Optimisation and molecular dynamics simulation of mangiferin from mahkota dewa (Phaleria macrocarpa) extract in subcritical water extraction process

Mahkota Dewa (Phaleria Macrocarpa) is one of the popular herbal plants that possess numbers of bioactive compounds such as mangiferin, saponin and polyphenols. Mangiferin for instance, has various complementary and alternative medicine (CAM) application including antidiabetic, anti-HIV, anti-cancer and immunomodulatory. This study was conducted with the objectives to extract and characterise the mangiferin obtained from subcritical water extraction (SWE) process as well as simulate the molecular interactions behaviour between water and mangiferin. The extraction parameters namely solid to solvent ratios, temperature and time were screened using One-Factor-At-A-Time (OFAT) and followed by optimisation using Box-Behnken design. In screening, the solid to solvent ratios, temperature and time were varied from 30 g/L to 70 g/L, 50 °C to 150 °C and 3 h to 7 h, respectively. In optimisation the process parameters were set at 50 g/L to 70 g/L, 75 °C to 120 °C and 4 h to 6 h which generated total number of 17 experiments including five center points. The extracts were analysed using high performance liquid chromatography (HPLC) for quantification of mangiferin yields and further characterized using liquid chromatography mass spectrometry (LCMS), scanning electron microscopy (SEM), total phenolic content (TPC), antioxidant DPPH radical-scavenging activity and cytotoxicity MTT-assay. The molecular dynamic simulations were performed under NVT ensemble for 1000 ps and NPT ensemble for 1000 ps with time step of 1.0 fs using Accelrys Material Studio® 7.0 software with COMPASS force field. The intermolecular interaction of mangiferin and water were simulated at the temperature of 50 °C, 75 °C, 100 °C, 125 °C and 150 °C, whereas the simulation for optimised condition were compared with literature. The OFAT results show that the highest yield of mangiferin (15.9213 ± 0.11 w/w%) was obtained at 60 g/L, 100 °C, and 5 h. The optimization results show that the developed quadratic model is adequately fitted with the experimental data with R2 and R2adj value of 0.9883 and 0.9722, respectively. The optimum mangiferin yield of 16.5123 w/w% was obtained at solid to solvent ratios of 57.80 g/L, temperature of 106.7 °C and extraction time of 5 h with 1.9 % deviation from predicted mangiferin yield. The total phenolic content value for screened conditions was 122.60 ± 1.07 mg GAE/mg while optimised conditions recorded 124.88 ± 1.09 mg GAE/g. Antioxidant activities for both screened and optimised Mahkota Dewa fruits extracts was found to have moderate reducing power activity (IC50) at 78.85 μg/ml and 63.49 μg/ml, respectively in comparison with ascorbic acid. This study also revealed that both screened and optimised Mahkota Dewa fruits extracts was found to have moderate reducing power activity with value of 28.23 ± 0.184 μg/ml and 25.63 ± 0.193 μg/ml, respectively towards MCF-7 cell line. The findings from molecular dynamic simulation studies shows that the density, radial distribution functions (RDFs) and diffusion coefficient calculated for all system are comparable to the literature and thus verify the method used. A strong hydrogen bonding between solvent-solute can be seen as the temperature increased and led to greater solubility values and it was identified that strong hydrogen bonding formed between mangiferin and water by OH2OHMR4(OH1) interaction. Overall, this study had successfully screened and optimised the extraction of mangiferin from Mahkota Dewa fruits through experimental and computational approach. The outcome is crucial in determining the optimum operating temperature in extracting mangiferin, besides through computer simulation this process has been studied microscopically

Menhaden fish oil encapsulation by spray drying process: influence of different biopolymer materials, inlet air temperature and emulsion ratios

