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1. (Article ID: 8545)
 
Cui J, Zhao T, Zou L, Wang X, Zhang Y
Molecular dynamics simulation of S. cerevisiae glucan destruction by plasma ROS based on ReaxFF
Journal of Physics D: Applied Physics 51(35) (2018) (1-17)
 

Atmospheric non-equilibrium plasma sterilization technology has been applied in the food processing, medical and health fields because of advantages such as short application time, low-temperature operation, high efficiency and safety. Research has shown that the active particles in the plasma play a decisive role in sterilization. However, the micromechanisms underlying the interaction between the active particles and biological components remain unclear. In this paper, with the common deteriorative microorganism Saccharomycodes as the research object, we examined the interaction between reactive oxygen species (O, OH, HO2 and H2O2) and glucan in the cell wall using a reactive force field molecular dynamics (ReaxFF MD) simulation methodology. We found that these reactive oxygen species reacted with the glucan structure by hydrogen abstraction reactions to cleave chemical bonds (C–O and C–C), resulting in cell wall destruction. Of these species, the O and OH species attract H atoms from the structure; these atoms are highly active and can easily break C–C bonds and release monosaccharides from the branched glucan chains. The H atoms in HO2 and H2O2 are strongly attracted to the glucan structure. Next, the C–O bonds are easily broken, leading to destruction of the chain structure, mainly because of the cleavage of the glucoside bonds. This simulation study adds to the understanding of the micromechanism of the ROS-mediated destruction of the cell wall glucan of Saccharomyces cerevisiae and of plasma sterilization at the atomic level.

glucan, reactive oxygen species (ROS), food safety, atmospheric pressure non-equilibrium plasma (APNP), sterilization, reactive force field molecular dynamics (ReaxFF MD)

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2. (Article ID: 9193)
 
Ukaegbu CI, Shah SR, Hamid HA, Alara OR, Sarker MZI
Phenolic compounds of aqueous and methanol extracts of Hypsizygus tessellatus (brown and white var.) and Flammulina velutipes caps: antioxidant and antiproliferative activities
Pharmaceutical Chemistry Journal 54(2) (2020) 170-183
 

Since the World Health Organization has suggested the exploration of natural products for cancer management owing to the side effects of chemotherapy and irradiation on humans and breast cancer accounts for the highest number of cancer related deaths globally, this study has examined antiproliferative effects of the aqueous and methanol extracts of Hypsizygus tessellatus (brown and white var.) and Flammulina velutipes caps against two breast cancer cell lines. The antioxidant and antiproliferative activities of these mushroom extracts were evaluated in vitro using chemical-based (for antioxidant activity) and cell (for antiproliferative activity) approaches. Furthermore, the phytochemical composition of the mushroom extracts were identified using mass spectroscopy (UPLC-QTOF/MS). The obtained results showed aqueous extracts of F. velutipes (Enoki) and white H. tessellatus (Bunapi shimeji) caps to possess higher antiodixant activities against DPPH (IC50 = 0.202 and 0.573 mg/mL, respectively), and H2O2 (IC50 = 0.622 and 0.745 mg/mL, respectively) compared tothe methanol extracts. Aqueous extracts of the mushrooms also showed better ferric reducing antioxidant power (FRAP) values against ferric ions compared to the methanol extracts. Finally, the mushroom extracts showed good antiproliferative activities against human breast cancer cell lines. These findings suggest the presence of phytochemicals with antiproliferative and antioxidant acrtivities in the mushroom extracts studied.

Antioxidant, antiproliferative, phytochemicals, H. tessellatus, F. velutipes

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3. (Article ID: 9194)
 
Carneiro E, Calixto JB, Monache FD, Yunes RA
Isolation, chemical identification and pharmacological evaluation of eucryphin, astilbin and engelitin obtained from the bark of Hymenaea martiana
International Journal of Pharmacognosy 31(1) (1993) 38-46
 

This study was designed to isolate, chemically characterize, and pharmacologically evaluate the active principles present in a crude extract from the bark of Hymenaea martiana. β-Sitosterol-3-O-glycoside and three rhamnosides (eucryphin, engelitin and astilbin) were identified. As demonstrated previously with an alcohol extract from H. martiana, the glycoside eucryphin (29.5-236 μM) caused a concentration-dependent rightward displacement of the bradykinin (BK) concentration response curve in the isolated rat uterus. In contrast, astilbin (22-176 μM) and engeletin (21-92 μM) caused only a discrete displacement to the right of BK-induced contractions. Acetylated astilbin (18-72 μM) and eucryphin (13-53 μM) caused a parallel and concentration-dependent displacement to the right of BK concentration-response curves associated with slight depression of the maximal contraction. However, the antagonistic actions of these glycosides were found to be non-selective against BK, since at the same concentration range they antagonized acetylcholine-induced uterine contractions. These results further extend our previous studies carried out with the crude extract of H. martiana and furnish strong evidence that astilbin, eucryphin and to a lesser extent engelitin seem to be the active principles present in the bark of this plant. Whether these compounds demonstrate in vivo pharmacological activity remains to be determined.

eucryphin, astilbin, engelitin, Hymenaea martiana

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