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Bonding, Aromaticity and Isomerization of Furfuraldehyde through <i>Off</i> ‐Nucleus Isotropic Magnetic Shielding
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Off-nucleus isotropic magnetic shielding (σiso(r)) and multi-points nucleus independent chemical shift (NICS(0-2 Å)) index were utilized to find the impacts of the isomerization of gas-phase furfuraldehyde (FD) on bonding and aromaticity of FD. Multidimensional (1D to 3D) grids of ghost atoms (bqs) were used as local magnetic probes to evaluate σiso(r) through gauge-including atomic orbitals (GIAO) at density functional theory (DFT) and B3LYP functional/6-311+G(d,p) basis set level of theory. 1D σiso(r) responses along each bond of FD were examined. Also, a σiso(r) 2D-scan was performed to obtain σiso(r) behavior at vertical heights of 0–1 Å above the FD plane in its cis, transition state (TS) and trans forms. New techniques for evaluating 2D σiso(r) cross-sections are also included. Our findings showed that bonds in cyclic and acyclic parts of FD are dissimilar. Unlike the C−O bond of furanyl, the C=O bond of the formyl group is magnetically different. C−C and C−H bonds in furanyl are found similar to those in aromatic rings. A unique σiso(r) trend was observed for the C2−C6 bond during FD isomerization. Based on NICS(0-2 Å) values, the degree of aromaticity follows the order of cis FD

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Publication Date
Tue Jul 01 2025
Journal Name
Journal Of Ecological Engineering
Enhancement of &lt;i&gt;Chlorella vulgaris&lt;/i&gt; bioethanol production by optimizing phosphorus concentrations
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This study investigated the bioethanol production from green algae Chlorella vulgaris depending on its carbohydrate-enriched biomass. Four different phosphorous concentrations were employed to stimulate bioethanol production from Chlorella vulgaris. The impact of various phosphorous values on Chlorella vulgaris growth rate as well as primary product (carbohydrate) were evaluated. High performance liquid chromatography was utilized in this work. The stationary phase was identified as day 14, 12, 10 and 6 in treatments 6, 4, 2 and g/L, respectively. The findings suggest that the treatment without phosphorous addition had the highest record of carbohydrate content (22.64% dry weight) as well as the highest bioethanol yield (20.66% dry weight).

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Publication Date
Tue Sep 05 2017
Journal Name
Cell Adhesion &amp; Migration
Periodontal pathogens promote epithelial-mesenchymal transition in oral squamous carcinoma cells <i>in vitro</i>
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Publication Date
Fri Dec 01 2023
Journal Name
Iranian Journal Of Medical Microbiology
Detection of Biologically Active Compounds in <i>Eriobotrya japonica</i> L. Seeds Extract and Determination of Their Effectiveness Against Dermatophytes
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Publication Date
Wed Jun 01 2022
Journal Name
Canadian Journal Of Chemistry
Hydrogenation of pyridine and hydrogenolysis of piperidine over <i>γ-</i>Mo<sub>2</sub>N catalyst: a DFT study
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Increasing demands on producing environmentally friendly products are becoming a driving force for designing highly active catalysts. Thus, surfaces that efficiently catalyse the nitrogen reduction reactions are greatly sought in moderating air-pollutant emissions. This contribution aims to computationally investigate the hydrodenitrogenation (HDN) networks of pyridine over the γ-Mo2N(111) surface using a density functional theory (DFT) approach. Various adsorption configurations have been considered for the molecularly adsorbed pyridine. Findings indicate that pyridine can be adsorbed via side-on and end-on modes in six geometries in which one adsorption site is revealed to have the lowest adsorption energy (

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Publication Date
Thu Nov 19 2020
Journal Name
Indonesian Journal Of Chemistry
Determination of Eugenol in Personal-Care Products by Dispersive Liquid-Liquid Microextraction Followed by Spectrophotometry Using &lt;i&gt;p&lt;/i&gt;-Amino-&lt;i&gt;N,N&lt;/i&gt;-dimethylaniline as a Derivatizing Agent
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Two simple methods for the determination of eugenol were developed. The first depends on the oxidative coupling of eugenol with p-amino-N,N-dimethylaniline (PADA) in the presence of K3[Fe(CN)6]. A linear regression calibration plot for eugenol was constructed at 600 nm, within a concentration range of 0.25-2.50 μg.mL–1 and a correlation coefficient (r) value of 0.9988. The limits of detection (LOD) and quantitation (LOQ) were 0.086 and 0.284 μg.mL–1, respectively. The second method is based on the dispersive liquid-liquid microextraction of the derivatized oxidative coupling product of eugenol with PADA. Under the optimized extraction procedure, the extracted colored product was determined spectrophotometrically at 618 nm. A l

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Publication Date
Mon Apr 01 2024
Journal Name
Egyptian Journal Of Basic And Applied Sciences
Exon 2 variants (rs3811046 and rs3811047) of the <i>IL37</i> gene are associated with susceptibility to systemic lupus erythematosus
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Publication Date
Thu Sep 01 2016
Journal Name
Journal Of Ocular Pharmacology And Therapeutics
Formulation and<i>In Vitro</i>Evaluation of Cyclosporine-A Inserts Prepared Using Hydroxypropyl Methylcellulose for Treating Dry Eye Disease
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Publication Date
Sun Jan 01 2023
Journal Name
Phyton
Toxic and Antifeedant Effects of Different Pesticidal Plant Extracts against Beet Armyworm (&lt;i&gt;Spodoptera exigua&lt;/i&gt;)
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The beet armyworm (BAW), Spodoptera exigua (Lepidoptera: Noctuidae) is a highly destructive pest of vegetables and field crops. Management of beet armyworm primarily relies on synthetic pesticides, which is threatening the beneficial community and environment. Most importantly, the BAW developed resistance to synthetic pesticides with making it difficult to manage. Therefore, alternative and environment-friendly pest management tactics are urgently required. The use of pesticidal plant extracts provides an effective way for a sustainable pest management program. To evaluate the use of pesticidal plant extracts against BAW, we selected six plant species (Lantana camara, Aloe vera, Azadirachta indica, Cymbopogon citratus, Nicotiana tabacum ,

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Publication Date
Mon Mar 03 2025
Journal Name
Iop Conference Series: Earth And Environmental Science
Study on Frequency of Hard Tick Isolated from Goat (<i>Capra hircus</i> Linnaeus, 1758) in Iraq
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Abstract<p>In Iraq, the domestic goat <italic>Capra hircus</italic> is valued as a valuable commercial resource. As obligatory ectoparasites, ixodid ticks cause significant harm to their animal hosts. Hard ticks parasitize the abdomen, inside limbs, ears, and head. Out of a total of 200 samples evaluated, 150 goat- infested samples had a total of 450 Hard ticks (303male and 147 female) and were infested at a rate of 75%. The results of the current research eight species of hard ticks were recognized. Goat species belonging to the family Ixodidae (Capra hircus: Linnaeus, 1758), obtained from distinct areas involving: the Iraqi capital Baghdad governorate [Al-Yusifiya], Al-Anbar governor</p> ... Show More
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Publication Date
Tue Feb 14 2017
Journal Name
Human And Ecological Risk Assessment: An International Journal
Biochemical and hematological parameters and histological alterations in fish <i>Cyprinus carpio</i> L. as biomarkers for water pollution with chlorpyrifos
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