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.
This paper predicts the resilient modulus (Mr) for warm mix asphalt (WMA) mixtures prepared using aspha-min. Various predictor variables were analyzed, including asphalt cement types, asphalt contents, nominal maximum aggregate sizes (NMAS), filler content, test temperatures, and loading times. Univariate and multivariate analyses were conducted to examine the behavior of each predictor variable individually and collectively. Through univariate analysis, it was observed that Mr exhibited an inverse trend with asphalt cement grade, NMAS, test temperature, and load duration. Although Mr increased slightly with higher filler and asphalt content, the magnitude of this increase was minimal. Multivariate analysis revealed that the rate of change
... Show MoreThis work comprises the synthesis of new phenoxazine derivatives containing N-substituted phenoxazine starting from phenoxazine (1). Synthesis of ethyl acetate phenoxazine (2) through the reaction of phenoxazine with ethylchloroacetate, which reacted with hydrazine hydrate to give 10-aceto hydrazide phenoxazine (3), then reacted with formic acid to give 10-[N-formyl acetohydrazide] phenoxazine (4). Reaction of compound (4) with phosphorous pentaoxide or phosphorus pentasulphide to gave 10-[N-methylene-1,3,4-oxadiazole] phenoxazine (5) and 10-[N-methylene-1,3,4-thiadiazole] phenoxazine (6).
Liquid-crystalline organic semiconductors exhibit unique properties that make them highly interesting for organic optoelectronic applications. Their optical and electrical anisotropies and the possibility to control the alignment of the liquid-crystalline semiconductor allow not only to optimize charge carrier transport, but to tune the optical property of organic thin-film devices as well. In this study, the molecular orientation in a liquid-crystalline semiconductor film is tuned by a novel blading process as well as by different annealing protocols. The altered alignment is verified by cross-polarized optical microscopy and spectroscopic ellipsometry. It is shown that a change in alignment of the
The consumption of fresh fruits has increased nowadays due to the lifestyle of the consumers. Maintaining the quality and nutritional value of cut fruits during storage is difficult compared to whole fruits. Deterioration of internal and external quality usually occurs in freshly harvested fruits. It is necessary to use different techniques to maintain the quality and increase the shelf life of the freshly cut product. This research studied the effect of treating apple slices with cold plasma once and with filtered water again on quality characteristics (hardness, moisture content, sugar content, carbohydrate content, and color) after being stored for five days. The best treatment was determined using two different pressures of the plasma j
... Show MoreOne of the most important problems facing the world today is the energy problem. The solution was in finding renewable energy sources such as solar energy. The solar energy applications in Iraq is facing many problems . One of the most important problems is the accumulation of dust on the solar panels surface which causes decreasing its performance sharply. In the present work, a new technique was presented by using two-axis solar tracking system to reduce the accumulated dust on the solar panel surface and compared it with the fixed solar panels which installed at tilt angles 30° and 45°. The results indicated that the maximum losses of the output power due to accumulation of dust on the fixed solar panels is about 31.4% and 23.1% res
... Show MoreThis report explores emerging techniques to boost multimedia transfer effectiveness, given the escalating need for improved quality and performance in multimedia interactions. The analysis involves a thorough literature assessment and comparison of present strategies to pinpoint key tendencies and propose novel approaches. The methodology involves examining recent technological enhance ments in video coding standards, quality appraisal methods, and compression tech niques. Specific domains investigated comprise firmware component architectures, 4D indexing structures, and iterative filtering frameworks. The study in addition weighs tradeoffs between video quality, encoding intricacy, and bitrate demands. Key determinations consist of
... Show MoreStrong and ∆-convergence for a two-step iteration process utilizing asymptotically nonexpansive and total asymptotically nonexpansive noneslf mappings in the CAT(0) spaces have been studied. As well, several strong convergence theorems under semi-compact and condition (M) have been proved. Our results improve and extend numerous familiar results from the existing literature.
Visual analytics becomes an important approach for discovering patterns in big data. As visualization struggles from high dimensionality of data, issues like concept hierarchy on each dimension add more difficulty and make visualization a prohibitive task. Data cube offers multi-perspective aggregated views of large data sets and has important applications in business and many other areas. It has high dimensionality, concept hierarchy, vast number of cells, and comes with special exploration operations such as roll-up, drill-down, slicing and dicing. All these issues make data cubes very difficult to visually explore. Most existing approaches visualize a data cube in 2D space and require preprocessing steps. In this paper, we propose a visu
... Show MoreIn this work, we construct the projectively distinct (k, n)-arcs in PG (3, 4) over Galois field GF (4), where k 5, and we found that the complete (k, n)-arcs, where 3 n 21, moreover we prove geometrically that the maximum complete (k, n)-arc in PG (3, 4) is (85, 21)-arc. A (k, n)-arcs is a set of k points no n+ 1 of which are collinear. A (k, n)-arcs is complete if it is not contained in a (k+ 1, n)-arcs
This researchpaper includes the incorporation of Alliin at various energy levels and angles
With Metformin using Gaussian 09 and Gaussian view 06. Two computers were used in this work. Samples were generated to draw, integrate, simulate and measure the value of the potential energy surface by means of which the lowest energy value was (-1227.408au). The best correlation compound was achieved between Alliin and Metformin through the low energy values where the best place for metformin to b
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