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derivatives</title> <meta name="description" content="Search results for: triazole derivatives"> <meta name="keywords" content="triazole derivatives"> <meta name="viewport" content="width=device-width, initial-scale=1, minimum-scale=1, maximum-scale=1, user-scalable=no"> <meta charset="utf-8"> <link href="https://cdn.waset.org/favicon.ico" type="image/x-icon" rel="shortcut icon"> <link href="https://cdn.waset.org/static/plugins/bootstrap-4.2.1/css/bootstrap.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/plugins/fontawesome/css/all.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/css/site.css?v=150220211555" rel="stylesheet"> </head> <body> <header> <div class="container"> <nav class="navbar navbar-expand-lg navbar-light"> <a class="navbar-brand" href="https://waset.org"> <img src="https://cdn.waset.org/static/images/wasetc.png" alt="Open Science Research Excellence" title="Open Science Research Excellence" /> </a> <button class="d-block d-lg-none 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action="https://publications.waset.org/abstracts/search"> <div id="custom-search-input"> <div class="input-group"> <i class="fas fa-search"></i> <input type="text" class="search-query" name="q" placeholder="Author, Title, Abstract, Keywords" value="triazole derivatives"> <input type="submit" class="btn_search" value="Search"> </div> </div> </form> </div> </div> <div class="row mt-3"> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Commenced</strong> in January 2007</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Frequency:</strong> Monthly</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Edition:</strong> International</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Paper Count:</strong> 596</div> </div> </div> </div> <h1 class="mt-3 mb-3 text-center" style="font-size:1.6rem;">Search results for: triazole derivatives</h1> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">596</span> Synthesis and Evaluation of Anti-Cancer Activity on Human Breast Cancer Cell Line MFC7 of Some Novel Thiazolidino (3,2-b)-1, 2,4-Triazole-5(6H)-one Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Kamta%20P.%20Namdeo">Kamta P. Namdeo</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Novel thiazolidino-(3,2-b)-1, 2,4-triazole-5(6H)-one derivatives were synthesized, and anticancer activity was studied on human breast cancer cell line MFC7. It showed a significant decrease in cell viability with reference to the standard. The findings suggest that nitro-substituted compound showed best anticancer activity and activity was due to the triazole and thiazolidinone hetero nucleus present in the structure. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=anti-cancer" title="anti-cancer">anti-cancer</a>, <a href="https://publications.waset.org/abstracts/search?q=adriamycine" title=" adriamycine"> adriamycine</a>, <a href="https://publications.waset.org/abstracts/search?q=thiazolidinone" title=" thiazolidinone"> thiazolidinone</a>, <a href="https://publications.waset.org/abstracts/search?q=1" title=" 1"> 1</a>, <a href="https://publications.waset.org/abstracts/search?q=2" title=" 2"> 2</a>, <a href="https://publications.waset.org/abstracts/search?q=4-triazole" title="4-triazole">4-triazole</a>, <a href="https://publications.waset.org/abstracts/search?q=thiazolidino-triazolone" title=" thiazolidino-triazolone"> thiazolidino-triazolone</a> </p> <a href="https://publications.waset.org/abstracts/1450/synthesis-and-evaluation-of-anti-cancer-activity-on-human-breast-cancer-cell-line-mfc7-of-some-novel-thiazolidino-32-b-1-24-triazole-56h-one-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/1450.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">375</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">595</span> Quantitative Structure Activity Relationship Model for Predicting the Aromatase Inhibition Activity of 1,2,3-Triazole Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=M.%20Ouassaf">M. Ouassaf</a>, <a href="https://publications.waset.org/abstracts/search?q=S.%20Belaidi"> S. Belaidi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Aromatase is an estrogen biosynthetic enzyme belonging to the cytochrome P450 family, which catalyzes the limiting step in the conversion of androgens to estrogens. As it is relevant for the promotion of tumor cell growth. A set of thirty 1,2,3-triazole derivatives was used in the quantitative structure activity relationship (QSAR) study using regression multiple linear (MLR), We divided the data into two training and testing groups. The results showed a good predictive ability of the MLR model, the models were statistically robust internally (R² = 0.982) and the predictability of the model was tested by several parameters. including external criteria (R²pred = 0.851, CCC = 0.946). The knowledge gained in this study should provide relevant information that contributes to the origins of aromatase inhibitory activity and, therefore, facilitates our ongoing quest for aromatase inhibitors with robust properties. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=aromatase%20inhibitors" title="aromatase inhibitors">aromatase inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=QSAR" title=" QSAR"> QSAR</a>, <a href="https://publications.waset.org/abstracts/search?q=MLR" title=" MLR"> MLR</a>, <a href="https://publications.waset.org/abstracts/search?q=1" title=" 1"> 1</a>, <a href="https://publications.waset.org/abstracts/search?q=2" title="2">2</a>, <a href="https://publications.waset.org/abstracts/search?q=3-triazole" title="3-triazole">3-triazole</a> </p> <a href="https://publications.waset.org/abstracts/100877/quantitative-structure-activity-relationship-model-for-predicting-the-aromatase-inhibition-activity-of-123-triazole-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/100877.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">115</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">594</span> Searching for Novel Scaffolds of Triazole Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Tomasz%20Fr%C4%85czek">Tomasz Frączek</a>, <a href="https://publications.waset.org/abstracts/search?q=Agata%20Paneth"> Agata Paneth</a>, <a href="https://publications.waset.org/abstracts/search?q=Rafa%C5%82%20Kami%C5%84ski"> Rafał Kamiński</a>, <a href="https://publications.waset.org/abstracts/search?q=Agnieszka%20Krakowiak"> Agnieszka Krakowiak</a>, <a href="https://publications.waset.org/abstracts/search?q=Piotr%20Paneth"> Piotr Paneth</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Azoles are a promising class of the new generation of HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs). From thousands of reported compounds, many possess the same basic structure of an aryl substituted azole ring linked by a thioglycolamide chain with another aromatic ring. To find novel extensions for this primary scaffold, we explored the 5-position substitution of triazole NNRTIs using molecular docking followed by synthesis of selected compounds. We discovered that heterocyclic substituents in 5-position of the triazole ring are detrimental to the inhibitory activity of compounds with 4-membered thioglycolamide linker. This substitution seems to be viable only for compounds with a shorter 2-membered linker such as in derivatives of 4‐benzyl‐3‐(benzyl-sulfanyl)‐5‐(thiophen‐2‐yl)‐4H‐1,2,4‐triazole reported earlier. A new scaffold of 2‐[(4‐benzyl‐5‐methyl‐4H‐1,2,4‐triazol‐3‐yl)sulfanyl]‐N‐phenylacetamide has been identified in this study. