A molecular electron density theory study of the mechanism,chemo- and stereoselectivity of the epoxidation reaction of R-carvone with peracetic acid

The epoxidation reaction of R-carvone 8 with peracetic acid 9 has been studied within the molecular electron density theory at the B3LYP/6-311(d,p) computational level. The chemo- and stereoisomeric reaction paths involving the two C–C double bonds of R-carvone 8 have been studied. DFT calculations account for the high chemoselectivity involving the C–C double bond of the isopropenyl group and the low diastereoselectivity, in complete agreement with the experimental outcomes. The Baeyer–Villiger reaction involving the carbonyl group of R-carvone 8 has also been analysed. A bonding evolution theory analysis of the epoxidation reaction shows the complexity of the bonding changes taking place along this reaction. Formation of the oxirane ring takes place asynchronously at the end of the reaction by attack of anionic oxygen on the two carbons of the isopropenyl C–C double bond.

The epoxidation reaction of R-carvone 8 with peracetic acid 9 has been studied within the molecular electron density theory at the B3LYP/6-311(d,p) computational level.     

Gender differences among homeless people in Tehran,Iran

Aim

Gender differences among homeless people may affect the frequency of their risky behaviours. This study was conducted to evaluate the behaviour patterns of homeless men and women in Tehran and compare the probable differences.

Subject and methods

In this study, 593 homeless people were recruited from five centres that house homeless people in Tehran, the capital city of Iran. A researcher-designed questionnaire was used to study behavioural patterns.

Results

In this study, homeless people (513 males and 80 females, all Iranian nationals) were enrolled in the study from June to August 2012. Mean age and mean duration of homelessness among women (35.46 and 12.68 months) were lower than those among men (42.74 and 56.85 months) (p?=?0.001). Although lifetime history of incarceration in men was higher than in women (p?=?0.002), mean duration of imprisonment in the last 10 years in men (21.25 months) and women (17.76 months) was not statistically different (p?=?0.07). Accommodation locality in the past 6 months varied between men and women. Women were current drug users more often than men were (61.53 % versus 45.26 %) (p?=?0.02). The type of drug consumption in women (methamphetamine) differed from that of men (opium and heroin). More men had a history of injecting drugs than did women (30.02 % versus 12.30 %) (p?=?0.003). Condom use at the last sexual encounter was reported to be higher in women compared to men (74.60 % versus 26.62 %) (p?=?0.001).

Conclusion

This study showed notable differences in behaviour patterns between homeless men and women and also indicated that homeless people in Tehran exhibit many risky behaviours.     

An FBG magnetic sensor for oil flow monitoring in sandstone core

Monitoring the oil movement using a non-contact optical fiber probe during enhanced oil recovery is a novel technique to increase the efficiency of the process by distinguishing the oil position in the reservoir. A partially unclad fiber Bragg grating (FBG) coated with Fe₃O₄ nanoparticles as a magnetic field sensor is experimentally demonstrated. A series of six FBGs reflecting different wavelengths are fixed on the surface of sandstone. Nanofluids containing magnetite nanoparticles and alkaline-surfactant-polymer are injected continuously in two separate steps into the sandstone, which is saturated with 20% oil and 80% brine. The chamber is equipped with a solenoid that acts as a magnetic field generator. The changes in the magnetic field strength depended on the FBG-solenoid distance and the density of localized injected nanoparticles near the FBGs leads to a shift of the reflected wavelength of each single FBG accordingly. The shift is caused by the interference of different propagating modes reflected from the core-cladding and cladding-magnetite layer interfaces. The intensity of the FBG spectra decreases by injecting the nanofluid and vice versa for surfactant injection. The sensor response time of ∼21 s confirms the high reliability and repeatability of the sensing scheme. Movement of oil along the sandstone alters the wavelength shift in the FBG spectra.

Monitoring the oil movement using a non-contact optical fiber probe during enhanced oil recovery is a novel technique to increase the efficiency of the process by distinguishing the oil position in the reservoir.     

Optimization of Hormonal Combinations for In Vitro Regeneration of Lesser Periwinkle (Vinca minor L.) and Assessment of Genetic Homogeneity

Proceedings of the National Academy of Sciences, India Section B: Biological Sciences - Lesser Periwinkle (Vinca minor L.) is an important source of valuable secondary metabolites. To survey the...     

Toxicity of Nd2WO6 nanoparticles to the microalga Dunaliella salina: synthesis of nanoparticles and investigation of their impact on microalgae

The presence of nanoparticles in the environment and their impact on existing organisms is one of the main concerns of researchers working in this field. In this research, Nd₂WO₆ nanoparticles were prepared by an ultrasonic procedure for the first time. X-ray powder diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), and energy-dispersive X-ray spectroscopy (EDS) analyses were applied to identify and prove the purity of these particles. In addition to increasing the reaction rate and efficiency with the help of a radical generation mechanism, ultrasound was able to aid the synthesis of these particles. After confirming nanoparticle formation, the optimal nanoparticles in view of scale and morphology were selected by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Optimal particles at three concentrations (25, 50, and 100 ppm) were mixed into the algae growth medium to investigate the effects of the nanoparticles on Dunaliella salina growth. Biological parameters, including the number of cells, biomass, specific growth rate, pigments, and malondialdehyde (MDA), were measured after ten days. Growth parameters showed an increasing trend in concentrations up to 50 ppm; however, at a concentration of 100 ppm, a significant decrease was observed in contrast to the nanoparticles-free treatment. The MDA content showed a linear relationship with enhanced concentration of the nanoparticles. The examination of biological parameters showed that the algae response to stress was dependent on the concentration of nanoparticles. The results showed that 50 ppm of nanoparticles are suitable for increasing algae and achieving a suitable growth rate for commercial purposes. However, in higher concentrations, algal growth inhibition occurs, which is of great importance from a biotechnological point of view.

