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Excited-State Aromaticity Reversals in Naphthalene and Anthracene
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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.

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Publication Date
Sun Mar 13 2011
Journal Name
Baghdad Science Journal
Determination and evaluation of principal minerals in Negella sativa by atomic absorption technical methods
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Determination and evaluation of principal minerals in Negella sativa by atomic absorption technical methods were showed, using wet ashing method. This work was done on Negella sativa because of wide using of this plant in many formulations ( in food or medicine ).two types of atomic absorptions were used : first, flame atomic absorption spectroscopy, for minerals of high concentrations such as, Na, Mg, K, Fe, Ca, Li, Ni, Zn, Mn, Cu. Second, flameless atomic absorption spectroscopy, for minerals of low concentrations such as, Al, Si, V, B, Pb, Co, Cd, Cr ,Si, Hg, Sn .The results showed the existence of many minerals in Negella sativa useful to human sanity with acceptable dietary allowance. On other side, the presence of harmful m

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Publication Date
Mon Sep 30 2024
Journal Name
Iraqi Journal Of Science
Molecular and Immunological Detection of Hepatitis C Virus in Patients with Chronic Renal Failure
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Due to its association with hepatocellular carcinoma and being one of the ten most common malignancies worldwide, hepatitis C viral infection has become a severe public health concern. Therefore, establishing an accurate, reliable and sensitive diagnostic test for this infection is strongly advised. Real-time polymerase chain reaction (PCR) has been created to achieve this purpose. The current study was established to investigate the hepatitis C virus among Iraqi patients with chronic renal failure and to detect the virus immunologically by the fourth generation enzyme-linked immunosorbent assay technique and molecularly by real-time PCR. As a result, out of 50 patients with chronic renal failure undergoing dialysis, 39 patients tes

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Publication Date
Wed Apr 01 2015
Journal Name
Journal Of Economics And Administrative Sciences
The secondary vocational education and labor market requirements in Iraq (the period after 2003(
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Vocational education has great importance to comprehensive national development as it provides intermediate cadres able of operating the factories and laboratories in the farms and fields beside the work in the fields of health, service, administration and commercial. Due to the importance of this type of education in society, it is necessary to do a qualitative reform of vocational education in order to make the educational staffs get the necessary basic expertise to adapt the requirements of the labor market and try to rearrange and organize the workforce through put long-term economic and social policy through certain planning open to the workforce. The workforces structure according to gradual expansion in all the national ec

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Publication Date
Wed Mar 15 2023
Journal Name
Journal Of Medicinal And Chemical Sciences
Simple Spectrophotometric Method for Determination of Drug Lisinopril in Pure Form and Pharmaceutical Formulations
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Publication Date
Sun Feb 03 2019
Journal Name
Journal Of The College Of Education For Women
Reading of teacher s role and position in Ibn -Al - Kateeb s book , acquaintance
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0

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Publication Date
Mon Nov 09 2015
Journal Name
Nternational Conference On Modern Trends In English Language And Literature/ Applied Linguistics Theme
Investigating EFL College Student's Errors in Recognizing and Producing Modal Auxiliary Verbs
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DBN Dr. Liqaa Habeb, International Journal of Multidisciplinary Reseach, 2015

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Publication Date
Sun Mar 01 2009
Journal Name
Baghdad Science Journal
The Relationship Between Hyperglycemia and the Rheumatoid Factor in the Serum of Diabetic Patients
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This study was conducted to determine the relationship between two most common diseases in Iraqis patients , which are Diabetic mellitus (DM) and Rheumatoid Arthritis (RA); seeking rheumatoid factor in hyperglycemic sera. The results revealed that ; 62.5% of hyperglycemic (HG) patients had positive rheumatoid factor (RF) . No difference in number between both gender of HG patients (20 males and 20 females ) , RF reaction was nearly similar in males and females of HG patients ( 12 &13 respectively ) . Only 40% out of patient controls had positive RF . None of the apparently healthy subjects had positive RF .

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Publication Date
Fri Jun 15 2018
Journal Name
Journal Of Baghdad College Of Dentistry
Evaluation of serum levels Superoxide dismutase in women with polycystic ovarian syndrome and gingivitis
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Background: Polycystic ovary syndrome (PCOS) is the most common endocrine abnormality in women, there is an increasing evidence for an oxidative stress in PCOS that induce genomic and mitochondrial deoxyribonucleic acid damage that leads directly to reduced fertility. The objectives of this study are to assess and compare the periodontal health status by measuring clinical periodontal parameters (PLI, GI and BOP)as well as serum levels of superoxide dismutase at gingivitis ,gingivitis with PCOS and healthy periodontium groups, then correlate between clinical and biochemical parameters. Materials and Methods: 60 females with an age range between (25-40) years old had been tested and divided into3 groups ,the control group consists of (20) f

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Publication Date
Tue Jul 25 2017
Journal Name
J. Entomol. Zool. Studies
Histological and histochemical observations of the small Intestine in the indigenous Gazelle (Gazella subgutturosa)
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LO Hamza, NA Al-Mansor, J. Entomol. Zool. Studies, 2017 - Cited by 14

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Publication Date
Wed Jan 08 2020
Journal Name
Nursing & Health Sciences
Medication adherence and predictive factors in patients with cardiovascular disease: A cross‐sectional study
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Abstract<p>Adherence to cardiac medications makes a significant contribution to avoidance of morbidity and premature mortality in patients with cardiovascular disease. This quantitative study used cross‐sectional survey design to evaluate medication adherence and contributing factors among patients with cardiovascular disease, comparing patients who were admitted to a cardiac ward (<italic>n</italic> = 89) and those attending outpatient cardiac rehabilitation (<italic>n</italic> = 31) in Australia. Data collection was completed between October 2016 and December 2017. Descriptive and regression analyses were conducted to identify medication adherence and determine factors independently pred</p> ... Show More
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