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=docking" title="docking">docking</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20modeling" title=" molecular modeling"> molecular modeling</a>, <a href="https://publications.waset.org/abstracts/search?q=drug%20design" title=" drug design"> drug design</a>, <a href="https://publications.waset.org/abstracts/search?q=novel%20scaffolds" title=" novel scaffolds"> novel scaffolds</a> </p> <a href="https://publications.waset.org/abstracts/20177/searching-for-novel-scaffolds-of-triazole-non-nucleoside-inhibitors-of-hiv-1-reverse-transcriptase" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/20177.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">541</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">593</span> Synthesis and Structural Characterization of 6-Nitroindazole Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20El%20Moctar%20Abeidi">Mohamed El Moctar Abeidi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The indazole derivatives exhibit a wide spectrum of biological activities. They are known for their anti-tumor, antiplatelet, anti-viral, anti-microbial, anti-inflammatory, anti-leishmania and even anti-spermatogen. As part of our research on the synthesis of a number of heterocycles capable of exhibiting a biological and pharmacological property, due to our ongoing interest in the development of a simple and low-cost procedure for obtaining heterocyclic compounds that may have an interest for medicinal purposes. We present in this work the synthesis of 6-nitro-indazoles derivatives, using two different methods. the first method is the alkylation of Nitroindazole by two different alkylating agents under the conditions of solid/liquid phase transfer catalysis in N, N-dimethylformamide (DMF) in the presence of potassium carbonate (K₂CO₃) as a base, and tetra-n-butylammonium bromide (BTBA) as a catalyst. While the other method is the 1,3-dipolar cycloaddition, in this case, we have undertaken the preparation of bi-heterocyclic containing the 6-nitroindazole associate with group of isoxazoline, isoxazole or 1,2,3-Triazole under normal conditions and, under the catalytic conditions of the click chemistry we were also able to determine the structures without any ambiguity by the ¹H and ¹³C NMR. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=indazole" title="indazole">indazole</a>, <a href="https://publications.waset.org/abstracts/search?q=6-nitroindazole" title=" 6-nitroindazole"> 6-nitroindazole</a>, <a href="https://publications.waset.org/abstracts/search?q=isoxazole" title=" isoxazole"> isoxazole</a>, <a href="https://publications.waset.org/abstracts/search?q=1" title=" 1"> 1</a>, <a href="https://publications.waset.org/abstracts/search?q=2" title="2">2</a>, <a href="https://publications.waset.org/abstracts/search?q=3-Triazole" title="3-Triazole">3-Triazole</a> </p> <a href="https://publications.waset.org/abstracts/98087/synthesis-and-structural-characterization-of-6-nitroindazole-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/98087.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">149</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">592</span> Synthesis and Antiproliferative Activity of 5-Phenyl-N3-(4-fluorophenyl)-4H-1,2,4-triazole-3,4-diamine Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=L.%20Mallesha">L. Mallesha</a>, <a href="https://publications.waset.org/abstracts/search?q=P.%20Mallu"> P. Mallu</a>, <a href="https://publications.waset.org/abstracts/search?q=B.%20Veeresh"> B. Veeresh</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In the present study, 2, 6-diflurobenzohydrazide and 4-fluorophenylisothiocyanate were used as the starting materials to synthesize 5-phenyl-N3-(4-fluorophenyl)-4H-1, 2, 4-triazole-3, 4-diamine. Further, compound 5-phenyl-N3-(4-fluorophenyl)-4H-1, 2, 4-triazole-3,4-diamine reacted with fluoro substituted benzaldehydes to yield a series of Schiff bases. All the final compounds were characterized using IR, 1H NMR, 13C NMR, MS and elemental analyses. New compounds were evaluated for their antiproliferative effect using the MTT assay method against four human cancer cell lines (K562, COLO-205, MDA-MB231, and IMR-32) for the time period of 24 h. Among the series, few compounds showed good activity on all cell lines, whereas the other compounds in the series exhibited moderate activity. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=Schiff%20bases" title="Schiff bases">Schiff bases</a>, <a href="https://publications.waset.org/abstracts/search?q=MTT%20assay" title=" MTT assay"> MTT assay</a>, <a href="https://publications.waset.org/abstracts/search?q=antiproliferative%20activity" title=" antiproliferative activity"> antiproliferative activity</a>, <a href="https://publications.waset.org/abstracts/search?q=human%20cancer%20cell%20lines" title=" human cancer cell lines"> human cancer cell lines</a>, <a href="https://publications.waset.org/abstracts/search?q=1" title=" 1"> 1</a>, <a href="https://publications.waset.org/abstracts/search?q=2" title=" 2"> 2</a>, <a href="https://publications.waset.org/abstracts/search?q=4-triazoles" title=" 4-triazoles"> 4-triazoles</a> </p> <a href="https://publications.waset.org/abstracts/1707/synthesis-and-antiproliferative-activity-of-5-phenyl-n3-4-fluorophenyl-4h-124-triazole-34-diamine-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/1707.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">372</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">591</span> Synthesis and Characterization of Some 1, 2, 3-Triazole Derivatives Containing the Chalcone Moiety and Evaluation for their Antimicrobial and Antioxidant Activity</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Desta%20Gebretekle%20Shiferaw">Desta Gebretekle Shiferaw</a>, <a href="https://publications.waset.org/abstracts/search?q=Balakrishna%20Kalluraya"> Balakrishna Kalluraya</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Triazoles are basic five-membered ring heterocycles with an unsaturated, six-delocalized electron ring system. Since the dawn of click chemistry, triazoles have represented a functional heterocyclic core that has been the foundation of medicinal chemistry. The compounds with 1,2,3-triazole rings can be used in several fields, including medicine, organic synthesis, polymer chemistry, fluorescent imaging, horticulture, and industries, to name a few. Besides that, they found it to have health applications in the prevention and reduction of the risk of diseases, such as anti-cancer, antimicrobial, antiviral, and anti-inflammatory properties. Here, we present the synthesis of twelve 1,2,3-triazolyl chalcone derivatives (4a–l), which were produced in high yields by coupling substituted aldehydes and triazolyl acetophenone (3a–d) in ethanol. The title products were characterized by physicochemical, infrared, nuclear magnetic resonance, and mass spectral methods. The in vitro tests were used to evaluate the antioxidant and antimicrobial activity of each of the prepared molecules. The preliminary assessment and 2,2-diphenyl-1-picrylhydrazyl activity of the title compounds showed significantly higher antibacterial activity and moderate-to-good antifungal and antioxidant activities compared to their standards. This work presents the synthesis of triazolyl chalcone derivatives and their biological activity. Based on the findings, these compounds could be used as lead compounds in antimicrobial and antioxidant research in the future. