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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Mon Jan 01 2024
Journal Name
Lecture Notes In Networks And Systems
Implementing a Smart Low-Cost System for Diagnosing Bacteria in Women
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Publication Date
Fri Sep 06 2024
Journal Name
Journal Of Optics
Synthesis of N-A cysteine-capped CdTe QDs for optical biosensing
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In this investigation, water-soluble N-Acetyl Cysteine Capped-Cadmium Telluride QDs (NAC/CdTe nanocrystals), utilizing N-acetyl cysteine as a stabilizer, were prepared to assess their potential in differentiating between DNA extracted from pathogenic bacteria (e.g. Escherichia coli isolated from urine specimen) and intact DNA (extracted from blood of healthy individuals) for biomedical sensing prospective. Following the optical characterization of the synthesized QDs, the XRD analysis illustrated the construction of NAC-CdTe-QDs with a grain size of 7.1 nm. The prepared NAC-CdTe-QDs exhibited higher PL emission features at of 550 nm and UV-Vis absorption peak at 300 nm. Additionally, the energy gap quantified via PL and UV–Vis were 2.2 eV

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Publication Date
Fri May 03 2024
Journal Name
Journal Of Optics
Transmission Of 10 Gb/s For Underwater Optical Wireless Communication System
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Publication Date
Sun Sep 01 2024
Journal Name
Partial Differential Equations In Applied Mathematics
Perturbation iteration transform method for solving fractional order integro-differential equation
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Publication Date
Wed Sep 18 2024
Journal Name
Karbala International Journal Of Modern Science
Synthesis of ZnO: ZrO2 Nanocomposites Using Green Method for Medical Applications
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Publication Date
Mon Aug 19 2024
Journal Name
Journal Of Ovonic Research
Synthesis of PPy- Nd2O3 nano-composite for utilization in supercapacitor applications
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In this study, chemical oxidation was employed for the synthesis of polypyrrole (PPy) nanofiber. Furthermore, PPy has been subjected to treatment using nanoparticles of neodymium oxide (Nd2O3), which were produced and added in a certain ratio. The inquiry centered on the structural characteristics of the blend of polypyrrole and neodymium oxide after their combination. The investigation utilises X-ray diffraction (XRD), FTIR, and Field Emission Scanning Electron Microscopy (FE-SEM) for PPy, 10%, 30%, and 50% by volume of Nd2O3. According to the electrochemical tests, it has been noted that the nanocomposites exhibit a substantial amount of pseudocapacitive activity.

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Publication Date
Sat Mar 23 2024
Journal Name
Journal Of Optics
Review Recent Developments In High-Power Diode Lasers For Biomedical Applications
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Diode laser technology is well established for biomedicine applications which demand high-power pulse-wave. They are extensively utilized from medical imaging and testing to surgical therapies and the latest aesthetic processes. For medical therapeutic practices, diode lasers have become the ideal laser source for this particular purpose. In the last previous years, semiconductor laser technology has evolved to produce high-repetitions rate near-infrared pulsed lasers diodes that are dependable, low-cost, portable, and small-weight, about few grams. In this paper, we review the recent development and demonstration of diode laser devices for biomedical applications recorded in the latest years taking into account the power, wavelength, and p

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Publication Date
Mon Oct 09 2023
Journal Name
2023 Ieee 34th International Symposium On Software Reliability Engineering Workshops (issrew)
Semantics-Based, Automated Preparation of Exploratory Data Analysis for Complex Systems
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Publication Date
Wed Jun 29 2016
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
Effect of adding the Flavonoids from Zizypus spina-christi leaves in redox indicators of the fat extracted from Cows, Sheeps bones and storage on defferent temperature and periods.: Effect of adding the Flavonoids from Zizypus spina-christi leaves in redox indicators of the fat extracted from Cows, Sheeps bones and storage on defferent temperature and periods.
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Flavonoids were extracted from Zizyphus spina-christi leaves by Ethyl acetate after acid digested and used as antioxidant. The dried extract was added separately to each sample of fat extracted from hallow cow and sheep bones as follows: T1 cow fat, T2 control for cow fat, T3 sheep fat and T4 control for sheep fat (the control T2 and T4 reffered to samples without added antioxidant).
Samples were stored at -18, 5, 25 and 55 °C for 28 days. The storage trials were conducted at -18, 5 and 25 °C for 28 days for T1, T2, T3 and T4. The chemical indices examined initially and at the end of storage period. PVs was 1.46, 1.46, 1.8 and 1.8 meq/ Kg oil respectively, FFA values were 0.245, 0.245, 0.244 and 0.244% respectively and TBA va

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Publication Date
Thu Oct 18 2018
Journal Name
Iraqi Journal Of Market Research And Consumer Protection
STUDY OF THE TEMPORAL EFFECT OF THE LEVEL OF THE CREATINE KINASE ENZYME CK-MB AND SOME BIOMARKERS IN PATIENTS WITH MYOCARDIAL INFARCTION AND HEART FAILURE IN RAMADI CITY: STUDY OF THE TEMPORAL EFFECT OF THE LEVEL OF THE CREATINE KINASE ENZYME CK-MB AND SOME BIOMARKERS IN PATIENTS WITH MYOCARDIAL INFARCTION AND HEART FAILURE IN RAMADI CITY
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The current study is designed to achieve the goal of early detection of heart disease because it is the main risk of death. Some biomarkers were measured as well as the percentage of the effect of certain risk factors in people with myocardial infarction and heart failure. The study included 40 serum samples from people with heart disease. The effectiveness of the creatine kinase (CK-MB), as well as its temporal and albumin effects, as well as sodium ions in people with myocardial infarction and heart failure, were compared with the control group. as shown below:

-The first group consisted of 25 blood samples from people with myocardial infarction and 15 serum samples from people with heart failure. Blood

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