Aromaticity reversals between the electronic ground (S0) and low-lying singlet (S1, S2) and triplet (T1, T2, T3) states of naphthalene and anthracene are investigated by calculating the respective off-nucleus isotropic magnetic shielding distributions using complete-active-space self-consistent field (CASSCF) wavefunctions involving gauge-including atomic orbitals (GIAOs). The shielding distributions around the aromatic S0, antiaromatic S1 (1Lb), and aromatic S2 (1La) states in naphthalene are found to resemble the outcomes of fusing together the respective S0, S1, and S2 shielding distributions of two benzene rings. In anthracene, 1La is lower in energy than 1Lb, and as a result, the S1 state becomes aromatic, and the S2 state becomes antiaromatic; the corresponding shielding distributions are found to resemble extensions by one ring of those around the S2 and S1 states in naphthalene. The lowest antiaromatic singlet state of either molecule is found to be significantly more antiaromatic than the respective T1 state, which shows that it would be incorrect to assume that the similarity between the (anti)aromaticities of the S1 and T1 states in benzene, cyclobutadiene, and cyclooctatetraene would be maintained in polycyclic aromatic hydrocarbons.
This research aims to clarify the concept of doctrinal rules and adjust its basic terminologies. It further aims to lay down a map for the method of rooting this science by mentioning its rooted sources, in addition to drawing a miniature picture of its history, origin, formation and development. The paper ends with practical models to highlight its importance in rooting the science of nodal rules and facilitating the mentioning of its scattered discussions in a short and comprehensive phrase. The study further illustrates the pioneering role of doctrinal rules science in managing the doctrinal disputes, combining multiple sayings, and in bringing together opposing opinions. The study follows the inductive, descriptive and analytical app
... Show MoreBackground: Asthma is a pulmonary disorder characterized by reversible stenosis of the peripheral bronchi. This disease could affect the oral health; as a result asthmatic patients may have a higher risk of developing dental diseases. This study was conducted to evaluate the caries experience and salivary elements among asthmatic patients using Ventoline inhaler. Materials and methods: The study group consisted of 30 male asthmatic patients with an age range 20-24years (under Ventoline inhaler). The control group includes 30 subjects matching with study group in age and gender. Plaque and DMFS index were used for recording caries experience. Stimulated salivary samples were collected and then salivary flow rate, S-IgA and salivary elements
... Show MoreThe Current status of biomedical waste of solid, liquid and gaseous formulations from medical and educational laboratories in Iraqi universities and research centers was assessed using a well-structured questionnaire. The questionnaire was distributed to scientists, researchers, medical technicians and graduate students who are directly involved in laboratoiy daily activities. The responses were analyzed statistically and interpreted accordingly. The results showed diat the frequency of questionnaire respondent's affiliation gave the highest percentage frequency (69.4%) with the questionnaire of Technical Medical Institute/Al-Mansour while constitute die responses of the Dnig Control Department/Ministry of Sciences and Technology gave the l
... Show MoreTwo main grand bus national stations in Baghdad ( Alawi-alhila and Bab-almudam) were chosen as examples to determine lead effect on its drivers. This lead came from ethyl tetra lead or ethyl tri lead which used to improve gasoline quality ,so these two stations could be consider as two of the most polluted places due to gasoline burned by hundreds cars located in these stations .The determination of environmental lead pollution was measured in blood and urines drivers. Drivers were divided in two main groups due to their ages ( 30 persons in each group). The first group for men of 22-30 years old. The second group for men of 40-60 years old. Those men were carefully chosen in order to be non-fumiers or non-alcoholics persons because of
... Show MoreProstate cancer is an important and potentially fatal disease in humans. Both genetic and environmental risk factors are associated with increased risk of prostate cancer among Asian pop
The insurance companies are one of the organizations that rely mainly on human capital to underwriting to insurable risks because most of risks have many variables, so the aim of the research is to show the level of interest of the researched company in human capital, the reality of the underwriting policy in it, and the relationships of correlation and effect between them, and the approach has been used Analytical descriptive, as books, research and other related sources were used for the purpose of completing the theoretical side, on the practical side, a questionnaire was prepared, which represents the main tool for collecting data and distributed to a random sample of 64 people from underwriting managers and employees in spec
... Show MoreVaccination is a vital cornerstone of public health, which has saved countless lives throughout history. Therefore, achieving high vaccination uptake rates is essential for successful vaccination programs. Unfortunately, vaccine uptake has been hindered by deferent factors and challenges. The objective of this study is to assess COVID-19 vaccine uptake and associated factors among the general population.
This study is a descriptive cross-sectional study conducted in Basmaia city, Baghdad from June to October 2022. Data were collected through a semi-structured questionnaire using multi-stag