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=antibacterial%20activity" title="antibacterial activity">antibacterial activity</a>, <a href="https://publications.waset.org/abstracts/search?q=antifungal%20activity" title=" antifungal activity"> antifungal activity</a>, <a href="https://publications.waset.org/abstracts/search?q=antioxidant%20activity" title=" antioxidant activity"> antioxidant activity</a>, <a href="https://publications.waset.org/abstracts/search?q=chalcone" title=" chalcone"> chalcone</a>, <a href="https://publications.waset.org/abstracts/search?q=1" title=" 1"> 1</a>, <a href="https://publications.waset.org/abstracts/search?q=2" title="2">2</a>, <a href="https://publications.waset.org/abstracts/search?q=3-triazole" title="3-triazole">3-triazole</a> </p> <a href="https://publications.waset.org/abstracts/160441/synthesis-and-characterization-of-some-1-2-3-triazole-derivatives-containing-the-chalcone-moiety-and-evaluation-for-their-antimicrobial-and-antioxidant-activity" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/160441.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">126</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">590</span> Antioxidant Activity Studies of Novel Schiff and Mannich Bases</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=D.%20J.%20Madhu%20Kumar">D. J. Madhu Kumar</a>, <a href="https://publications.waset.org/abstracts/search?q=D.%20Jagadeesh%20Prasad"> D. Jagadeesh Prasad</a>, <a href="https://publications.waset.org/abstracts/search?q=Sana%20Sheik"> Sana Sheik</a>, <a href="https://publications.waset.org/abstracts/search?q=E.%20P.%20Rejeesh"> E. P. Rejeesh </a> </p> <p class="card-text"><strong>Abstract:</strong></p> A series of Mannich bases derived from 1,2,4-triazole(3a-k and 4a-k) are synthesized by treating a Schiff base with various substituted primary/secondary amines and formaldehyde. The Schiff base is prepared by treating 3-methyl-4-amino-5-mercapto-1,2,4-triazole with 3,4-dimethoxybenzaldehyde in the presence of acid catalyst. The triazole is prepared by treating acetic acid with thiocarbohydrazide at reflux temperature. All the synthesized samples are characterised by FT-IR, 1H-NMR, and LC-MASS spectral studies and screened for their anti-oxidant activity. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=mannich%20bases" title="mannich bases">mannich bases</a>, <a href="https://publications.waset.org/abstracts/search?q=anti-oxidant%20activity" title=" anti-oxidant activity"> anti-oxidant activity</a>, <a href="https://publications.waset.org/abstracts/search?q=schiff%20base" title=" schiff base"> schiff base</a>, <a href="https://publications.waset.org/abstracts/search?q=triazole" title=" triazole"> triazole</a> </p> <a href="https://publications.waset.org/abstracts/1711/antioxidant-activity-studies-of-novel-schiff-and-mannich-bases" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/1711.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">516</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">589</span> Synthesis and Biological Activities of Novel -1,2,3-Triazoles Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Zahra%20Dehghani">Zahra Dehghani</a>, <a href="https://publications.waset.org/abstracts/search?q=Hoda%20Dehghani"> Hoda Dehghani</a>, <a href="https://publications.waset.org/abstracts/search?q=Elham%20Zarenezhad"> Elham Zarenezhad</a> </p> <p class="card-text"><strong>Abstract:</strong></p> 1,2,3-Triazole derivatives are important compounds in medicinal chemistry owing to their wide applications in drug discovery. They can readily associate with biologically targets through the hydrogen bonding and dipole interactions. The 1,2,3-triazole core is a key structural motif in many bioactive compounds, exhibiting a broad spectrum of biological activities, such as antiviral, anticancer, anti-HIV, antibiotic, antibacterial, and antimicrobial. Additionally, they have found significant industrial applications as dyes, agrochemicals, corrosion inhibitors, photo stabilizers, and photographic materials. we disclose the synthesis and characterization of 1-azido-3-(aryl-2-yloxy)propan-2-ol drivatives. The chemistry works well with various ß-azido alcohols involving aryloxy, alkoxy and alkyl residues, and also tolerates a wide spectrum of electron-donating and electron-withdrawing functional groups in both alkyne and azide molecules. Most of ß-azidoalcohols used in these experiments were pre-synthesized by the regioselective ring opening reaction of corresponded epoxides with sodium azide, whereas the majority of terminal alkynes were prepared via SN2-type reaction of propargyl bromide and corresponded nucleophiles. To evaluate the bioactivity of title compounds, the in vitro antifungal activity of all compound was investigated against several pathogenic fungi including Candida albicans, Candida krusei, Aspergillus niger, and Trichophyton rubrum , clotrimazole and fluconazole was used as standard antifungal drugs, also To understand the antibacterial activity of synthesized compounds, they were in vitro screened against E. coli and S. aureus as Gram-negative and Gram-positive bacteria, respectively. The in vitro tests have shown the promising antifungal but marginal antibacterial activity against tested fungi and bacteria. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=biological%20activities" title="biological activities">biological activities</a>, <a href="https://publications.waset.org/abstracts/search?q=antibacterial" title=" antibacterial"> antibacterial</a>, <a href="https://publications.waset.org/abstracts/search?q=antifungal" title=" antifungal"> antifungal</a>, <a href="https://publications.waset.org/abstracts/search?q=1" title=" 1"> 1</a>, <a href="https://publications.waset.org/abstracts/search?q=2" title="2">2</a>, <a href="https://publications.waset.org/abstracts/search?q=3-Triazole" title="3-Triazole">3-Triazole</a> </p> <a href="https://publications.waset.org/abstracts/38751/synthesis-and-biological-activities-of-novel-123-triazoles-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/38751.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">431</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">588</span> Synthesis of Fluorescent PET-Type “Turn-Off” Triazolyl Coumarin Based Chemosensors for the Sensitive and Selective Sensing of Fe⁺³ Ions in Aqueous Solutions</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Aidan%20Battison">Aidan Battison</a>, <a href="https://publications.waset.org/abstracts/search?q=Neliswa%20Mama"> Neliswa Mama</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Environmental pollution by ionic species has been identified as one of the biggest challenges to the sustainable development of communities. The widespread use of organic and inorganic chemical products and the release of toxic chemical species from industrial waste have resulted in a need for advanced monitoring technologies for environment protection, remediation and restoration. Some of the disadvantages of conventional sensing methods include expensive instrumentation, well-controlled experimental conditions, time-consuming procedures and sometimes complicated sample preparation. On the contrary, the development of fluorescent chemosensors for biological and environmental detection of metal ions has attracted a great deal of attention due to their simplicity, high selectivity, eidetic recognition, rapid response and real-life monitoring. Coumarin derivatives S1 and S2 (Scheme 1) containing 1,2,3-triazole moieties at position -3- have been designed and synthesized from azide and alkyne derivatives by CuAAC “click” reactions for the detection of metal ions. These compounds displayed a strong preference for Fe3+ ions with complexation resulting in fluorescent quenching through photo-induced electron transfer (PET) by the “sphere of action” static quenching model. The tested metal ions included Cd2+, Pb2+, Ag+, Na+, Ca2+, Cr3+, Fe3+, Al3+, Cd2+, Ba2+, Cu2+, Co2+, Hg2+, Zn2+ and Ni2+. The detection limits of S1 and S2 were determined to be 4.1 and 5.1 uM, respectively. Compound S1 displayed the greatest selectivity towards Fe3+ in the presence of competing for metal cations. S1 could also be used for the detection of Fe3+ in a mixture of CH3CN/H¬2¬O. Binding stoichiometry between S1 and Fe3+ was determined by using both Jobs-plot and Benesi-Hildebrand analysis. The binding was shown to occur in a 1:1 ratio between the sensor and a metal cation. Reversibility studies between S1 and Fe3+ were conducted by using EDTA. The binding site of Fe3+ to S1 was determined by using 13 C NMR and Molecular Modelling studies. Complexation was suggested to occur between the lone-pair of electrons from the coumarin-carbonyl and the triazole-carbon double bond. