In this study a DFT calculation on cyclopropanone, cyclopropandione and cyclopropantrione molecules was performed using the basis function 6-31G ** / MP2 and exchange correlation potential B3-LYP. The results showed that the ground state of all molecules geometry belong to the point group 𝐶2𝑣where a vibronic coupling between the vibrational motion with the electronic ground state in the molecule C3O3 this leads to a reduction in symmetry of the molecule from𝐷3â„Žto 𝐶2𝑣, the driving force of this process is accessing to the electronic configuration complies with Hückel aromatic systems with two electrons. Also in this, study the normal modes of vibration, frequencies, intensities and symm

New mode for the on-line determination of oxonium ion in different strong acids using CFIA via the use of homemade linear array Ayah 5Sx4-ST- 5D solar CFI analyser

Microbial Desalination Cell (MDC) is capable of desalinating seawater, producing electrical power and treating wastewater. Previously, chemical cathodes were used, which were application restrictions due to operational expenses are quite high, low levels of long-term viability and high toxicity. A pure oxygen cathode was using, external resistance 50 and 150 k Ω were studied with two concentrations of NaCl in the desalination chamber 15-25 g/L which represents the concentration of brackish water and sea water. The highest energy productivity was obtained, which amounted to 44 and 46 mW/m³, and the maximum limit for desalination of saline water was (31% and 26%) for each of 25 g / L and 15 g / L, respectively, when using an ex

The emergence of SARS-CoV-2, the virus responsible for the COVID-19 pandemic, has resulted in a global health crisis leading to widespread illness, death, and daily life disruptions. Having a vaccine for COVID-19 is crucial to controlling the spread of the virus which will help to end the pandemic and restore normalcy to society. Messenger RNA (mRNA) molecules vaccine has led the way as the swift vaccine candidate for COVID-19, but it faces key probable restrictions including spontaneous deterioration. To address mRNA degradation issues, Stanford University academics and the Eterna community sponsored a Kaggle competition.This study aims to build a deep learning (DL) model which will predict deterioration rates at each base of the mRNA

Methotrexate (MTX) is widely used chemotherapeutic agent with different side effects including germ cells toxicities. Silibinin is one of the structural isomers of silymarin, with different phytotherapeutic applications, and its possible protective effects against MTX induced germ cells damage were investigated in this work. Twenty five male mice were divided into five groups (n=5) allocated as follows: Group 1 received buffer for five days given by single intraperitoneal (IP) injection per day; Group 2 in addition to buffer for five days, animals received at day five single dose of 20mg/kg of MTX IP. Groups (3, 4, and 5) received respectively, (50, 100, or 150mg/kg body weight) of silibinin IP single daily dose for five days then at day fi

Countries have faced the challenges of high levels of public debt and seek to define the optimum limits to reduce risks to which the financial system can be exposed and its impact on the economy as a whole. Hence the importance of research in studying the impact of internal and external public debt components on indicators of stability of the financial system for the period 2005-2017 for the purpose of knowing the extent of the financial stability indicators response to the high level of the public debt from its optimum ratio, as the aim of the research is to estimate and analyze the dynamic relationship of short and long term between the components of public debt and indicators of financial stability using the (ARDL) model that

Variable selection in Poisson regression with high dimensional data has been widely used in recent years. we proposed in this paper using a penalty function that depends on a function named a penalty. An Atan estimator was compared with Lasso and adaptive lasso. A simulation and application show that an Atan estimator has the advantage in the estimation of coefficient and variables selection.

In this article, the numerical and approximate solutions for the nonlinear differential equation systems, represented by the epidemic SIR model, are determined. The effective iterative methods, namely the Daftardar-Jafari method (DJM), Temimi-Ansari method (TAM), and the Banach contraction method (BCM), are used to obtain the approximate solutions. The results showed many advantages over other iterative methods, such as Adomian decomposition method (ADM) and the variation iteration method (VIM) which were applied to the non-linear terms of the Adomian polynomial and the Lagrange multiplier, respectively. Furthermore, numerical solutions were obtained by using the fourth-orde Runge-Kutta (RK4), where the maximum remaining errors showed th

The water vapor is one of the constituent elements of the rain and the superiority
of its importance in the study of climate because it is the basis on which depends all
the different aspects of condensation. The purpose of research is to analyze the time
series of the Baghdad station andan analyze these series to see whether there is a
relationship between these two variables. Obtained the data used in this research
from the National Center for Environmental Prediction for the period from 1948 to
2011. The use of statistical criteria included linear regression and Mann Kandal test
to find the link. The results of time series monthly presence decrease in rainfall and
all months except October, either the results o