267 research outputs found

    Linear acenes linked thiophene, electronic and chemical properties: Prospects for molecular organic electronic material

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    We report a theoretical study of linear acene (n=1 to 7) linked thiophene properties functionality. The total ground state and band gap energies, Coulomb potential and nuclear repulsion energy are calculated by DFT, MP2 at B3LYP exchange level of the theory and 6-311G* basis set. The results are in good agreement with the experimental and theoretical values. It is found that the total ground state energy of the system and band gap energy decreases with an increasing number of electrons in the rings. The addition of thiophene molecules tends to improve the electronic and chemical properties of the linear acenes, the material exhibit potential application in the organic molecular electronic material

    Density functional theory study of the electronic and optical properties of pure and magnesium doped Β-tricalcium phosphate compound

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    β-Tri-calcium phosphate material (β-TCP), have attract a wide interest in the material science and medical science applications, due to its excellent biocompatibility and its identical chemical compositions to the natural teeth and bones. For that reason, (β-TCP) compound is widely used as biocompatible ceramics in medical and dental science applications. However, research shows that, pure β-TCP material has lower ability to stimulate the growth of natural bone and teeth as needed. Therefore, in order to address this deficiency magnesium impurity is used to replace calcium in the matrix of pure β-TCP to enhance its electronic and optical properties which are not present in the pure one. Thereby, its biological performance becomes improved. By changing the chemical composition of β-TCP to be similar to the mineral compositions of the natural teeth and bones. This will give more insight in fabrication of biomaterial devices for replacing, repairing and rebuilding the broken or damaged human teeth and bones. Here, we present the study of compound β-TCP using density functional theory (DFT). For the calculations, we used full potential linear augmented plane wave method (FPL-APW), along with generalized gradient approximations (GGA) potential. The band gap values of 5.2 eV and 3.4 eV are obtained for the pure and Mg-doped β-TCP, respectively. These results are in good agreement with the experimental values. Our results show peaks which correspond to the refractive index, complex dielectric function, optical conductivity, optical reflectivity, extinction coefficient, absorption efficient, and electron energy loss. These peaks are shifted towards the higher energy values for the pure and Mg-doped β-TCP material. The obtained results have more significance for increasing the quality of electronic and optical properties of this material and offer more evidences to synthesize enhanced β-TCP material for dental and medical applications

    Hématome spontané de la surrénale (à propos de 2 cas)

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    L’hématome spontané de la surrénale est rare et d’étiologies multiples. Il est caractérisé par sa latence clinique et prête à confusion à une tumeur maligne de la surrénale. Nous rapportons deux observations: la première concernant un patient de 77 ans, sans antécédents pathologiques, qui a consulté pour des douleurs abdominales isolées. L’échographie et la tomodensitométrieont révélé l’existence d’une masse hétérogène aux dépens de la surrénale droite. La deuxième observation concerne une femme de 31 ans ayant consulté pour lombalgies gauches intermittentes. L’échographie et la tomodensitométrie ont révélé une tumeur kystique de la surrénale gauche.Dans les deux cas le bilan biologique était normal et une surrénalectomie par voie sous-costale a été réalisée. L’étude anatomopathologique a conclu à un hématome surrénalien sans lésion tumorale associée. Les aspects diagnostiques et thérapeutiques sont discutés

    Lung function profiles and aerobic capacity of adult cigarette and hookah smokers after 12 weeks intermittent training

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    Introduction: Pulmonary function is compromised in most smokers. Yet it is unknown whether exercise training improves pulmonary function and aerobic capacity in cigarette and hookah smokers and whether these smokers respond in a similar way as do non-smokers.Aim: To evaluate the effects of an interval exercise training program on pulmonary function and aerobic capacity in cigarette and hookah smokers.Methods: Twelve cigarette smokers, 10 hookah smokers, and 11 non-smokers participated in our exercise program. All subjects performed 30 min of interval exercise (2 min of work followed by 1 min of rest) three times a week for 12 weeks at an intensity estimated at 70% of the subject’s maximum aerobic capacity (VO2max). Pulmonary function was measured using spirometry, and maximum aerobic capacity was assessed by maximal exercise testing on a treadmill before the beginning and at the end of the exercise training program.Results: As expected, prior to the exercise intervention, the cigarette and hookah smokers had significantly lower pulmonary function than the non-smokers. The 12-week exercise training program did not significantly affect lung function as assessed by spirometry in the non-smoker group. However, it significantly increased both forced expiratory volume in 1 second and peak expiratory flow (PEF) in the cigarette smoker group, and PEF in the hookah smoker group. Our training program had its most notable impact on the cardiopulmonary system of smokers. In the non-smoker and cigarette smoker groups, the training program significantly improved VO2max (4.4 and 4.7%, respectively), v VO2max (6.7 and 5.6%, respectively), and the recovery index (7.9 and 10.5%, respectively).Conclusions: After 12 weeks of interval training program, the increase of VO2max and the decrease of recovery index and resting heart rate in the smoking subjects indicated better exercise tolerance. Although the intermittent training program altered pulmonary function only partially, both aerobic capacity and life quality were improved. Intermittent training should be advised in the clinical setting for subjects with adverse health behaviors.Keywords: cigarette smokers; hookah smokers; pulmonary function; aerobic capacity; interval trainin

