Preferred Language
Articles
/
EBZ7oooBVTCNdQwC5qJW
Tubular Magnetic Shielding Scan (TMSS): A New Technique for Molecular Space Exploration. (i) The Case of Aromaticity of Benzene and [<i>n</i>]Paracyclophanes

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.

Scopus Clarivate Crossref
View Publication
Publication Date
Sat Oct 20 2018
Journal Name
Journal Of Economics And Administrative Sciences
Calculate the Average Run Length (ARL) to Detect the Deviation in the Process A case Study in an Industrial Organization

 

Statistical control charts are widely used in industry for process and measurement control . in this paper we study the use of markov chain approach in calculating the average run length (ARL) of cumulative sum (Cusum) control chart for defect the shifts in the mean of process , and exponentially weighted moving average (EWMA) control charts for defect the shifts for process mean and , the standard deviation . Also ,we used the EWMA charts based on the logarithm of the sample variance for monitoring a process standard deviation when the observations (products are selected from al_mamun factory ) are identically and independently distributed (iid) from normal distribution in continuous manufacturing .

... Show More
View Publication Preview PDF
Crossref
Publication Date
Fri Jan 01 2021
Journal Name
Annals Of The Romanian Society For Cell Biology
Molecular study to the fungus Neosetophomasamarorum was isolated from Al Chabaish marsh, South of Iraq

IA Ali, FK Emran, DF Salloom, Annals of the Romanian Society for Cell Biology, 2021

View Publication
Publication Date
Sun Dec 31 2023
Journal Name
Advancements In Life Sciences
Molecular identification of Epstein-Barr virus in human placental tissue

Background: The Epstein-Barr virus (EBV) relates to the torch virus family and is believed to have a substantial impact on mortality and perinatal events, as shown by epidemiological and viral studies. Moreover, there have been documented cases of EBV transmission occurring via the placenta. Nevertheless, the specific location of the EBV infection inside the placenta remains uncertain. Methods: The genomic sequences connected to the latent EBV gene and the levels of lytic EBV gene expression in placental chorionic villous cells are examined in this work. A total of 86 placentas from patients who had miscarriage and 54 placentas from individuals who had successful births were obtained for analysis. Results: The research employed QPCR to dete

... Show More
Preview PDF
Scopus
Publication Date
Fri Jul 01 2022
Journal Name
Iraqi Journal Of Science
Molecular Analysis of Y Chromosome Microdeletions in Oligozoospermic Iraqi Patients

This study was designed to determine the correlation between Y chromosome azoospermia factor (AZF) subregions microdeletions and oligozoospermia in infertile men. Subjects included 50 infertile men with oligozoospermia who had been referred to the Fertility Center and infertility treatment in Kamal Al-Samarrai Hospital\Baghdad health office-Iraq. DNA was extracted from blood samples. Polymerase chain reaction (PCR) amplification of 3 loci spanning the AZFa, AZFb and AZFc subregions of the Y chromosome using sY84, sY127 and sY254 and were performed. The frequency of deletions involving AZFa subregion of the Y-chromosome was found in twelve of the patients (24%) in oligozoospermic infertile Iraqi men. While the other subregion (AZFb and AZ

... Show More
View Publication Preview PDF
Publication Date
Wed Nov 24 2021
Journal Name
Iraqi Journal Of Science
Molecular Detection of Suspected Leishmania Isolates Using Polymerase Chain Reaction

Leishmaniasis is a widespread parasitic disease that occurs as a result of infection with a unicellular parasite belonging to the genus Leishmania. Diagnosis by conventional methods is inaccurate and is not sensitive to confirm the genus infection. Here, we have investigated a methods for Leishmania genus diagnosis, which includes the technique of polymerase chain reaction to detect the presence of the parasite at in vitro for promastigote cultures using three genus-specific primer pairs to amplify HSP70, ITS, and ITS2. The results showed single band of ~1422, ~1020, and ~550 respectively. This study has proved the ability of these primer pairs to detect Leishmania infection and recommend them to be used for detection of leishmaniasis in

... Show More
View Publication Preview PDF
Crossref
Publication Date
Tue Dec 30 2008
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Adsorption of BTX Aromatic from Reformate by 13X Molecular Sieve

This work deals with separation of the aromatic hydrocarbons benzene, toluene, and xylene (BTX) from reformate. The separation was examined using adsorption by molecular sieve zeolite 13X in a fixed bed process. The concentration of aromatic hydrocarbons in the influent and effluent streams was measured using gas chromatography. The effect of flow rate and bed length of adsorbent on the adsorption of multicomponent hydrocarbons and adsorption capacity of molecular sieve was studied. The tendency of aromatic hydrocarbons adsorption from reformate is in the order: benzene >toluene>xylenes.

View Publication Preview PDF
Publication Date
Sun Jan 01 2017
Journal Name
The Iraqi Journal Of Agricultural Science 48 (5), 1197-1205‏
Sex identification of date palm by using dna molecular markers

Publication Date
Sun May 10 2020
Journal Name
Baghdad Science Journal
Molecular Analysis of Rifampicin Resistance Conferring Mutations in Mycobacterium tuberculosis

Mycobacterium tuberculosis resistance to rifampicin is mainly mediated through mutations in the rpoB gene. The effects of rpoB mutations are relieved by secondary mutations in rpoA or rpoC genes. This study aims to identify mutations in rpoB, rpoA, and rpoC genes of Mycobacterium tuberculosis isolates and clarify their contribution to rifampicin resistance. Seventy isolates were identified by acid-fast bacilli smear, Genexpert assay, and growth on Lowenstein Jensen medium. Drug susceptibility, testing was performed by the proportional method.  DNA extraction, PCR, and sequencing were accomplished for the entire rpoA, rpoB, and

... Show More
View Publication Preview PDF
Scopus (2)
Crossref (2)
Scopus Clarivate Crossref
Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Molecular Typing of Two Suspected Cutaneous Leishmaniasis Isolates in Baghdad

Leishmaniasis is a group of parasitic diseases caused by Leishmania spp., an endemic infectious agent in developing countries, including Iraq. Diagnosis of cutaneous lesion by stained smears, serology or histopathology are inaccurate and unable to detect the species of Leishmania. Here, two molecular typing methods were examined to identify the promastigotes of suspected cutaneous leishmaniasis samples, on a species level. The first was species-specific B6-PCR and the second was ITS1-PCR followed by restriction fragment length polymorphism (RFLP) using restriction enzyme HaeIII. DNA was extracted from in vitro promastigote culture followed by amplification of kDNA by B6 or amplification and digestion of LITSR/L

... Show More
View Publication Preview PDF
Scopus (6)
Crossref (2)
Scopus Clarivate Crossref
Publication Date
Sun Jan 01 2023
Journal Name
Plant Protection
Molecular Characterization of Cucumber Mosaic Virus Subgroup IB in Iraq

View Publication
Scopus Crossref