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=chemosensor" title="chemosensor">chemosensor</a>, <a href="https://publications.waset.org/abstracts/search?q=%22click%22%20chemistry" title=" "click" chemistry"> "click" chemistry</a>, <a href="https://publications.waset.org/abstracts/search?q=coumarin" title=" coumarin"> coumarin</a>, <a href="https://publications.waset.org/abstracts/search?q=fluorescence" title=" fluorescence"> fluorescence</a>, <a href="https://publications.waset.org/abstracts/search?q=static%20quenching" title=" static quenching"> static quenching</a>, <a href="https://publications.waset.org/abstracts/search?q=triazole" title=" triazole"> triazole</a> </p> <a href="https://publications.waset.org/abstracts/124685/synthesis-of-fluorescent-pet-type-turn-off-triazolyl-coumarin-based-chemosensors-for-the-sensitive-and-selective-sensing-of-fe3-ions-in-aqueous-solutions" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/124685.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">163</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">587</span> Isotope Effects on Inhibitors Binding to HIV Reverse Transcriptase</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Agnieszka%20Krzemi%C5%84ska">Agnieszka Krzemińska</a>, <a href="https://publications.waset.org/abstracts/search?q=Katarzyna%20%C5%9Awiderek"> Katarzyna Świderek</a>, <a href="https://publications.waset.org/abstracts/search?q=Vicente%20Molinier"> Vicente Molinier</a>, <a href="https://publications.waset.org/abstracts/search?q=Piotr%20Paneth"> Piotr Paneth</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In order to understand in details the interactions between ligands and the enzyme isotope effects were studied between clinically used drugs that bind in the active site of Human Immunodeficiency Virus Reverse Transcriptase, HIV-1 RT, as well as triazole-based inhibitor that binds in the allosteric pocket of this enzyme. The magnitudes and origins of the resulting binding isotope effects were analyzed. Subsequently, binding isotope effect of the same triazole-based inhibitor bound in the active site were analyzed and compared. Together, these results show differences in binding origins in two sites of the enzyme and allow to analyze binding mode and place of newly synthesized inhibitors. Typical protocol is described below on the example of triazole ligand in the allosteric pocket. Triazole was docked into allosteric cavity of HIV-1 RT with Glide using extra-precision mode as implemented in Schroedinger software. The structure of HIV-1 RT was obtained from Protein Data Bank as structure of PDB ID 2RKI. The pKa for titratable amino acids was calculated using PROPKA software, and in order to neutralize the system 15 Cl- were added using tLEaP package implemented in AMBERTools ver.1.5. Also N-terminals and C-terminals were build using tLEaP. The system was placed in 144x160x144Å3 orthorhombic box of water molecules using NAMD program. Missing parameters for triazole were obtained at the AM1 level using Antechamber software implemented in AMBERTools. The energy minimizations were carried out by means of a conjugate gradient algorithm using NAMD. Then system was heated from 0 to 300 K with temperature increment 0.001 K. Subsequently 2 ns Langevin−Verlet (NVT) MM MD simulation with AMBER force field implemented in NAMD was carried out. Periodic Boundary Conditions and cut-offs for the nonbonding interactions, range radius from 14.5 to 16 Å, are used. After 2 ns relaxation 200 ps of QM/MM MD at 300 K were simulated. The triazole was treated quantum mechanically at the AM1 level, protein was described using AMBER and water molecules were described using TIP3P, as implemented in fDynamo library. Molecules 20 Å apart from the triazole were kept frozen, with cut-offs established on range radius from 14.5 to 16 Å. In order to describe interactions between triazole and RT free energy of binding using Free Energy Perturbation method was done. The change in frequencies from ligand in solution to ligand bounded in enzyme was used to calculate binding isotope effects. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=binding%20isotope%20effects" title="binding isotope effects">binding isotope effects</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20dynamics" title=" molecular dynamics"> molecular dynamics</a>, <a href="https://publications.waset.org/abstracts/search?q=HIV" title=" HIV"> HIV</a>, <a href="https://publications.waset.org/abstracts/search?q=reverse%20transcriptase" title=" reverse transcriptase"> reverse transcriptase</a> </p> <a href="https://publications.waset.org/abstracts/20180/isotope-effects-on-inhibitors-binding-to-hiv-reverse-transcriptase" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/20180.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">431</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">586</span> The Complete Modal Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Sebastian%20Andersen">Sebastian Andersen</a>, <a href="https://publications.waset.org/abstracts/search?q=Peter%20N.%20Poulsen"> Peter N. Poulsen</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The use of basis projection in the structural dynamic analysis is frequently applied. The purpose of the method is to improve the computational efficiency, while maintaining a high solution accuracy, by projection the governing equations onto a small set of carefully selected basis vectors. The present work considers basis projection in kinematic nonlinear systems with a focus on two widely used basis vectors; the system mode shapes and their modal derivatives. Particularly the latter basis vectors are given special attention since only approximate modal derivatives have been used until now. In the present work the complete modal derivatives, derived from perturbation methods, are presented and compared to the previously applied approximate modal derivatives. The correctness of the complete modal derivatives is illustrated by use of an example of a harmonically loaded kinematic nonlinear structure modeled by beam elements. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=basis%20projection" title="basis projection">basis projection</a>, <a href="https://publications.waset.org/abstracts/search?q=finite%20element%20method" title=" finite element method"> finite element method</a>, <a href="https://publications.waset.org/abstracts/search?q=kinematic%20nonlinearities" title=" kinematic nonlinearities"> kinematic nonlinearities</a>, <a href="https://publications.waset.org/abstracts/search?q=modal%20derivatives" title=" modal derivatives"> modal derivatives</a> </p> <a href="https://publications.waset.org/abstracts/92260/the-complete-modal-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/92260.