207 research outputs found

    Diamagnetic Anisotropy and Molecular Structure of Succinimide Derivatives

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    Box-Behnken design to enhance the corrosion resistance of high strength steel alloy in 3.5 wt.% NaCl solution

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    Recently, the production of green corrosion inhibitors and green inhibition strategies is highly demanded in the field of science and technology due to the growing demand of green chemistry. Usage of plant extracts as metallic corrosion inhibitors has attracted considerable attention in the last few decades. Plant products are perfect green candidates for replacing traditional toxic corrosion inhibitors. Reduced environmental risk, lower cost, widespread availability and high corrosion inhibition efficiency make plant extracts ideal candidates for the substitution of costly and harmful traditional synthetic corrosion inhibitors. An aqueous extract of plant material Henna (Lawsonia Inermis) powder was used as a corrosion inhibitor to control the corrosion of high strength steel immersed in an aqueous solution containing 35000 ppm Cl−, by electrochemical methods in the absence and presence of the inhibitor. Lawsone is the principal constituent of this plant extract. This has excellent efficiency in inhibition and displays excellent IE at neutral pH. Electro-chemical experiments such as potentiodynamic polarization and impedance were used to describe the mechanistic aspects of corrosion inhibitions. Box-Behnken method was used to investigate the effect of key parameters (i.e. concentration of inhibitors, temperature, and speed of rotation) on the efficiency of inhibition and corrosion rate of high strength steel alloy in 3.5 wt.% NaCl solutions. From electrochemical measurements and statistical analysis, it was found that the efficacy of inhibition improves with higher inhibitor concentration, low rotation speed and low temperature. The Lawsonia Inermis extracted demonstrated strong corrosion inhibition in saline media for high strength steel alloy and reached 81.68

    Synthesis of some new 4-(2,4-dimethyl-phenyl)-2H-phthalazinone derivatives

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    Aroylation of m-xylene by phthalic anhydride under Friedel craft’s reaction conditions to afford the corresponding o-aroylbenzoic acid derivative (2), which followed by cyclization reaction with hydroxylamine hydrochloride to produce the correlating benzoxazinone derivative (3), which was utilized as a precursor for the formation of some novel phthalazinone derivatives (4˗6). This transformation was achieved by interactions with thiosemicarbazide, thiocarbohydrazide, and hydrazine monohydrate and/or ammonium acetate under suitable conditions. 4-Substituted-1(2H)- phthalazinone derivative (6), which undergoes N-alkylation using ethyl bromoacetate to produce the phthalazinone acetic acid ethyl ester derivative (7), that followed by the interaction with hydrazine monohydrate to afford the phthalazinone acetic acid hydrazide derivative (8). The latter product was conducted with different aromatic acid compounds in presence of POCl3, to give the correlating oxadiazoles (9,10). The chemical structures of all the synthesized compounds are confirmed using physical and spectral data analyses like FT- IR, 1H-NMR, and mass spectroscopy

    Sequence Heterogeneity in NS5A of Hepatitis C Virus Genotypes 2a and 2b and Clinical Outcome of Pegylated-Interferon/Ribavirin Therapy

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    Pegylated-interferon plus ribavirin (PEG-IFN/RBV) therapy is a current standard treatment for chronic hepatitis C. We previously reported that the viral sequence heterogeneity of part of NS5A, referred to as the IFN/RBV resistance-determining region (IRRDR), and a mutation at position 70 of the core protein of hepatitis C virus genotype 1b (HCV-1b) are significantly correlated with the outcome of PEG-IFN/RBV treatment. Here, we aimed to investigate the impact of viral genetic variations within the NS5A and core regions of other genotypes, HCV-2a and HCV-2b, on PEG-IFN/RBV treatment outcome. Pretreatment sequences of NS5A and core regions were analyzed in 112 patients infected with HCV-2a or HCV-2b, who were treated with PEG-IFN/RBV for 24 weeks and followed up for another 24 weeks. The results demonstrated that HCV-2a isolates with 4 or more mutations in IRRDR (IRRDR[2a]≥4) was significantly associated with rapid virological response at week 4 (RVR) and sustained virological response (SVR). Also, another region of NS5A that corresponds to part of the IFN sensitivity-determining region (ISDR) plus its carboxy-flanking region, which we referred to as ISDR/+C[2a], was significantly associated with SVR in patients infected with HCV-2a. Multivariate analysis revealed that IRRDR[2a]≥4 was the only independent predictive factor for SVR. As for HCV-2b infection, an N-terminal half of IRRDR having two or more mutations (IRRDR[2b]/N≥2) was significantly associated with RVR, but not with SVR. No significant correlation was observed between core protein polymorphism and PEG-IFN/RBV treatment outcome in HCV-2a or HCV-2b infection. Conclusion: The present results suggest that sequence heterogeneity of NS5A of HCV-2a (IRRDR[2a]≥4 and ISDR/+C[2a]), and that of HCV-2b (IRRDR[2b]/N≥2) to a lesser extent, is involved in determining the viral sensitivity to PEG-IFN/RBV therapy

    Green synthesized extracts/Au complex of <i>Phyllospongia lamellosa</i>:unrevealing the anti-cancer and anti-bacterial potentialities, supported by metabolomics and molecular modeling

