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#28456119   2017/04/29 Save this To Up

Theoretical insights on flavanones as antioxidants and UV filters: A TDDFT and NLMO study.

UV radiations can cause several irritations to the skin like sunburn, photo aging and even skin cancer. Sunscreens are widely used to protect the skin against these harmful radiations. One of the ingredients present in these sunscreens are organic molecules capable of absorbing these harmful radiations. Recently, the search is on for antioxidant molecules which can act as UV filters as they can facilitate photo protection. In this study, a computational investigation based on density functional theory (DFT) is attempted on flavanones namely pinocembrin, pinostrobin and alpinetin found in Boesenbergia pandurata. Several quantum chemical descriptors are computed to understand the antioxidant potentiality of these molecules. Quantum chemical descriptors of these flavanone molecules are found to be comparable to that of well-known anti-oxidant quercetin. UV response of these molecules are studied using time dependent density functional theory (TD-DFT) formalism and by means of natural bond orbital (NBO) theory. It could be seen that these molecules exhibit a broad absorption in the UV region 270-390nm. This falls exactly in the region of harmful UVB and UVA radiation. Thus, these molecules have the potential to absorb the harmful UV radiation. From NLMO cluster studies, the orbital contribution to absorption is explained. In flavanones, unlike other classes of flavonoids, there is a discontinuity in the electron conjugation due to the absence of C2C3 double bond. This might be the key structural feature that leads to the absorption of these molecules to be centered around the UV region. These molecules can thus be treated as promising candidates for antioxidant UV filters in sunscreens.

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#28456117   2017/04/29 Save this To Up

Correlation of binding efficacies of DNA to flavonoids and their induced cellular damage.

Flavonoids are dietary intakes which are bestowed with several health benefits. The most studied property of flavonoids is their antioxidant efficacy. Among the chosen flavonoids Quercetin, Kaempferol and Myricetin is catagorized as flavonols whereas Apigenin and Luteolin belong to the flavone group. In the present study anti-cancer properties of flavonoids are investigated on the basis of their binding efficacy to ct-DNA and their ability to induce cytotoxicity in K562 leukaemic cells. The binding affinities of the flavonoids with calf thymus DNA (ct-DNA) are in the order Quercetin>Myricetin>Luteolin>Kaempferol>Apigenin. Quercetin with fewer OH than myricetin has higher affinity towards DNA suggesting that the number and position of OH influence the binding efficacies of flavonoids to ct-DNA. CD spectra and EtBr displacement studies evidence myricetin and apigenin to be stronger intercalators of DNA compared to quercetin. From comet assay results it is observed that quercetin and myricetin when used in combination induce higher DNA damage in K562 leukemic cells than when tested individually. Higher binding efficacy has been recorded for quercetin to DNA at lower pH, which is the micro environment of cancerous cells, and hence quercetin can act as a potential anti-cancer agent. Presence of Cu also increases cellular damage as recorded by comet assay.

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#28456106   2017/04/29 Save this To Up

Transparent and durable superhydrophobic coatings for anti-bioadhesion.

Although thousands of superhydrophobic coatings have been reported, transparent ones with high durability are rare. Here, transparent and durable superhydrophobic coatings were prepared by using multiwalled carbon nanotubes (MWCNTs) as the templates. The superhydrophobic coatings were prepared by spray-coating the homogeneous suspension of polysiloxane-modified MWCNTs (MWCNTs@POS) in toluene onto glass slides, calcination in air at 500°C to form the silica nanotubes (SNTs), and then chemical vapor deposition of polydimethylsiloxane at 200°C onto the surface of the SNTs coatings. The MWCNTs@POS suspension was prepared by hydrolytic condensation of hexadecyltrimethoxysilane and tetraethoxysilane on the surface of MWCNTs. The coatings showed excellent superhydrophobicity (water contact angle=166.6°, sliding angle=1°) and high transparency (83.1% at 600nm). In addition, the transparent superhydrophobic coatings featured high mechanical, chemical and thermal durability. The coatings retained the excellent superhydrophobicity after intensive water jetting at 100kPa for 60min, immersion in various corrosive liquids for 24h, or kept at 390°C for 1h. Moreover, the transparent and durable superhydrophobic coatings exhibited very good anti-bioadhesive properties.

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#28456105   2017/04/29 Save this To Up

Dual-mode blue emission, enhanced up-conversion luminescence and paramagnetic properties of ytterbium and thulium-doped Ba2GdF7 multifunctional nanophosphors.