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">237</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">585</span> Solvent Dependent Triazole-Appended Glucofuranose-Based Fluorometric Sensor for Detection of Au³⁺ Ions</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Samiul%20Islam%20Hazarika">Samiul Islam Hazarika</a>, <a href="https://publications.waset.org/abstracts/search?q=Domngam%20Boje"> Domngam Boje</a>, <a href="https://publications.waset.org/abstracts/search?q=Ananta%20Kumar%20Atta"> Ananta Kumar Atta</a> </p> <p class="card-text"><strong>Abstract:</strong></p> It is well familiar that solvents play a significant role in modern chemistry. Solvents can change the reactivity and physicochemical properties of molecules in a solution. Keeping this in mind, we have designed and synthesized a mono-triazolyl-linked pyrenyl-appended xylofuranose derivative for the detection of metal ions with changing solvent systems. The incorporation of a sugar backbone in the sensor increases the water solubility and biocompatibility. The experimental study revealed that the xylofuranose-based fluorescence probe did not exhibit any specific selectivity towards metal ions in acetonitrile (CH₃CN) solvent. Whereas, we revealed that triazole-linked pyrenyl-appended xylofuranose-based fluorescent sensor would exhibit high selectivity and sensitivity towards Au³⁺ ions in CH₃CN-H₂O (1/1, v/v) system. This observation might be explained by the viscosity and polarity differences of CH₃CN and CH₃CN-H₂O solvent systems. The formation of the sensor-Au³⁺ complex was also established by high-resolution mass spectrometry (HRMS) data of the complex. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=triazole" title="triazole">triazole</a>, <a href="https://publications.waset.org/abstracts/search?q=furanose" title=" furanose"> furanose</a>, <a href="https://publications.waset.org/abstracts/search?q=fluorometric" title=" fluorometric"> fluorometric</a>, <a href="https://publications.waset.org/abstracts/search?q=solvent%20dependent" title=" solvent dependent"> solvent dependent</a> </p> <a href="https://publications.waset.org/abstracts/133936/solvent-dependent-triazole-appended-glucofuranose-based-fluorometric-sensor-for-detection-of-au3-ions" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/133936.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">115</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">584</span> Synthesis and Pharmaco-Potential Evaluation of Quinoline Hybrids</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Paul%20Awolade">Paul Awolade</a>, <a href="https://publications.waset.org/abstracts/search?q=Parvesh%20Singh"> Parvesh Singh</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The global threat of pathogenic resistance to available therapeutic agents has become a menace to clinical practice, public health and man’s existence inconsequential. This has therefore led to an exigency in the development of new molecular scaffolds with profound activity profiles. In this vein, a versatile synthetic tool for accessing new molecules by incorporating two or more pharmacophores into a single entity with the unique ability to be recognized by multiple receptors hence leading to an improved bioactivity, known as molecular hybridization, has been explored with tremendous success. Accordingly, aware of the similarity in pharmacological activity spectrum of quinoline and 1,2,3-triazole pharmacophores such as; anti-Alzheimer, anticancer, anti-HIV, antimalarial and antimicrobial to mention but a few, the present study sets out to synthesize hybrids of quinoline and 1,2,3-triazole. The hybrids were accessed via click chemistry using copper catalysed azide-alkyne 1,3-dipolar cycloaddition reaction. All synthesized compounds were evaluated for their pharmaco-potential in an antimicrobial assay out of which the 3-OH derivative emerged as the most active with MIC value of 4 μg/mL against Cryptococcus neoformans; a value superior to standard Fluconazole and comparable to Amphotericin B. Structures of synthesized hybrids were elucidated using appropriate spectroscopic techniques (1H, 13C and 2D NMR, FT-IR and HRMS). <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=bioisostere" title="bioisostere">bioisostere</a>, <a href="https://publications.waset.org/abstracts/search?q=click%20chemistry" title=" click chemistry"> click chemistry</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20hybridization" title=" molecular hybridization"> molecular hybridization</a>, <a href="https://publications.waset.org/abstracts/search?q=quinoline" title=" quinoline"> quinoline</a>, <a href="https://publications.waset.org/abstracts/search?q=1" title=" 1"> 1</a>, <a href="https://publications.waset.org/abstracts/search?q=2" title="2">2</a>, <a href="https://publications.waset.org/abstracts/search?q=3-triazole" title="3-triazole">3-triazole</a> </p> <a href="https://publications.waset.org/abstracts/99723/synthesis-and-pharmaco-potential-evaluation-of-quinoline-hybrids" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/99723.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">129</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">583</span> Evolution of Propiconazole and Tebuconazole Residues through the Post-Harvest Application in 'Angeleno' Plum</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=M.%20J.%20Rodr%C3%ADguez">M. J. Rodríguez</a>, <a href="https://publications.waset.org/abstracts/search?q=F.%20M.%20S%C3%A1nchez"> F. M. Sánchez</a>, <a href="https://publications.waset.org/abstracts/search?q=B.%20Velardo"> B. Velardo</a>, <a href="https://publications.waset.org/abstracts/search?q=P.%20Calvo"> P. Calvo</a>, <a href="https://publications.waset.org/abstracts/search?q=M.%20J.%20Serradilla"> M. J. Serradilla</a>, <a href="https://publications.waset.org/abstracts/search?q=J.%20Delgado"> J. Delgado</a>, <a href="https://publications.waset.org/abstracts/search?q=J.%20M.%20L%C3%B3pez"> J. M. López</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The main problems in storage and later transport of fruits, are the decays developed that reduce the quality on destination’s markets. Nowadays, there is an increasing interest in the use of compounds to avoid decays in post-harvest. Triazole fungicides are agrochemicals widely used in the agricultural industry due to their wide spectrum of actions, and in some case, they are used in citrus fruit post-harvest. Moreover, its use is not authorized in plum post-harvest, but in order to a future possible authorization, the evolutions of propiconazole and tebuconazole residues are studied after its post-harvest application in ‘Angeleno’ plum. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=maximum%20residue%20limit%20%28MRL%29" title="maximum residue limit (MRL)">maximum residue limit (MRL)</a>, <a href="https://publications.waset.org/abstracts/search?q=triazole%20fungicides" title=" triazole fungicides"> triazole fungicides</a>, <a href="https://publications.waset.org/abstracts/search?q=decay" title=" decay"> decay</a>, <a href="https://publications.waset.org/abstracts/search?q=Prunus%20salicina" title=" Prunus salicina"> Prunus salicina</a> </p> <a href="https://publications.waset.org/abstracts/46899/evolution-of-propiconazole-and-tebuconazole-residues-through-the-post-harvest-application-in-angeleno-plum" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/46899.