using gas chromatography coupled with mass spectrometry (GC-MS). Among the solvents tested, ethanol exhibited the highest extraction productivity, with a percentage yield of 49.20%. The dichloromethane extract displayed the highest inhibition zones against all bacteria strains ranging from 16.67 ± 1.20 mm to 21.33 ± 0.5 mm at 200 mg/mL. The GC-MS analysis of dichloromethane extract identified compounds such as phytol, flavonoids, vitamin E, and squalene. The findings of this study revealed that the choice of the extraction solvent is greatly affecting the antibacterial efficacy of V. amygdalina. In conclusion, the efficacy of V. amygdalina against pathogenic bacteria strains could be explored for further pharmaceutical application and should be encouraged in the development and production of new antibiotics.

Phytochemical Screening and Quantitative Determination of Antioxidant Properties of Watermelon Rinds and Seeds

In this present age of food insecurity, it is essential to source for agricultural waste that can be nutritionally beneficial to humans and animals. Watermelon rinds and seeds are regarded as agricultural wastes which need to be utilized for human and animal nutrition. This research work is aimed at examining the extractive values, qualitative and quantitative determination of phytochemicals and antioxidants properties in watermelon rinds and seeds and their solvent extracts using six different solvents. The rinds and seeds of watermelon fruits were obtained, rinsed, cut into smaller pieces, air-dried, ground into powdery sample, and sieved with 40 mm mesh size. 20 g each of sample was extracted using 200 mL of six different solvents (acetone, chloroform, ethyl acetate, ethanol, methanol and water) for 72 h. Each solvent extract was screened for twelve phytochemicals (flavonoid, phenol, reducing sugar, tannin, saponin, alkaloid, volatile oil, quinone, cardiac glycoside terpenoids, steroids and phlobatannin). The extractive values of watermelon rinds ranged from 1.51±0.26% to 13.56±0.20% while that of watermelon seeds ranged from 3.54±0.16% to 10.17±0.19% in all the six solvents used. Acetone and methanol had the higher extractable phytochemicals (41.67%) in watermelon rinds while methanol, ethyl acetate and ethanol (58.33 – 66.67%) had the highest extractable phytochemicals in watermelon seeds. Water and methanol extracts of watermelon rinds had higher total phenol, DPPH and Iron (Fe2+) chelation assay than raw sample of watermelon rinds. Water and methanol extracts of watermelon rinds had higher iron (Fe2+) chelation assay and ferric reducing antioxidant power (FRAP) than raw sample of watermelon seeds. Methanol extract of watermelon seeds had higher total flavonoid, total phenol and DPPH than raw sample of watermelon seeds.

High-performance liquid chromatographic enantioseparation of azole analogs of monoterpene lactones and amides focusing on the separation characteristics of polysaccharide-based chiral stationary phases

High-performance liquid chromatography-based enantioseparation of newly prepared azole analogs of monoterpene lactones and amides was studied. Effects of additives and mobile phase composition were evaluated both in normal and polar organic modes. Applying amylose tris-(3,5-dimethylphenylcarbamate) selector in normal and polar organic modes acid and base additives were found to affect the peak profiles, without significantly influencing the enantiorecognition ability of the studied selector. In most cases, differences observed in retention times and enantioselectivities were lower than 10 and 20 % under normal phase and polar organic conditions, respectively. Under normal phase conditions decreased retention was observed for all the studied analytes with increased eluent polarity. Interestingly, enantioselectivity was only slightly (<10 %) influenced by the variation in the n-hexane/2-propanol ratio between 80/20 and 20/80 v/v. In polar organic mode, five different neat solvents (acetonitrile, methanol, ethanol, 1-propanol, and 2-propanol) were tested, and the best results were obtained with acetonitrile and ethanol in the case of Lux Amylose-1 column with enantioresolutions most often above 2. Based on results obtained with amylose and cellulose-based columns the amylose tris-(3,5-dimethylphenylcarbamate) selector is found to offer a superior performance both in normal and polar organic modes. When evaluating the possible effects of the selector immobilization, no striking differences were found in the normal phase. Usually, enantioselectivities and resolutions were higher (10–20 %), while retention factors of the first peaks were lower (20–30 %), on the coated-type column. In contrast, in polar organic mode, the retention characteristics and enantiorecognition ability of the coated and immobilized selectors were heavily affected by the nature of the polar solvent.Special attention has been paid to the history-dependent behavior of polysaccharide-based selectors. A confidence interval-based evaluation is suggested to help comparison of the histereticity observed in different systems. Several examples are shown to confirm that the recently discovered hysteresis is a common characteristic of polysaccharide-based selectors.

The effect of lactic acid fermentation on the phytochemical content of fig leaf extracts compared to single solvent and sequential solvents extraction

The aim of this study was to compare the antioxidant, natural products, and polyphenolic profiles of Ficus carica L. leaf extracts obtained with a sequential solvent extraction (n-hexane, dichloromethane, ethyl acetate, and methanol), a single solvent extraction with one of three different solvents (methanol, ethanol and ethyl acetate), and a fermentation assisted extraction. Extracts were assessed by high-performance thin-layer chromatography (HPTLC) fingerprinting pattern (before and after derivatization with DPPH free radical, anisaldehyde-sulfuric acid reagent and ferric chloride) and with ATR-FTIR phytochemical profiling. The results show that sequential solvents extraction may maximise the extraction of natural products, especially polyphenolics. However, the highest antioxidant activity was achieved with a single solvent extraction with ethyl acetate. Furthermore, fermentation assisted extraction further improves extraction of antioxidants when compared to single extraction from nonfermented material. In conclusion, brining and spontaneous lactic acid fermentation of plant material is a highly desirable method for improving the functional properties of extracts due to its low cost and low energy requirements.