    Theoretical investigations of β-tricalcium

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    Beta-tri-calcium phosphate (β-TCP) materials have gained a great deal of research considerations in biomaterial area due to their excellent biocompatibility and identical chemical compositions to the natural teeth and bones. Therefore, the β-TCP compound can be used as coatings, cement and composites as well as biocompatible ceramics for medical and dental applications. Electronic and optical properties for β-TCP compound have been investigated using density functional theory (DFT). For the calculations, we used full potential linear augmented plane wave method (FPLAPW), within three types of approximations along with local density approximations (LDA), generalized gradient approximations (GGA) and Modified Becke-Johnson (mBJ) to get the effect of the exchange and correlation in our calculations to get an accurate results. The computed band gap values for (β-TCP) compound using LDA, GGA, and mBJ-GGA approximations are 5.5 eV, 5.9 eV and 6.8 eV respectively. This is also predicted that the chemical bonding in this compound is a kind of combination of covalent and ionic character that is in a line with the experimental findings. The optical parameter, static dielectric constant ε1(0) reaches the values of 3.23681 (eV) at 0 GPa for the β-TCP compound. The obtained results are of vital nature for rising the quality of the electronic and optical properties of this material, and provide more evidence to fabricate novel Beta-Tri-calcium phosphate biomaterials for medical and dental applications

    Penile hair coil strangulation of the child

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    AbstractWe report the case of a child with a delayed presentation of penile strangulation with a coil of hair that resulted in a complete transection of the urethra. Hair coil strangulation of the penis is uncommon. It is also known as penile Tourniquet syndrome. It has been reported with circumcised and uncircumcised penises and it can lead to serious complications like the amputation of the penis. Prompt diagnosis and treatment are necessary to prevent complications

    Fragmentation cross sections of Fe^{26+}, Si^{14+} and C^{6+} ions of 0.3-10 A GeV on CR39, polyethylene and aluminum targets

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    New measurements of the total and partial fragmentation cross sections in the energy range 0.3-10 A GeV of Fe^{26+}, Si^{14+} and C^{6+} beams on polyethylene, CR39 and aluminum targets are presented. The exposures were made at Brookhaven National Laboratory (BNL), USA, and Heavy Ion Medical Accelerator in Chiba (HIMAC), Japan. The CR39 nuclear track detectors were used to identify the incident and survived beams and their fragments. The total fragmentation cross sections for all targets are almost energy independent while they depend on the target mass. The measured partial fragmentation cross sections are also discussed.Comment: 4 pages, 5 eps figures. Talk given at the 24th International Conference on Nuclear Tracks in Solids, Bologna, Italy, 1-5 September 200

    Search for strange quark matter and Q-balls with the SLIM experiment

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    We report on the search for Strange Quark Matter (SQM) and charged Q-balls with the SLIM experiment at the Chacaltaya High Altitude Laboratory (5230 m a.s.l.) from 2001 to 2005. The SLIM experiment was a 427 m2^{2} array of Nuclear Track Detectors (NTDs) arranged in modules of 24×2424 \times 24 cm2^{2} area. SLIM NTDs were exposed to the cosmic radiation for 4.22 years after which they were brought back to the Bologna Laboratory where they were etched and analyzed. We estimate the properties and energy losses in matter of nuclearites (large SQM nuggets), strangelets (small charged SQM nuggets) and Q-balls; and discuss their detection with the SLIM experiment. The flux upper limits in the CR of such downgoing particles are at the level of 1.310151.3 10^{-15}/cm2^{2}/s/sr (90% CL).Comment: 4 pages, 7 eps figures. Talk given at the 24th International Conference on Nuclear Tracks in Solids, Bologna, Italy, 1-5 September 200
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