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">316</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">582</span> Novel Steviosides Analogs Induced Apoptosis in Breast Cancers</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ahmed%20Malki">Ahmed Malki</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Breast cancer has been identified as the most lethal form of cancer today. In our study, we designed and screened 16 steviosides derivatives for their cytotoxic activities in MCF-7human breast cancer cells and normal MCF-12a cells. Our data indicated that steviosides derivatives 9 and 15 decreased cell proliferation and induced apoptosis in MCF-7 breast cancer cells more thannormal breast cells epithelial cells. Flow cytometric analysis showed that both steviosides, derivatives 9 and 15 arrested the MCF-7 cells in G1 phase, which is further confirmed by the increased expression level of p21. Moreover, both steviosides derivatives increased caspase-9 activity, and the induction of apoptosis was significantly reduced after treating cells with caspase-9 inhibitor LEHD-CHO. Both steviosides derivatives increased Caspase 3 activities and induced Parp-1 cleavage in H1299 cells. Based on previous results, we have identified two novel steviosides derivatives which provoked apoptosis in breast cancer cells by arresting cells in G1 phase and increasing caspase-9 and caspase-3 activities which merits further development and investigations. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=steviosides" title="steviosides">steviosides</a>, <a href="https://publications.waset.org/abstracts/search?q=breast%20cancer" title=" breast cancer"> breast cancer</a>, <a href="https://publications.waset.org/abstracts/search?q=p53" title=" p53"> p53</a>, <a href="https://publications.waset.org/abstracts/search?q=cell%20cycle" title=" cell cycle"> cell cycle</a> </p> <a href="https://publications.waset.org/abstracts/149701/novel-steviosides-analogs-induced-apoptosis-in-breast-cancers" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/149701.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">120</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">581</span> Derivatives Formulas Involving I-Functions of Two Variables and Generalized M-Series</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Gebreegziabher%20Hailu%20Gebrecherkos">Gebreegziabher Hailu Gebrecherkos</a> </p> <p class="card-text"><strong>Abstract:</strong></p> This study explores the derivatives of functions defined by I-functions of two variables and their connections to generalized M-series. We begin by defining I-functions, which are generalized functions that encompass various special functions, and analyze their properties. By employing advanced calculus techniques, we derive new formulas for the first and higher-order derivatives of I-functions with respect to their variables; we establish some derivative formulae of the I-function of two variables involving generalized M-series. The special cases of our derivatives yield interesting results. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=I-function" title="I-function">I-function</a>, <a href="https://publications.waset.org/abstracts/search?q=Mellin-Barners%20control%20integral" title=" Mellin-Barners control integral"> Mellin-Barners control integral</a>, <a href="https://publications.waset.org/abstracts/search?q=generalized%20M-series" title=" generalized M-series"> generalized M-series</a>, <a href="https://publications.waset.org/abstracts/search?q=higher%20order%20derivative" title=" higher order derivative"> higher order derivative</a> </p> <a href="https://publications.waset.org/abstracts/192292/derivatives-formulas-involving-i-functions-of-two-variables-and-generalized-m-series" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/192292.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">15</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">580</span> Normal Coordinate Analysis, Molecular Structure, Vibrational, Electronic Spectra, and NMR Investigation of 4-Amino-3-Phenyl-1H-1,2,4-Triazole-5(4H)-Thione by Ab Initio HF and DFT Method</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Khaled%20Bahgat">Khaled Bahgat</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In the present work, the characterization of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione (APTT) molecule was carried out by quantum chemical method and vibrational spectral techniques. The FT-IR (4000–400 cm_1) and FT-Raman (4000–100 cm_1) spectra of APTT were recorded in solid phase. The UV–Vis absorption spectrum of the APTT was recorded in the range of 200–400 nm. The molecular geometry, harmonic vibrational frequencies and bonding features of APTT in the ground state have been calculated by HF and DFT methods using 6-311++G(d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO) and natural localized molecular orbital (NLMO) analysis. The electronic properties, such as excitation energies, absorption wavelength, HOMO and LUMO energies were performed by time depended DFT (TD-DFT) approach. The 1H and 13C nuclear magnetic resonance chemical shift of the molecule were calculated using the gauge-including atomic orbital (GIAO) method and compared with experimental results. Finally, the calculation results were analyzed to simulate infrared, FT-Raman and UV spectra of the title compound which shows better agreement with observed spectra. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=4-amino-3-phenyl-1H-1" title="4-amino-3-phenyl-1H-1">4-amino-3-phenyl-1H-1</a>, <a href="https://publications.waset.org/abstracts/search?q=2" title="2">2</a>, <a href="https://publications.waset.org/abstracts/search?q=4-triazole-5%284H%29-thione" title="4-triazole-5(4H)-thione">4-triazole-5(4H)-thione</a>, <a href="https://publications.waset.org/abstracts/search?q=vibrational%20assignments" title=" vibrational assignments"> vibrational assignments</a>, <a href="https://publications.waset.org/abstracts/search?q=normal%20coordinate%20analysis" title=" normal coordinate analysis"> normal coordinate analysis</a>, <a href="https://publications.waset.org/abstracts/search?q=quantum%20mechanical%20calculations" title=" quantum mechanical calculations"> quantum mechanical calculations</a> </p> <a href="https://publications.waset.org/abstracts/18175/normal-coordinate-analysis-molecular-structure-vibrational-electronic-spectra-and-nmr-investigation-of-4-amino-3-phenyl-1h-124-triazole-54h-thione-by-ab-initio-hf-and-dft-method" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/18175.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">473</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">579</span> Catalytic Performance of Fe3O4 Nanoparticles (Fe3O4 NPs) in the Synthesis of Pyrazolines </h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Ali%20Gharib">Ali Gharib</a>, <a href="https://publications.waset.org/abstracts/search?q=Leila%20Vojdanifard"> Leila Vojdanifard</a>, <a href="https://publications.waset.org/abstracts/search?q=Nader%20Noroozi%20Pesyan"> Nader Noroozi Pesyan</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Different Pyrazoline derivatives were synthesized by cyclization of substituted chalcone derivatives in presence of hydrazine hydrate. A series of novel 1,3,5-triaryl pyrazoline derivatives has been synthesized by the reaction of chalcone and phenylhydrazine in the presence of the Fe3O4 NPs, in high yields. The structures of compounds obtained were determined by IR and 1H NMR spectra. Fe3O4 NPs was recycled and no appreciable change in activity was noticed after three cycles. