Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.
The objective of the study to develop an amorphous solid dispersion for poorly soluble raltegravir by hot melt extrusion (HME) technique. A novel solubility improving agent plasdone s630 was utilized. The HME raltegravir was formulated into tablet by direct compression method. The prepared tablets were assessed for all pre and post-compression parameters. The drug- excipients interaction was examined by FTIR and DSC. All formulas displayed complying with pharmacopoeial measures. The study reveals that formula prepared by utilizing drug and plasdone S630 at 1:1.5 proportion and span 20 at concentration about 30mg (trail-6) has given highest dissolution rate than contrasted with various formulas of raltegravir.
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... Show MoreCopper, and its, alloys and composites (being the matrix), are broadly used in the electronic as well as bearing materials due to the excellent thermal and electrical conductivities it has.
In this study, powder metallurgy technique was used for the production of copper graphite composite with three volume perc ent of graphite. Processing parameters selected is (900) °C sintering temperature and (90) minutes holding time for samples that were heated in an inert atmosphere (argon gas). Wear test results showed a pronounced improvement in wear resistance as the percent of graphite increased which acts as solid lubricant (where wear rate was decreased by about 88% as compared with pure Cu). Microhardness and
... Show MoreThe efficiency of the Honeywords approach has been proven to be a significant tool for boosting password security. The suggested system utilizes the Meerkat Clan Algorithm (MCA) in conjunction with WordNet to produce honeywords, thereby enhancing the level of password security. The technique of generating honeywords involves data sources from WordNet, which contributes to the improvement of authenticity and diversity in the honeywords. The method encompasses a series of consecutive stages, which include the tokenization of passwords, the formation of alphabet tokens using the Meerkat Clan Algorithm (MCA), the handling of digit tokens, the creation of unique character tokens, and the consolidation of honeywords. The optimization of t
... Show MoreA number of compression schemes were put forward to achieve high compression factors with high image quality at a low computational time. In this paper, a combined transform coding scheme is proposed which is based on discrete wavelet (DWT) and discrete cosine (DCT) transforms with an added new enhancement method, which is the sliding run length encoding (SRLE) technique, to further improve compression. The advantages of the wavelet and the discrete cosine transforms were utilized to encode the image. This first step involves transforming the color components of the image from RGB to YUV planes to acquire the advantage of the existing spectral correlation and consequently gaining more compression. DWT is then applied to the Y, U and V col
... Show MoreFootball has progressed from being a ritual and a celebration to become an amateur sport, a professional sport, and now, increasingly, a commercial sport. In the analysis of football business model, the systemic approach should be adopted. If sport is regarded as one of the business sectors, then the application of business system methodology can be fully justified. The interest to create strong football business system calls for the search of the ways of popularizing football business model and boosting the economic potential of its participants. In the research literature tend to ignore the business processes within the sports business. Besides, the systemic approach in football business is usually limited to p
... Show MoreThis research aims to knowledge of the scope of applying the international specification of which is regarded to occupational health and safety management system (OHSAS 18001) second edition for year 2007 by The AL-Mammon Factory / The General Company For Vegetable Oils Industry in order to diagnosis the gap between specification requirements and reality by using the checklist made based upon the items of the specification, after translating the English copy into Arabic. The results of the research and analysis that occupational health and safety management system in comparison to the specification requirements in all of its main items, which was (%22.26) applied and documented partly, this refer to the existence of great gap (%7
... Show MoreShoulder immobilization is one of the injuries that lead to disability and loss of movement in the joint within a short time, which called the researchers to find appropriate therapeutic means to rehabilitate this injury. They prepared a rehabilitation program accompanying the reflexology technique to rehabilitate the injury of the immobilized shoulder of the small degree and improve the range of movement and muscle strength working on the shoulder joint The sample was selected from the male patients aged (40-50) years. The muscle strength test was used using the force sensor, the shoulder range test from the flexion and extension position and the visual analog test to measure the level of pain. The study concluded that the pre-rehabilitati
... Show MoreTo produce Zinc Oxide NanoParticles, ZnO-NPs, different methods can be used. However, the utilization of Liquid-Phase Pulsed Laser Ablation, LP-PLA, methodology of three distinct environment of aqueous using pure zinc plate will be one of the approaches for this job. Thus, in this work, concentrates on the influence of the results after employing some changes on the environment in other words, the influence of the NPs size and/or the NPs availability/appearance. Cetyltrimethylammonium Bromide, CTAB, is one of the three surfactants that have been used in the water-based solution. That is, the Sodium Dodecyl Sulfate, SDS, besides the Distilled Water, DW, the three surfactants will be ready when the molarity of the DW is around 10− 3 M. Th
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