Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.
This study identified the genus Coelastrella Chodat, 1922 which was isolated from a sediment sample taken from the Tigris river in Baghdad Governorate, Iraq. The alga was isolated and cultured in modified Chu 10 media and the morphological features of the isolated algae were observed in light microscopy (LM); it showed some characteristic features of this genus, such as its ellipsoidal or lemon- shaped cells, a visible pyrenoid and the chloroplast parietal. To ensure correct identification of the isolated alga, a molecular analysis using 18S rRNA gene and DNA sequencing revealed a match with C. terrestris (Reisigl) Hedewald & N. Hanagata 2002. This species is a new record in Iraq
... Show MoreManufacturing high-efficiency polymeric materials to moderate fast neutrons by converting them into slow or thermal neutrons. These materials absorb thermal neutrons as well as gamma rays associated with neutrons. Materials of small mass number are used to slow down fast neutrons because neutrons have a high cross-section when they interact with these materials. Materials of high mass number absorb gamma rays. Polyurethane and epoxy were mixed in various ratios to create a blend to serve as neutrons shield, lead (Pb) was then added to the blend at weight percentages of 20%, 30%, 40%, 50%, and 70% to produce a polymer composite.
Polymeric materials reinforced with lead in various ratios were tested to select the best
... Show MoreCT scan features of Malignant Meningioma
Objective: Meningioma which is a common benign Brain tumor can be malignant, but the final decision is by biopsy. However CT. Scan features can help to evaluate malignancy of a lesion.
The aim of this retrospective study is to look for the malignant features of a malignant meningioma .
Patients and Methods: This is a retrospective study of 50 malignant meningiomas in the neurosurgical unit in the specialized surgical hospital (previously AL-Shaheed Adnan hospital), for the period from March 1992 to March 2007. We search specially for Malignant features on the CT scan study of the patients.
Results: 94%of the patients had different features of malignant men
Euphemisms are advantageous in people’s social life by turning sensitive into a more acceptable ones so that resentful feelings and embarrassment can be avoided. This study investigates the ability of Iraqi English learners in using euphemistic expressions, meanwhile, raising their awareness and the faculty members in English teaching faculties regarding the relevance of discussing the topics that demand euphemisation. This study comprised three stages: initial test, explicit instruction with activities, and a final test for the students’ development in this domain. A test has been distributed among 50 respondents, who are at the fourth year of their undergraduate study at the University of Babylon/ College of Basic Education. The lo
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A new series of bases of Schiff (H2-H4) derived from phthalic anhydrideweresynthesized. These Schiff bases were prepared by the reaction of different amines (tyrosine methyl ester, phenylalanine methyl ester, and isoniazid) with the phthalimide derived aldehyde with the aid of glacial acetic acid or triethylamine ascatalysts. All the synthesized compounds were characterized by (FT-IR and 1HNMR) analyses and were in vitro evaluated for their antimicrobial activity against six various kinds of microorganisms. All the synthesized compounds had been screened for their antimicrobial activity against two Gram-positive bacteria “Staph. Aureus, and Bacillus subtilis
... Show MoreGeologic modeling is the art of constructing a structural and stratigraphic model of a reservoir from analyses and interpretations of seismic data, log data, core data, etc. [1].
A static reservoir model typically involves four main stages, these stages are Structural modeling, Stratigraphic modeling, Lithological modeling and Petrophysical modeling [2].
Ismail field is exploration structure, located in the north Iraq, about 55 km north-west of Kirkuk city, to the north-west of the Bai Hassan field, the distance between the Bai Hassan field and Ismael field is about one kilometer [3].
Tertiary period reservoir sequences (Main Limestone), which comprise many economica
... Show MoreA reliability system of the multi-component stress-strength model R(s,k) will be considered in the present paper ,when the stress and strength are independent and non-identically distribution have the Exponentiated Family Distribution(FED) with the unknown shape parameter α and known scale parameter λ equal to two and parameter θ equal to three. Different estimation methods of R(s,k) were introduced corresponding to Maximum likelihood and Shrinkage estimators. Comparisons among the suggested estimators were prepared depending on simulation established on mean squared error (MSE) criteria.
The Bouguer gravity and magnetic RTP data were used to detect the depth of basement rocks in middle and south Diyala Province, east Iraq. The depth of the basement rocks was calculated by using the Source Parameter Imaging (SPI) method. New attempt is achieved to applied the SPI technique to the gravity values to estimate the depth of basement rocks. The depths of basement map derived from gravity data range 8-14 km, the depth of basement map derived from magnetic data range 9-13.5 km and the basement depth prepared by C.G.G, 1974 range 9-11 km. The derived maps from SPI method and that prepared by C.G.G, 1974 show good matching in the distribution of the depths of the study area. This study showed that basement’s depth range from
... Show MoreA new ligand [N-(acetyl amino) thioxomethyl] valine was prepared from the reaction of acetyl iso thiocyanate with valine. The ligand was characterized by FT-IR, UV- vis and 1HNMR spectrum, The complexes with some metal ions (M +2 =Co,Ni,Cu,Zn,Cd,Hg) have been prepared and characterized. The structural diagnosis were established by IR,UV-Vis spectrum, flame atomic absorption spectroscopy conductivity and magnetic susceptibility ,the complexes showed tetrahedral geometry around the metal l.