A series of Ba2GdF7:Yb(3+), Tm(3+) nanophosphors (NPs) with dual-mode (down-conversion (DC) and upconversion (UC)) luminescence were successfully prepared by hydrothermal method at 180°C. The NPs have sphere-like morphology and cubic structure. Under the excitation of ultraviolet 355nm and near-infrared 980nm, Yb(3+) and Tm(3+) ions co-doped Ba2GdF7 phosphors exhibit bright blue dual-mode emission. The mechanism of UC emissions was determined three-photon absorption. The energy transfer processes from Yb(3+) to Tm(3+) were discussed in detail. The up-conversion luminescence of Ba2GdF7:Yb(3+)/Tm(3+) nanophosphors were enhanced by introducing the sensitizer Yb(3+) ions and modifying the cetyltrimethylammonium bromide (CTAB) surfactant, respectively. Moreover, the as-prepared samples exhibit paramagnetic properties at room temperature. This type of multifunctional nanophosphors have promising applications in anti-counterfeiting, drug delivery, solid state lasers, biolabels, MRI, light emitting diodes (LEDs).

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Androgen Receptor (Phosph Androgen Receptor (Phosph Rabbit Anti-Human Androge Rabbit Anti-Human Androge Androgen Receptor (Ab 650 AZD-3514 Mechanisms: Andr 17β-Acetoxy-2α-bromo-5 (5α,16β)-N-Acetyl-16-[2 (5α,16β)-N-Acetyl-16-ac 5α-N-Acetyl-2'H-androst- 5α-N-Acetyl-2'H-androst- 3-O-Acetyl 5,14-Androstad

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#28456097   2017/04/29 Save this To Up

Structure-guided cancer blockade between bioactive bursehernin and proteins: Molecular docking and molecular dynamics study.

Bursehernin (5'-desmethoxyyatein) is a natural lignan, which has anti-tumor activity in vitro. In this study, the binding-inhibitory effects of bursehernin were screening on selected 80 proteins associated with cancer pathway. The computational analysis suggested inhibitory effect due to bursehernin towards proteins related to cancer proliferation, including FMS kinase receptor, heat shock protein 90-α (Hsp90-α), adenylate cyclase 10 (ADCY10), mitogen-activated protein kinase kinase (MEK1), and α-tubulin. Moreover, bursehernin could interfere with cell cycle progression via binding to cyclin B proteins. Among all screened proteins, the compound showed an interesting binding affinity to the FMS kinase receptor. The binding mode studies by molecular dynamic technique showed that aromatic ring of bursehernin compound was responsible for compound-protein interaction through pi-pi stacking with Tyr105 and Phe178 of the FMS kinase receptor. This study suggests that bursehernin has potential for development as an anti-tumor agent with an anti-proliferation, and cell cycle arrest inducing, although further studies are needed.

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#28456094   2017/04/29 Save this To Up

New biologics in the treatment of rare glomerular diseases of childhood.

Minimal change disease and focal segmental glomerulosclerosis are rare but important causes of end-stage kidney disease in children. Though their pathogenesis is still unclear, evidence of immune abnormalities provided the background for the use of immunosuppressive drugs, such as corticosteroids, calcineurin inhibitors, antiproliferative and alkylating agents. Unfortunately, these treatments fail to achieve a sustained remission in a significant portion of patients and are burdened by significant toxicities. Recent developments of new biologics, including anti-CD20 monoclonal antibodies rituximab and ofatumumab, offered the opportunity to selectively target immune cell subsets or activation pathways, leading to more effective and safer hypothesis-driven treatments.

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#28456072   2017/04/29 Save this To Up

Can smartphone mental health interventions reduce symptoms of anxiety? A meta-analysis of randomized controlled trials.

Various psychological interventions are effective for reducing symptoms of anxiety when used alone, or as an adjunct to anti-anxiety medications. Recent studies have further indicated that smartphone-supported psychological interventions may also reduce anxiety, although the role of mobile devices in the treatment and management of anxiety disorders has yet to be established.

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#28456064   2017/04/29 Save this To Up

Effects of diclofenac on the expression of Nrf2 and its downstream target genes in mosquito fish (Gambusia affinis).

