A recently reported Nile red (NR) dye conjugated with benzothiadiazole species paves the way for the development of novel organic-based sensitizers used in solar cells whose structures are susceptible to modifications. Thus, six novel NR structures were derived from two previously developed structures in laboratories. In this study, density functional theory (DFT) calculations and time-dependent DFT (TD-DFT) were used to determine the optoelectronic properties of the NR-derived moieties such as absorption spectra. Various linkers were investigated in an attempt to understand the impact of π-linkers on the optoelectronic properties. According to the findings, the presence of furan species led to the planarity of the molecule and a reduction in the band gap between the LUMO and the HOMO. Each one of the aforementioned molecules exhibited great delocalization of π-electrons. Based on the TD-DFT calculations, two furans had the highest value for the red-shift. There is an excellent correlation observed between the computed optoelectronic properties and calculated HOMO-LUMO gaps. In conclusion, the current work aimed at clarifying the impact of π-linkers on the photophysical properties of the NR-derived moieties. Also, the current study provided useful insights into the development of novel species used in optoelectronic devices.
The development of better tools for diagnosis and more accurate prognosis of cancer includes the search for biomarkers; molecules whose presence, absence or change in quantity or structure is associated with a particular tumour or prognosis/therapeutic outcome. While biomarkers need not be functionally relevant, if cell survival, then they could also provide new targets for therapeutic drugs. In recent years attention has been applied to a group of proteins known as cancer testis antigens (CT antigens) [1]. These proteins are products of genes whose expression was normally confined to the testis, yet they are expressed in tumour cells. CT genes are bound to serve a wide array of roles in the testes, which have many highly differentiated cel
... Show MoreThe agent-based modeling is currently utilized extensively to analyze complex systems. It supported such growth, because it was able to convey distinct levels of interaction in a complex detailed environment. Meanwhile, agent-based models incline to be progressively complex. Thus, powerful modeling and simulation techniques are needed to address this rise in complexity. In recent years, a number of platforms for developing agent-based models have been developed. Actually, in most of the agents, often discrete representation of the environment, and one level of interaction are presented, where two or three are regarded hardly in various agent-based models. The key issue is that modellers work in these areas is not assisted by simulation plat
... Show MoreAdvances in digital technology and the World Wide Web has led to the increase of digital documents that are used for various purposes such as publishing and digital library. This phenomenon raises awareness for the requirement of effective techniques that can help during the search and retrieval of text. One of the most needed tasks is clustering, which categorizes documents automatically into meaningful groups. Clustering is an important task in data mining and machine learning. The accuracy of clustering depends tightly on the selection of the text representation method. Traditional methods of text representation model documents as bags of words using term-frequency index document frequency (TFIDF). This method ignores the relationship an
... Show MoreThis paper presents a method to classify colored textural images of skin tissues. Since medical images havehighly heterogeneity, the development of reliable skin-cancer detection process is difficult, and a mono fractaldimension is not sufficient to classify images of this nature. A multifractal-based feature vectors are suggested hereas an alternative and more effective tool. At the same time multiple color channels are used to get more descriptivefeatures.Two multifractal based set of features are suggested here. The first set measures the local roughness property, whilethe second set measure the local contrast property.A combination of all the extracted features from the three colormodels gives a highest classification accuracy with 99.4
... Show MoreResulted in scientific and technological developments to the emergence of changes in the educational process and methods of teaching modern formats commensurate with the level of mental retardation. Which called for educational institutions, including the University of Baghdad / College of Fine Arts to urge and guide researchers to study and follow-up of recent developments in the educational process in order to develop in the fine arts in general and technical education in particular being play an important role in achieving educational goals. The educational methods of modern educational require effort-intensive and advanced for the development of technical skills among students, and thus worked researcher to employ computer technology
... Show MoreEnzymatic hydrolysis process of lignocellulosic biomass materials is difficult because of inherent structural features of biomass, which represents barriers that prevent complete hydrolysis; therefore, pretreatment techniques are necessary to render biomass highly digestible in enzymatic hydrolysis process. In this research, (non?) oxidative short-term lime pretreatment of willow wood was used. A weight of 11.40 g of willow wood was mixed with an excess of calcium hydroxide (0.4 g Ca(OH)2/g raw biomass) and water loading (15 g/g raw biomass). Lime pretreatment was carried out for various periods of time including 1, 2, 3.5, 5 and 6 h, with temperatures at 100, 113, 130, 147 and 1600C, and oxygen pressures as o
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