BACKGROUND: Incorporating fish oils into commonly consumed foods is an emerging technique for increasing the daily intake of omega-3 fatty acid. However, the high vulnerability of fish oil towards oxidative deterioration reduces shelf life stability. Microencapsulation by spray drying with different combinations of biopolymers and other parameters may provide a solution by preventing further oxidation of fish oil and permitting its delivery to food items. This study emphasised the influence of developed biopolymer materials (maltodextrin, maltodextrin + gum arabic, maltodextrin + starch, maltodextrin + whey pro- tein isolates and maltodextrin + sodium caseinate) for emulsion formulation, inlet air temperature (160, 170, 180, 190 and 200 °C) and emulsion ratios (15, 20, 25, 30 and 35%) on the physicochemical properties of powdered menhaden fish oil by spray drying technique. RESULTS: Microencapsulated menhaden fish oil was evaluated for its moisture content, size distribution, microcapsule effi- ciency, peroxide value, free fatty acid, acid value and morphological structure. It was observed that the coating materials of maltodextrin + whey protein isolates gave the lowest moisture content and peroxide value of 4.410% and 4.031 mEq kg−1, respectively. The morphological images showed a smooth surface with no cracks and minimal shrinkage, indicating lower per- meability to gases and effectively protecting the oil against deterioration. CONCLUSION: The spray drying procedure using maltodextrin + whey protein isolates at an inlet air temperature 190 °C and emulsion ratio of 30% successfully produced fish oil microcapsules with improved properties

Intensification of phenolic content and antioxidant activity of extract from red pitaya (hylocereus polyrhzius) peel

Red Pitaya (Hylocereus polyrhizus) is widely known for number of health benefits including cholesterol- lowering effects, protection against diabetes and cancer. This paper presents the study on extraction of phenolic compound and antioxidant activity from Red Pitaya peel using ultrasonic-assisted extraction (UAE) process with water as a solvent. The amount of phenolic compound and antioxidant activity in the extracts were studied at different sonication temperatures (25�80 °C) and ultrasonic powers (200�600 W) with constant frequency of 50 kHz. The extracts were analysed using High- Performance Liquid Chromatography (HPLC) and 1, 1- Diphenyl-2-picrylhydrazyl (DPPH) assay. The results showed that the extractions yield increases with the increases of extraction temperature and power. These changes are probably due to the cavitation activity that occurred during transmission of ultrasonic waves in the solvent. Temperature of 40 oC and ultrasonic power of 200 W recorded most suitable extraction conditions with total phenolic content (TPC) of 2.5084 mg/ml and high antioxidant activity of 4.5052%. The result from this study maybe useful to identify the suitable gradient condition of ultrasonic-assisted extraction and operating conditions to extract high phenolic compound and antioxidant activity from Red Pitaya’s peel

Effect of spray drying parameters on the physicochemical properties and oxidative stability of oil from menhaden (Brevoortia spp.) and Asian swampeel (Monopterus albus) oil extract microcapsules

This work investigated the effect of spray drying parameters on the physicochemical properties and oxidative stability of oil from menhaden (Brevoortia spp.) and Asian swamp eel (Monopterus albus) oil microcapsules. Different emulsion formulations (Maltodextrin - MD, Maltodextrin+Gum Arabic - MD+GA, and Maltodextrin+Starch - M+S), inlet air temperatures (180, 190, and 200 °C), and feed flow rates (280, 382, and 485 mL/h) were applied to microencapsulate Brevoortia spp. oil. The best operating parameters were then used to microencapsulate the Monopterus albus oil. The moisture content, MC (%), peroxide value, PV (mEq/kg), free fatty acid, FFA (%), acid value, AV (mg KOH/g) and the morphology of the microcapsules were then evaluated. The Brevoortia spp. oil microcapsules produced with the Maltodextrin+Gum Arabic emulsion formulation, inlet air temperature of 200 °C, and feed flow rate of 280 mL/h showed the lowest moisture content, peroxide value, free fatty acid, and acid value of 9.145%, 3.293 mEq/kg, 4.891%, and 2.981 mg KOH/g, respectively. Using similar parameters, the microencapsulation of the Monopterus albus oil extract recorded a moisture content, peroxide value, free fatty acid, and acid value of 8.432%, 2.713 mEq/kg, 4.911%, and 2.871 mg KOH/g, respectively. In conclusion, improved physicochemical properties and oxidative stability of Monopterus albus oil extract microcapsules were achieved using the Maltodextrin+Gum Arabic emulsion formulation and spray drying at a high air inlet temperature of 200 °C and a low feed flow rate of 280 mL/h