Diclofenac (DCF) is one of widely used non-steroidal anti-inflammatory drugs. Recently, this drug has been universally detected in aquatic environment. However, its potential adverse effects and oxidative stress toxic mechanisms on fish remain unclear. In the present study, we first cloned the crucial partial sequences of some key oxidative stress related genes, which include NF-E2-related factor 2 (Nrf2), NAD(P)H: quinoneoxidoreductase (NQO1), glutamate-cysteine ligase catalytic subunit (GCLC), Cu-Zn superoxide dismutase (SOD2), catalase (CAT), alpha-glutathione S-transferase (GSTA), and UDP-glucuronosyltransferases (UGT) in mosquito fish (Gambusia affinis). We also deduced amino acids of Nrf2 and then constructed the phylogenetic trees of Nrf2, NQO1 and GCLC, respectively. Results showed that a high identity percentage was founded between G. affinis and other bony fish species, such as Xiphophorus maculates and Poecilia reticulate. The transcriptional expression of these genes and partly related enzymes activities were then investigated under the included environmental relevant concentration DCF exposure (0μmolL(-1), 1.572×10(-3)μmolL(-1), 1.572×10(-2)μmolL(-1), 0.1572μmolL(-1) and 1.572μmolL(-1)) for 24h and 168h. The expression of Nrf2 was inhibited at 24h but induced at 168h, exhibiting a significant time and/or dose-effect relationship under DCF exposure. Similar observation was found in its downstream target genes. However, Nrf2-mediated antioxidant enzymes activities displayed differently under the same concentration of DCF exposure for the same time. Under DCF exposure for 168h, the genes exhibited dramatic induction trend, but there were no significant changes in enzyme activities and MDA content. Overall, mRNA responses were more sensitive than enzyme changes in mosquito fish under DCF exposure.

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#28455995   2017/04/29 Save this To Up

Boschniakia Rossica Polysaccharide Triggers Laryngeal Carcinoma Cell Apoptosis by Regulating Expression of Bcl-2, Caspase-3, and P53.

BACKGROUND Laryngeal cancer is a malignant head and neck tumor with high morbidity and high mortality in humans. Recently, treatments with Chinese medicines and their extracts have gradually received great attention, and studies suggest that Boschniakia rossica polysaccharide (BRP) has potential anti-tumor activity. Therefore, this study investigating the role of BRP in inducing apoptosis in human laryngeal carcinoma cells. MATERIAL AND METHODS The BRP was extracted with organic solvent and HR column. We treated Hep2 laryngeal carcinoma cells with different concentrations of BRP, then assessed cell growth inhibition rate by flow cytometry and apoptosis index by TUNEL staining. The protein expression of p53, Bcl-2, Bax, and caspase-3 were analyzed by Western blot. RESULTS Flow cytometry results showed that BRP inhibited Hep2 cell proliferation in a dose-dependent manner (p<0.05), and TUNEL staining indicated that BRP significantly increased Hep2 apoptosis index (p<0.05). Western blot results showed that the expression levels of p53 and activation of caspase-3 in Hep2 cells were significantly up-regulated (p<0.05), while the expression of Bcl-2 was significantly down-regulated (p<0.05). CONCLUSIONS BRP might induce cell apoptosis by regulating the expression level of cell apoptosis-associated proteins, suggesting strong anti-laryngeal cancer activity.

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#28455990   2017/04/29 Save this To Up

Sanguinarine protects against osteoarthritis by suppressing the expression of catabolic proteases.

Inflammatory cytokines play critical roles in the pathogenesis of osteoarthritis. Recent studies have demonstrated that natural active substances can serve as alternative therapeutic agents for the prevention and treatment of osteoarthritis. Sanguinarine, an alkaloid isolated from the roots of Sanguinaria canadensis, is known to have anti-inflammatory properties. The aim of the present study was to investigate the therapeutic effect of Sanguinarine against osteoarthritis. Sanguinarine inhibited interleukin-1β-induced expression of matrix metalloproteinase 1, 3, and 13, and A disintegrin and metalloproteinase with thrombospondin motifs-5 in chondrocytes, which involved the nuclear factor-κB and c-Jun N-terminal kinase signalling pathways. Furthermore, the study of interleukin-1β-induced cartilage matrix degradation in an anterior cruciate ligament transection-induced osteoarthritis model revealed that Sanguinarine ameliorated osteoarthritis by inhibiting the expression of matrix metalloproteinase 1, 3, and 13, and A disintegrin and metalloproteinase with thrombospondin motifs-5. In conclusion, we demonstrated for the first time that Sanguinarine suppressed the expression of matrix metalloproteinase 1, 3, and 13, and A disintegrin and metalloproteinase with thrombospondin motifs-5 in vitro, ex vivo, and in vivo, indicating its potential usefulness in treating osteoarthritis.

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