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=pyrazoline" title="pyrazoline">pyrazoline</a>, <a href="https://publications.waset.org/abstracts/search?q=chalcone" title=" chalcone"> chalcone</a>, <a href="https://publications.waset.org/abstracts/search?q=nanoparticles" title=" nanoparticles"> nanoparticles</a>, <a href="https://publications.waset.org/abstracts/search?q=Fe3O4" title=" Fe3O4"> Fe3O4</a>, <a href="https://publications.waset.org/abstracts/search?q=catalyst" title=" catalyst"> catalyst</a>, <a href="https://publications.waset.org/abstracts/search?q=synthesis" title=" synthesis"> synthesis</a> </p> <a href="https://publications.waset.org/abstracts/22630/catalytic-performance-of-fe3o4-nanoparticles-fe3o4-nps-in-the-synthesis-of-pyrazolines" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/22630.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">399</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">578</span> Studies On Triazole Resistant Candida Albicans Expressing ERG11 Gene Among Adult Females In Abakaliki; Nigeria</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Agumah%20N.%20B.%20Orji">Agumah N. B. Orji</a>, <a href="https://publications.waset.org/abstracts/search?q=M.%20U."> M. U.</a>, <a href="https://publications.waset.org/abstracts/search?q=Oru%20C.%20M."> Oru C. M.</a>, <a href="https://publications.waset.org/abstracts/search?q=Ugbo"> Ugbo</a>, <a href="https://publications.waset.org/abstracts/search?q=E.%20N."> E. N.</a>, <a href="https://publications.waset.org/abstracts/search?q=Onwuliri%20E.%20A%20Nwakaeze"> Onwuliri E. A Nwakaeze</a>, <a href="https://publications.waset.org/abstracts/search?q=E.%20A."> E. A.</a>, <a href="https://publications.waset.org/abstracts/search?q="></a> </p> <p class="card-text"><strong>Abstract:</strong></p> ERG11 gene has been reported to be one of the genes whose expression is responsible for resistance of Candida to various triazole drugs, which are first line treatment for candidiasis. This study was carried out to determine the prevalence of Triazole (Fluconazole and voriconazole) resistant Candida albicans expressing ERG11 gene from adult females in Abakaliki. Urine and vaginal swab samples were randomly collected from volunteers after obtaining their consent to participate in the study. A total of 565 adult females participated in the study. A total of 340 urine specimens and 288 vaginal swab specimens were collected. Direct wet mount technique, as well as culture in Trichomonas broth, were used to examine the urine and vaginal swab specimens for the presence of motile Trichomonads. The Trichomonas broth used was selective for both T. vaginalis and C. albicans. Broths that yielded budding yeast cells after microscopy were subcultured on to Sabouraud dextrose agar, after which Germ tube test was carried out to confirm the presence of C. albicans. Biochemical tests, including carbohydrate fermentation and urease utilization, were also performed. Antibiogram of C. albicans isolates obtained from this study was carried out using commercially available azole drugs. Fluconazole and voriconazole were selected as Triazole drugs used for this study. Nystatin was used as a tangential control. An MIC test was carried out with E-strips on some of the resistant C. albicans isolates A total of 6 isolates that resisted all the azole drugs were selected and screened for the presence of ERG11 gene using Reverse transcriptase polymerase chain reaction technique. The total prevalence recorded for C. albicans was 13.0%. Frequency was statistically higher in Pregnant (7.96%) than non pregnant (5.09%) volunteers (X2=0.94 at P=0.05). With respect to clinical samples, frequency was higher in vaginal swabs samples (7.96%) than Urine samples (5.09%) (X2=9.05 at P=0.05). Volunteers within the age group 26-30 years recorded the highest prevalence (4.46%), while those within the age group 36-40 years recorded the lowest at 1.27%(X2=4.34 at P=0.05). In pregnant female participants, the highest frequency was recorded with those in their 3rd trimester (4.14%), while lowest incidence was recorded for those in their first trimester (0.80%). Antibiogram results from this study showed that C. albicans isolates obtained from this study resisted Fluconazole (72%) more than Voriconazole (57%). Only one out of the six selected isolates yielded resistance in the MIC test. Results obtained from the RT-PCR showed that there was no expression of ERG11 gene among the fluconazole resistant isolates of C. albicans. Observed resistance may be due to other factors other than expression of ERG11 gene. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=candida" title="candida">candida</a>, <a href="https://publications.waset.org/abstracts/search?q=ERG11" title=" ERG11"> ERG11</a>, <a href="https://publications.waset.org/abstracts/search?q=triazole" title=" triazole"> triazole</a>, <a href="https://publications.waset.org/abstracts/search?q=nigeria" title=" nigeria"> nigeria</a> </p> <a href="https://publications.waset.org/abstracts/144325/studies-on-triazole-resistant-candida-albicans-expressing-erg11-gene-among-adult-females-in-abakaliki-nigeria" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/144325.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">149</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">577</span> Removal of Iron (II) from Wastewater in Oil Field Using 3-(P-Methyl) Phenyl-5-Thionyl-1,2,4-Triazoline Assembled on Silver Nanoparticles</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=E.%20M.%20S.%20Azzam">E. M. S. Azzam</a>, <a href="https://publications.waset.org/abstracts/search?q=S.%20A.%20Ahmed"> S. A. Ahmed</a>, <a href="https://publications.waset.org/abstracts/search?q=H.%20H.%20Mohamed"> H. H. Mohamed</a>, <a href="https://publications.waset.org/abstracts/search?q=M.%20A.%20Adly"> M. A. Adly</a>, <a href="https://publications.waset.org/abstracts/search?q=E.%20A.%20M.%20Gad"> E. A. M. Gad</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In this work we prepared 3-(p-methyl) phenyl-5-thionyl-1,2,4-triazoline (C1). The nanostructure of the prepared C1 compound was fabricated by assembling on silver nanoparticles. The UV and TEM analyses confirm the assembling of C1 compound on silver nanoparticles. The effect of C1 compound on the removal of Iron (II) from Iron contaminated samples and industrial wastewater samples (produced water from oil processing facility) were studied before and after their assembling on silver nanoparticles. The removal of Iron was studied at different concentrations of FeSO4 solution (5, 14 and 39 mg/l) and field sample concentration (661 mg/l). In addition, the removal of Iron (II) was investigated at different times. The Prepared compound and its nanostructure with AgNPs show highly efficient in removing the Iron ions. Quantum chemical descriptors using DFT was discussed. The output of the study pronounces that the C1 molecule can act as chelating agent for Iron (II). <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=triazole%20derivatives" title="triazole derivatives">triazole derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=silver%20nanoparticles" title=" silver nanoparticles"> silver nanoparticles</a>, <a href="https://publications.waset.org/abstracts/search?q=iron%20%28II%29" title=" iron (II)"> iron (II)</a>, <a href="https://publications.waset.org/abstracts/search?q=oil%20field" title=" oil field"> oil field</a> </p> <a href="https://publications.waset.org/abstracts/93747/removal-of-iron-ii-from-wastewater-in-oil-field-using-3-p-methyl-phenyl-5-thionyl-124-triazoline-assembled-on-silver-nanoparticles" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/93747.