In this work, Nd₂WO₆ nanoparticles were synthesized by the ultrasonic method for the first time. Also, for the first time, the impact of these nanoparticles on the environment was investigated.     

Rheological Properties of MWCNT-Doped Titanium-Oxo-Alkoxide Gel Materials for Fiber Drawing

A strategy of doping by multi-walled carbon nanotubes (MWCNT) to enhance mechanical strength and the electrical conductivity of ceramic fibers has nowadays attracted a great deal of attention for a wide variety of industrial applications. This study focuses on the effect of MWCNTs on rheological properties of metal alkoxide precursors used for the preparation of nanoceramic metal oxide fibers. The rheological behavior of MWCNT-loaded titanium alkoxide sol precursors has been evaluated via an extensional rheometry method. A substantial decrease in elongational viscosity and relaxation time has been observed upon an introduction of MWCNTs even of low concentrations (less than 0.1 wt.%). A high quality MWCNT/nanoceramic TiO₂ composite fibers drawn from the specified precursors has been validated. The MWCNT percolation, which is mandatory for electrical conductivity (50 S/m), has been achieved at 1 wt.% MWCNT doping.     

Sleep disturbances and back pain

In today’s society, sleep disturbances and back pain are both common problems which threaten health. Although some studies have focused on the effects of sleep disturbances on back pain, no meta-analysis has been done. The purpose of this study is to systematically review and perform a meta-analysis on the effects of sleep disturbances on back pain. A literature search in PubMed, Scopus and EMBASE with keywords until June 2019 was performed. The eligible articles were evaluated qualitatively and the results were pooled using random effects. The publication bias and the degree of heterogeneity were examined. In all, 21 studies were included in the meta-analysis. Sleep disturbances were associated with back pain (odds ratio 1.52; confidence interval [CI] 1.37–1.68; P < 0.001). In men, the odds ratio was 1.49 (CI 1.34–1.65; P < 0.001). In women, the odds ratio was 1.56 (CI 1.33–1.81; P < 0.001). Begg’s test (P = 0.856) and Egger test (P = 0.188) did not show any publication bias. A funnel plot and trim-and-fill method showed publication bias, and heterogeneity was also high. Sleep disturbance is associated with risk of back pain. Improving sleep can be a deterrent against back pain. Therefore, interventions to reduce sleep disturbances can help to improve health. On the other hand, the relationship between sleep disturbances and back pain can be two-sided, and back pain can also lead to sleep disturbances. Not only in view of the lifetime prevalence and the multifactorial impairments of those affected, but also in consideration of social and economic burdens, this issue will remain of considerable importance.     

Contribution of Fc fragment of monoclonal antibodies to tetanus toxin neutralization

Neurotoxicity Research - Monoclonal antibodies (MAbs) against neurotoxin of Clostridium tetani are considered as a novel source of immunoglobulins for passive immunotherapy of tetanus. Toxin...     

Antihyperglycemic Activities of Leaves of Three Edible Fruit Plants (Averrhoa Carambola,Ficus Hispida and Syzygium Samarangense) of Bangladesh

Averrhoa carambola L. (Oxalidaceae), Ficus hispida L.f. (Moraceae), and Syzygium samarangense (Blume) Merr. & L.M. Perry (Myrtaceae) are three common plants in Bangladesh, the fruits of which are edible. The leaves and fruits of A. carambola and F. hispida are used by folk medicinal practitioners for treatment of diabetes, while the leaves of S. samarangense are used for treatment of cold, itches, and waist pain. Since scientific studies are absent on the antihyperglycemic effects of the leaves of the three plants, it was the objective of the present study to evaluate the antihyperglycemic potential of methanolic extract of leaves of the plants in oral glucose tolerance tests carried out with glucose-loaded mice. The extracts at different doses were administered one hour prior to glucose administration and blood glucose level was measured after two hours of glucose administration (p.o.) using glucose oxidase method. Significant oral hypoglycemic activity was found with the extracts of leaves of all three plants tested. The fall in serum glucose levels were dose-dependent for every individual plant, being highest at the highest dose tested of 400 mg extract per kg body weight. At this dose, the extracts of A. carambola, F. hispida, and S. samarangense caused, respectively, 34.1, 22.7, and 59.3% reductions in serum glucose levels when compared to control animals. The standard antihyperglycemic drug, glibenclamide, caused a 57.3% reduction in serum glucose levels versus control. Among the three plants evaluated, the methanolic extract of leaves of S. samarangense proved to be the most potent in demonstrating antihyperglycemic effects. The result validates the folk medicinal uses of A. carambola and F. hispida in the treatment of diabetes, and indicates that the leaves of S. samarangense can also possibly be used for amelioration of diabetes-induced hyperglycemia.