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.
Optimization procedures using a variety of input parameters have gotten a lot of attention, but using three non-edible seed oils of Jatropha (Jatropha curcas), Sesame (Sesamum indicum), and Sweet Almond (Prunusamygdalus dulcis) has a few advantages, including availability and non-food competitiveness. Optimizing a two-stage trans-esterification process using a sodium hydroxide-based catalyst at a fixed catalyst (1.0wt %) and temperature (60 oC) while varying molar ratio (1:3, 1:6, 1:12), time (20–60 min), and mixing speed (500–1000 rpm), to produce optimal responses of yields were studied using response surface methodology (RSM). The optimization solution of molar ratio (1:3), time (40.9 min.),
... Show MoreInternal conversion coefficients (ICC) and electron–positron pair conversion coefficients (PCC) for multipole transition of the core nucleus 88Sr have been calculated theoretically. The calculation is based on the relativistic Dirac–Fock (DF) solutions using the so called ‘‘Frozen Orbital’’ approximation, takes into account the effect of atomic vacancies created in the conversion process, covering a transition energies of 1–5000 keV. A large number of points were used to minimize any errors due to mesh-size effects. The internal conversion coefficients display a smooth monotonic dependence on transition energy, multipolarity and atomic shell. Comparing the values of PCC to ICC, it is interesting to note, that the energy dep
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The teacher is the most able to achieve the goals of education in education because he has the ability to affect the behavior of the disciples testified and its actions and appearance and other actions that convey pupils with it sometimes in a manner unconscious or unconscious , and the importance of the role of the teacher in the educational process , it is necessary to compromise the care and attention to the extent that commensurate with the important role that the rise in the preparation of youth and composition , and as a result is needed to continue efforts to improve the quality of teacher preparation so that it can be more effective and positive in the educational process .
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Oily wastewater is one of the most challenging streams to deal with especially if the oil exists in emulsified form. In this study, electrospinning method was used to prepare nanofiberous polyvinylidene fluoride (PVDF) membranes and study their performance in oil removal. Graphene particles were embedded in the electrospun PVDF membrane to enhance the efficiency of the membranes. The prepared membranes were characterized using a scanning electron microscopy (SEM) to verify the graphene stabilization on the surface of the membrane homogeneously; while FTIR was used to detect the functional groups on the membrane surface. The membrane wettability was assessed by measuring the contact angle. The PVDF and PVDF / Graphene membranes efficiency
... Show MoreIn this paper, two parameters for the Exponential distribution were estimated using the
Bayesian estimation method under three different loss functions: the Squared error loss function,
the Precautionary loss function, and the Entropy loss function. The Exponential distribution prior
and Gamma distribution have been assumed as the priors of the scale γ and location δ parameters
respectively. In Bayesian estimation, Maximum likelihood estimators have been used as the initial
estimators, and the Tierney-Kadane approximation has been used effectively. Based on the MonteCarlo
simulation method, those estimators were compared depending on the mean squared errors (MSEs).The results showed that the Bayesian esti
The aim of our study is to solve a nonlinear epidemic model, which is the COVID-19 epidemic model in Iraq, through the application of initial value problems in the current study. The model has been presented as a system of ordinary differential equations that has parameters that change with time. Two numerical simulation methods are proposed to solve this model as suitable methods for solving systems whose coefficients change over time. These methods are the Mean Monte Carlo Runge-Kutta method (MMC_RK) and the Mean Latin Hypercube Runge-Kutta method (MLH_RK). The results of numerical simulation methods are compared with the results of the numerical Runge-Kutta 4th order method (RK4) from 2021 to 2025 using the absolute error, which prove
... Show MoreExtension of bandwidth for high reflectance zone for the spectral region (8-14pm) was studied adapting the concept of contiguous and overlapping high reflectance stacks. Computations was carried out using the modified characteristic matrix theory restricted to near-normal incidence of light on dielectric , homogenous and isotropic symmetrical stack. Certain precautions must be taken in the choice of stacks to avoid deep —reflectance minima from developing within the extended high reflectance region. Results illustrate that the techniques of extending the high reflectance regions are applicable not only to mirrors , but also to short-and long-edge filter and to narrow band pass filters.
General medical fields and computer science usually conjugate together to produce impressive results in both fields using applications, programs and algorithms provided by Data mining field. The present research's title contains the term hygiene which may be described as the principle of maintaining cleanliness of the external body. Whilst the environmental hygienic hazards can present themselves in various media shapes e.g. air, water, soil…etc. The influence they can exert on our health is very complex and may be modulated by our genetic makeup, psychological factors and by our perceptions of the risks that they present. Our main concern in this research is not to improve general health, rather than to propose a data mining approach
... Show MoreThe problem of research is to identify the uses of Iraqi women for Facebook and the motives of these uses and the innovations that have been achieved from them, in view of the increasing role-played by social networking sites in the lives of individuals in general and women in particular.The research seeks to identify the following: Identify the extent to which Iraqi women use Facebook and the usage motives and innovations achieved by the interviewees When they using Facebook. This study belongs to the descriptive studies that are interested in monitoring the characteristics of a particular phenomenon to identify its characteristics and characteristics.This study adopted the survey methodology to test the hypotheses of the study and how
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