54 research outputs found

    Nuclear quantum effects in fullerene–fullerene aggregation in water

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    We studied the effects of the quantum delocalization in space of the hydrogen atoms of water in the aggregation process of two fullerene molecules. We considered a case using a purely repulsive water–fullerene interaction, as such a situation has shown that water-mediated effects play a key role in the aggregation process. This study becomes feasible, at a reduced computational price, by combining the path integral (PI) molecular dynamics (MD) method with a recently developed open-system MD technique. Specifically, only the mandatory solvation shell of the two fullerene molecules was considered at full quantum resolution, while the rest of the system was represented as a mean-field macroscopic reservoir of particles and energy. Our results showed that the quantum nature of the hydrogen atoms leads to a sizable difference in the curve of the free energy of aggregation; that is, that nuclear quantum effects play a relevant role

    High-harmonics and isolated attosecond pulses from MgO

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    On the basis of real-time ab initio calculations, we study the non-perturbative interaction of two-color laser pulses with MgO crystal in the strong field regime to generate isolated attosecond pulse from high-harmonic emissions from MgO crystal. In this regard, we examine the impact of incident pulse characteristics such as its shape, intensity, and ellipticity as well as the consequence of the crystal anisotropy on the emitted harmonics and their corresponding isolated attosecond pulses. Our calculations predict the creation of isolated attosecond pulses with a duration of ~ 300 attoseconds; in addition, using elliptical driving pulses, the generation of elliptical isolated attosecond pulses is shown. Our work prepares the path for all solid-state compact optical devices offering perspectives beyond traditional isolated attosecond pulse emitted from atoms

    Up-regulation of miR-381 inhibits NAD+ salvage pathway and promotes apoptosis in breast cancer cells

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    Nicotinamide phosphoribosyltransferase (NAMPT), a rate-limiting enzyme involved in nicotinamide adenine di- nucleotide (NAD) salvage pathway, is overexpressed in many human malignancies such as breast cancer. This enzyme plays a critical role in survival and growth of cancer cells. MicroRNAs (miRNAs) are among the most important regulators of gene expression, and serve as potential targets for diagnosis, prognosis, and therapy of breast cancer. Therefore, the aim of this study was to asse ss the effect of NAMPT inhibition by miR-381 on breast cancer cell survival. MCF-7 and MDA-MB-2 31 cancer cell lines were transfected with miR-381 mimic, inhibitor, and their corresponding negative controls (NCs). Subsequently, the level of NAMPT and NAD was assessed using real-time PCR, immuno-blotting, and enzymatic methods, resp ectively. In order to evalua te apoptosis, cells were labelled with Annexin V-FITC and propidium iodide and analyzed by flow cytometry. Bioinformatics analysis was performed to recognize whether NAMPT 3 ′ -untranslated region (UTR) is a direct target of miR-381 and the results were authenticated by the luciferase re porter assay using a vector containing the 3 ′ -UTR sequence of NAMPT. Our results revealed that the 3 ′ -UTR of NAMPT was a direct target of miR-381 and its up-regulation decreased NAMPT gene and protein expression, leading to a notable reduction in intracellular NAD and subse- quently cell survival and induction of apoptosis. It can be concluded that miR-381 has a vital role in tumor sup- pression by down-regulation of NAMPT, and it can be a promising candidate for breast cancer therapy

    Comparison of effect of ventolin and hypersaline 3 on recovery course of acute bronchiolitis in hajar hospital, shahrekord in 2013-2014

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    Background and Objective: Acute bronchiolitis is one of the most common reasons for inflammation, small airways obstruction, and lower respiratory tract infection in infancy. Owing that there has been no study on the efficacy of hypersaline 3% in the treatment of acute bronchiolitis in Iran, the present study was undertaken to deal with this issue. Materials and Methods: This double-blinded clinical trial was carried out in Hajar Hospital of Shahrekord in 2013-2014. 70 patients under 2 years of age with bronchiolitis were assigned to two groups of 35 each. The first group received nebulized Ventolin while the second group was given nebulized hypersaline 3% three times a day. Subsequent to these administrations, recovery duration was compared in both groups. Results: The mean and standard deviation of recovery duration in the Ventolin group was 4.14±0.9 days and in the hypersaline 3% group was 3.06±0.6 days. T-test and mean recovery duration was significantly lower in the hypersaline 3% group (P<0.001). Conclusion: Nebulizer hypersaline 3% had a better therapeutic effect than Ventolin in the treatment of acute bronchiolitis. Therefore, the use of this drug, rather than Ventolin, is recommended for the treatment of acute bronchiolitis in children under two years of age. © 2016, Zanjan University of Medical Sciences and Health Services. All right reserved

    Effect of Topical Application of the Cream Containing Magnesium 2% on Treatment of Diaper Dermatitis and Diaper Rash in Children A Clinical Trial Study

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    Introduction: Diaper dermatitis is referred to the inflammation in outer layers of the skin in the perineal area, lower abdomen, and inner thighs. The lesions are maculopapular and usually itchy, which could cause bacterial or candida infection, and predispose the infants to penis or vaginal and urinary infection and lead to discomfort, irritability, and restlessness. The drugs which have been so far administered for this disease (topical steroids) cause special complications for the sensitive skin in this area. Magnesium (Mg) is known for its anti-inflammatory and wound-healing properties. Aim: The aim of the present study was to study the effect of the cream containing Mg 2% on treatment of diaper dermatitis and diaper rash in children. Materials and Methods: In this clinical trial study, 64 children aged less than two years old with diaper dermatitis referring Paediatric Ward of Hajar Hospital were randomly assigned to two groups of 32. Group one was treated with the combined cream Mg 2% and Calendula and group two with Calendula cream alone. The duration of recovery was compared between the two groups. Results: The duration of recovery was significantly lower in the intervention group than the control group (p-value<0.001), but there was no significant difference in the lesions size and diapers' number between the two groups. Conclusion: Based on the finding of this study, Mg is effective on treatment of diaper dermatitis and could be used for treating diaper dermatitis and other types of dermatitis
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