Extraction of Bioactive Compounds (Mangiferin) from Mahkota Dewa (Phaleria macrocarpa) Fruits Using Subcritical Water: Effect of Process Parameters on Extraction Yield

Mahkota Dewa (Phaleria macrocarpa) is a popular herbal plant that is indigenous to Indonesia and Malaysia. The bioactive ingredients in the plant contain antihistamine, antioxidant, and anti-cancer compound. In this work, experimental study was performed using subcritical water extraction (SWE) method to extract bioactive compound namely mangiferin from Mahkota Dewa fruits. A sequential screening strategy using one-factor-at-a-time (OFAT) was carried out at different solid to solvent ratios (30 – 70 g/L), temperatures (50 – 150 °C) and extraction times (3 – 7 hours). The yield of mangiferin extracted was measured using high performance liquid chromatography (HPLC). The results show that the solid to solvent ratio, extraction temperature and time cause significant effect on the mangiferin yield. The best operating conditions for extracting Mahkota Dewa fruit with subcritical method is 60 g/L solid to solvent ratio and 100°C extraction temperature for 5 hours with mangiferin yield of 3.202% w/w

Effect of spray drying parameters on the physicochemical properties and oxidative stability of oil from menhaden (Brevoortia spp.) and Asian swamp eel (Monopterus albus) oil extract microcapsules

This work investigated the effect of spray drying parameters on the physicochemical properties and oxidative stability of oil from menhaden (Brevoortia spp.) and Asian swamp eel (Monopterus albus) oil microcapsules. Different emulsion formulations (Maltodextrin - MD, Maltodextrin+Gum Arabic - MD+GA, and Maltodextrin+Starch - M+S), inlet air temperatures (180, 190, and 200 °C), and feed flow rates (280, 382, and 485 mL/h) were applied to microencapsulate Brevoortia spp. oil. The best operating parameters were then used to microencapsulate the Monopterus albus oil. The moisture content, MC (%), peroxide value, PV (mEq/kg), free fatty acid, FFA (%), acid value, AV (mg KOH/g) and the morphology of the microcapsules were then evaluated. The Brevoortia spp. oil microcapsules produced with the Maltodextrin+Gum Arabic emulsion formulation, inlet air temperature of 200 °C, and feed flow rate of 280 mL/h showed the lowest moisture content, peroxide value, free fatty acid, and acid value of 9.145%, 3.293 mEq/kg, 4.891%, and 2.981 mg KOH/g, respectively. Using similar parameters, the microencapsulation of the Monopterus albus oil extract recorded a moisture content, peroxide value, free fatty acid, and acid value of 8.432%, 2.713 mEq/kg, 4.911%, and 2.871 mg KOH/g, respectively. In conclusion, improved physicochemical properties and oxidative stability of Monopterus albus oil extract microcapsules were achieved using the Maltodextrin+Gum Arabic emulsion formulation and spray drying at a high air inlet temperature of 200 °C and a low feed flow rate of 280 mL/h

Molecular dynamics simulation of mahkota dewa (phaleria macrocarpa) extract in subcritical water extraction process

Mahkota Dewa (Phaleria Macrocarpa), a good source of saponin, flavanoid, polyphenol, alkaloid, and mangiferin has an extensive range of medicinal effects. The intermolecular interactions between solute and solvents such as hydrogen bonding considered as an important factor that affect the extraction of bioactive compounds. In this work, molecular dynamics simulation was performed to elucidate the hydrogen bonding exists between Mahkota Dewa extracts and water during subcritical extraction process. A bioactive compound in the Mahkota Dewa extract, namely mangiferin was selected as a model compound. The simulation was performed at 373 K and 4.0 MPa using COMPASS force field and Ewald summation method available in Material Studio 7.0 simulation package. The radial distribution functions (RDF) between mangiferin and water signify the presence of hydrogen bonding in the extraction process. The simulation of the binary mixture of mangiferin:water shows that strong hydrogen bonding was formed. It is suggested that, the intermolecular interaction between OH2O••HMR4(OH1) has been identified to be responsible for the mangiferin extraction process