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.
Background: Phosphodiesterase-5 (PDE-5) inhibitorsrestore nitric oxide (NO) signaling and may reducecirculating inflammatory markers, and improve metabolicparameters through a number of mechanisms. Dailyadministration of the PDE-5 inhibitor, tadalafil (TAD) mayattenuate inflammation; improve fasting plasma glucose andtriglyceride levels and body weight. This study aims toevaluate the efficacy of low dose PDE-5 inhibitor, tadalafil(TAD) in controlling dysglycemia and body weight in obesediabetic men.Methods: Forty obese men with type 2 diabetes aged 30-50years incorporated in this study, all with A1c of 7-8.5%,attending obesity unit in AL-Kindy college of medicine.Weight, height, BMI, FPG, A1c, cholesterol, TG, HDL andLDL measured for all
... Show MoreThe rapid spread of novel coronavirus disease
(COVID19) throughout the world without available
specific treatment or vaccine necessitates alternative
options to contain the disease. Historically, children
and pregnant women were considered high-risk
population of infectious diseases but rarely have been
spotlighted nowadays in the regular COVID-19
updates, may be due to low global rates of incidence,
morbidity, and mortality. However, complications did
occur in these subjects affected by COVID-19. We
aimed to explore the latest updates of
immunotherapeutic perspectives of COVID-19
patients in general population and some added details
regarding pediatric and obstetrical practice.
Immune system boo
Receipt Date:10/11/2021 Acceptance Date:29/12/2021 Publication Date:31/12/2021
This work is licensed under a Creative Commons Attribution 4.0 International License.
The study aimed to clarify the conceptual explanations and the theoretical rooting of the concept of the populist phenomenon. And explore the political and cultural implications and connotations contained in populist political discourse. And to stand on the foundations and meanings on w
... Show MoreThis study was contacted on Orchidaceae, it is a second largest family in flowering plants, comes
after Asteraceae, and approximately has 25,000–30,000 species in 750–800 genera in the world.
This study included 10 genera, Anacamptis (five species), Androrchis (two species),
Cephalanthera (one species), Dactylorhiza (three species), Epipactis (two species),
Himantoglossum (two species), Limodorum (one species), Neotinea (one species), Ophrys (seven
species ), and Orchis (four species). The name abbreviation of authors of plant names follows the
International Plant Name Index (IPNI) (https://www.ipni.org/). Images of type collections of most
species were checked on virtual herbaria (https://he
The efficient sequencing techniques have significantly increased the number of genomes that are now available, including the Crenarchaeon Sulfolobus solfataricus P2 genome. The genome-scale metabolic pathways in Sulfolobus solfataricus P2 were predicted by implementing the “Pathway Tools†software using MetaCyc database as reference knowledge base. A Pathway/Genome Data Base (PGDB) specific for Sulfolobus solfataricus P2 was created. A curation approach was carried out regarding all the amino acids biosynthetic pathways. Experimental literatures as well as homology-, orthology- and context-based protein function prediction methods were followed for the curation process. The “PathoLogicâ€
... Show MoreThe infection with H. Pylori stimulates a signaling cascade that causes the generation of Cytokines and provokes Oxidative stress that is involved in the chronic inflammatory response leads to Gastric cancers. Reactive oxygen species (ROS) produce 8-Hydroxydeoxyguanosine (8-OHdG), the persistent oxidative DNA damage product. The study objective was to assess if there was a link between inflammatory cytokine levels and the presence of Oxidative DNA damage in Gastric tumor patients. In addition, evaluation of the diagnostic and prognostic value of Oxidative DNA damage and inflammatory cytokine biomarkers for Stomach cancers is being conducted. The study was accomplished on medically diagnosed Stomach cancer patients before any form of trea
... Show MoreDue to the remarkable progress in photovoltaic technology, enhancing efficiency and minimized the costs have emerged as global challenges for the solar industry. A crucial aspect of this advancement involves the creation of solar cell antireflection coating, which play a significant role in minimizing sunlight reflection on the cell surface. In this study, we report on the optimization of the characteristics of CeO2 films prepared by pulsed laser deposition through the variation of laser energy density. The deposited CeO2 nanostructure films have been used as an effective antireflection coating (ARC) and light-trapping morphology to improve the efficiency of silicon crystalline solar cell. The film’s thickness increases as laser fluence i
... Show MoreThis paper compares between the direct and indirect georeferencing techniques in Photogrammetry bases on a simulation model. A flight plan is designed which consists of three strips with nine overlapped images for each strip by a (Canon 500D) digital camera with a resolution of 15 Mega Pixels.
The triangulation computations are carried out by using (ERDAS LPS) software, and the direct measurements are taken directly on the simulated model to substitute using GPS/INS in real case. Two computational tests have been implemented to evaluate the positional accuracy for the whole model and the Root Mean Square Error (RMSE) relating to (30) check points show that th
... Show MoreBackground: Gingivitis is one of the most common and widely spread oral diseases in adolescents after dental caries occur in both developed and developing countries. Dental plaque is the main etiological factor of gingivitis. Another oral problem is enamel defect. The aim of this study was to estimate the oral hygiene (dental plaque), and determine the prevalence and severity of gingivitis and enamel defects among 16-17 years old secondary school female students in urban areas of Kirkuk city/Iraq. Materials and methods: A representative sample included in this study consisted of 750 secondary school female students distributed into 387 for the age sixteen and 363 for the age seventeen, they were selected randomly from different female secon
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