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    The anti-cancer and anti-bacterial potential of the Red Sea sponge Phyllospongia lamellosa in its bulk (crude extracts) and gold nanostructure (loaded on gold nanaoparticles) were investigated. Metabolomics analysis was conducted, and subsequently, molecular modeling studies were conducted to explore and anticipate the P. lamellosa secondary metabolites and their potential target for their various bioactivities. The chloroformic extract (CE) and ethyl acetate extract (EE) of the P. lamellosa predicted to include bioactive lipophilic and moderately polar metabolites, respectively, were used to synthesize gold nanoparticles (AuNPs). The prepared AuNPs were characterized through transmission electron microscopy (TEM), Fourier-transform infrared spectroscopy (FTIR), and UV–vis spectrophotometric analyses. The cytotoxic activities were tested against MCF-7, MDB-231, and MCF-10A. Moreover, the anti-bacterial, antifungal, and anti-biofilm activity were assessed. Definite classes of metabolites were identified in CE (terpenoids) and EE (brominated phenyl ethers and sulfated fatty amides). Molecular modeling involving docking and molecular dynamics identified Protein-tyrosine phosphatase 1B (PTP1B) as a potential target for the anti-cancer activities of terpenoids. Moreover, CE exhibited the most powerful activity against breast cancer cell lines, matching our molecular modeling study. On the other hand, only EE was demonstrated to possess powerful anti-bacterial and anti-biofilm activity against Escherichia coli. In conclusion, depending on their bioactive metabolites, P. lamellosa-derived extracts, after being loaded on AuNPs, could be considered anti-cancer, anti-bacterial, and anti-biofilm bioactive products. Future work should be completed to produce drug leads

    2-Methyl-6-(4-aminophenyl)-4,5-dihydro-3(2H)-pyridazinone Synthon for Some New Annelated 1,2,3-Selena/Thiadiazoles and 2H-Diazaphospholes with Anticipated Biological Activity and Quantum Chemical Calculations

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    A convenient and efficient synthetic protocol for the new selenadiazole. Thiadiazole and diazaphosphole derivatives incorporating a pyridazine moiety originating from 4-(4-aminophenyl)-4-oxobutanoic acid (1) were described. All newly synthesized compounds were evaluated for their antimicrobial activity using the disk diffusion method, and their cytotoxicity was evaluated against brine shrimp lethality bioassay. Using density functional theory (DFT), the frontier molecular orbital (FMO) and molecular electrostatic potential (MEPS) were studied to estimate the chemical reactivity and kinetic stability of each structure. Therefore, global descriptor parameters like electronegativity (chi), chemical hardness (eta), and global softness (sigma) were calculated. Consequently, the attained results were compared with the experimental data of the biological activity of the studied structures

    Solid variant of aneurysmal bone cyst of the thoracic spine: a case report

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    <p>Abstract</p> <p>Introduction</p> <p>The solid variant of aneurysmal bone cyst is rare, and only 13 cases involving the spine have been reported to date, including seven in the thoracic vertebrae. The diagnosis is difficult to secure radiographically before biopsy or surgery.</p> <p>Case report</p> <p>An 18-year-old Hispanic man presented to our facility with a one-year history of left chest pain without any significant neurological deficits. An MRI scan demonstrated a 6 cm diameter enhancing multi-cystic mass centered at the T6 vertebral body with involvement of the left proximal sixth rib and extension into the pleural cavity; the spinal cord was severely compressed with evidence of abnormal T2 signal changes. Our patient was taken to the operating room for a total spondylectomy of T6 with resection of the left sixth rib from a single-stage posterior-only approach. The vertebral column was reconstructed in a 360° manner with an expandable titanium cage and pedicle screw fixation. Histologically, the resected specimen showed predominant solid fibroblastic proliferation, with minor foci of reactive osteoid formation, an area of osteoclastic-like giant cells, and cyst-like areas filled with erythrocytes and focal hemorrhage, consistent with a predominantly solid variant of aneurysmal bone cyst. At 16 months after surgery, our patient remains neurologically intact with resolution of his chest and back pain.</p> <p>Conclusions</p> <p>Because of its rarity, location, and radical treatment approach, we considered this case worthy of reporting. The solid variant of aneurysmal bone cyst is difficult to diagnose radiologically before biopsy or surgery, and we hope to remind other physicians that it should be included in the differential diagnosis of any lytic expansile destructive lesion of the spine.</p

    Skin color-specific and spectrally-selective naked-eye dosimetry of UVA, B and C radiations

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    Spectrally–selective monitoring of ultraviolet radiations (UVR) is of paramount importance across diverse fields, including effective monitoring of excessive solar exposure. Current UV sensors cannot differentiate between UVA, B, and C, each of which has a remarkably different impact on human health. Here we show spectrally selective colorimetric monitoring of UVR by developing a photoelectrochromic ink that consists of a multi-redox polyoxometalate and an e− donor. We combine this ink with simple components such as filter paper and transparency sheets to fabricate low-cost sensors that provide naked-eye monitoring of UVR, even at low doses typically encountered during solar exposure. Importantly, the diverse UV tolerance of different skin colors demands personalized sensors. In this spirit, we demonstrate the customized design of robust real-time solar UV dosimeters to meet the specific need of different skin phototypes. These spectrally–selective UV sensors offer remarkable potential in managing the impact of UVR in our day-to-day life
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