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">657</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">576</span> QSAR and Anti-Depressant Studies of Some Novel Phenothiazine Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=D.%20L.%20Tambe">D. L. Tambe</a>, <a href="https://publications.waset.org/abstracts/search?q=S.%20Dighe%20Nachiket"> S. Dighe Nachiket</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Objective: Depression is a common but serious illness and the phenothiazine derivatives shows prominent effect against the depression hence work was undertaken to validate this use scientifically. Material and Methods: Synthesis of phenothiazine derivatives are done by the substitution of various groups, but the basic scheme of synthesis is started with synthesis of 4-(Cyclohexylidene) Benzoic acid using PABA. After that with the further six step of synthesis of 3-(10H-phenothiazin-2-yl)-N, 5-diphenyl-4H-1, 2, 4-triazol-4-amine is done which is final product. Antidepressant activity of all the synthesized compounds was evaluated by despair swim test by using Sprague Dawley Rats. Standard drug imipramine was used as the control. In the despair swim test, all the synthesized derivatives showed antidepressant activity. Results: Among the all phenothiazine derivatives four compounds (6.6-7.2 (14H –phenyl ), 9.43 (1H OH), 8.50 (1H NH phenothiazine),6.85-8.21(14H phenyl), 8.50 (1H NH phenothiazine), 11.82 (1H – OH), 6.6-7.2 (8H –phenyl ), 9.43 (1H OH), 8.50 (1H NH phenothiazine), 4.2 (1H NH) and 6.85-8.21(8H phenyl), 8.50 (1H NH phenothiazine), 3.9 (1H NH) 11.82 (1H – OH) showed significant antidepressant activity comparing with control drug imipramine. Conclusion: Various Novel phenothiazine derivatives show more potent antidepressant activity and it plays more beneficial role in human health for the treatment of depression. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=antidepressant%20activities" title="antidepressant activities">antidepressant activities</a>, <a href="https://publications.waset.org/abstracts/search?q=despair%20swim%20test" title=" despair swim test"> despair swim test</a>, <a href="https://publications.waset.org/abstracts/search?q=phenothiazine" title=" phenothiazine"> phenothiazine</a>, <a href="https://publications.waset.org/abstracts/search?q=Sprague%20Dawley%20Rats" title=" Sprague Dawley Rats"> Sprague Dawley Rats</a> </p> <a href="https://publications.waset.org/abstracts/26552/qsar-and-anti-depressant-studies-of-some-novel-phenothiazine-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/26552.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">382</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">575</span> Synthesis, Spectral, Thermal, Optical and Dielectric Studies of Some Organic Arylidene Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=S.%20Sathiyamoorthi">S. Sathiyamoorthi</a>, <a href="https://publications.waset.org/abstracts/search?q=P.%20Srinivasan"> P. Srinivasan</a>, <a href="https://publications.waset.org/abstracts/search?q=K.%20Suganya%20Devi"> K. Suganya Devi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Arylidene derivatives are the subclass of chalcone derivatives. Chalcone derivatives are studied widely for the past decade because of its nonlinearity. To seek new organic group of crystals which suit for fabrication of optical devices, three-member organic arylidene crystals were synthesized by using Claisen–Schmidt condensation reaction. Good quality crystals were grown by slow evaporation method. Functional groups were identified by FT-IR and FT-Raman spectrum. Optical transparency and optical band gap were determined by UV-Vis-IR studies. Thermal stability and melting point were calculated using TGA and DSC. Variation of dielectric loss and dielectric constant with frequency were calculated by dielectric measurement. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=DSC%20and%20TGA%20studies" title="DSC and TGA studies">DSC and TGA studies</a>, <a href="https://publications.waset.org/abstracts/search?q=nonlinear%20optic%20studies" title=" nonlinear optic studies"> nonlinear optic studies</a>, <a href="https://publications.waset.org/abstracts/search?q=Fourier%20Transform%20Infrared%20Spectroscopy" title=" Fourier Transform Infrared Spectroscopy"> Fourier Transform Infrared Spectroscopy</a>, <a href="https://publications.waset.org/abstracts/search?q=UV-vis-NIR%20spectra" title=" UV-vis-NIR spectra"> UV-vis-NIR spectra</a> </p> <a href="https://publications.waset.org/abstracts/67546/synthesis-spectral-thermal-optical-and-dielectric-studies-of-some-organic-arylidene-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/67546.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">321</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">574</span> Design, Synthesis and in-vitro Antitumor Evaluation of Some Novel Substituted Quinazoline Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Adel%20S.%20El-Azab">Adel S. El-Azab</a>, <a href="https://publications.waset.org/abstracts/search?q=Alaa%20A.%20M.%20Abdel-Aziz"> Alaa A. M. Abdel-Aziz</a>, <a href="https://publications.waset.org/abstracts/search?q=Ibrahim%20A.%20Al-Suwaidan"> Ibrahim A. Al-Suwaidan</a>, <a href="https://publications.waset.org/abstracts/search?q=Amer%20M.%20Alanazi"> Amer M. Alanazi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> A novel series of 2,3,6-trisubstitute quinazolinone were designed, synthesized, and evaluated for their in-vitro antitumor activity. 3 (Benzylideneamino)-6-chloro-2-p-tolylquinazolin-4(3H)-One, 2-[(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-yl)thio]-N-(3,4;5-trimethoxyphenyl) acetamide and 3-(3-benzyl-6-methyl-4-oxo-3, 4-dihydroquinazolin-2-ylthio)-N-(3,4,5-trimethoxyphenyl) propanamide have shown amazing broad spectrum antitumor activity with mean GI50; 15.8, 3.16, and 7.4 μM respectively compared to known Quinazoline Derivatives antitumor drug 5-FU mean GI50=22.6 μM. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=quinazoline%20derivatives" title="quinazoline derivatives">quinazoline derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=in%20vitro%20antitumor" title=" in vitro antitumor"> in vitro antitumor</a>, <a href="https://publications.waset.org/abstracts/search?q=synthesis" title=" synthesis"> synthesis</a>, <a href="https://publications.waset.org/abstracts/search?q=5-FU" title=" 5-FU"> 5-FU</a>, <a href="https://publications.waset.org/abstracts/search?q=NCI" title=" NCI"> NCI</a> </p> <a href="https://publications.waset.org/abstracts/22501/design-synthesis-and-in-vitro-antitumor-evaluation-of-some-novel-substituted-quinazoline-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/22501.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">544</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">573</span> A Study on the Synthesis and Antioxidant Activity of Hybrid Pyrazoline Integrated with Pyrazole and Thiazole Nuclei</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Desta%20Gebretekle%20Shiferaw">Desta Gebretekle Shiferaw</a>, <a href="https://publications.waset.org/abstracts/search?q=Balakrishna%20Kalluraya"> Balakrishna Kalluraya</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Pyrazole is an aromatic five-membered heterocycle with two nitrogen and three carbon atoms in its ring structure. According to the literature, pyrazoline, pyrazole, and thiazole-containing moieties are found in various drug structures and are responsible for nearly all pharmacological effects. The pyrazoline linked to pyrazole moiety carbothioamides was synthesized via the reaction of pyrazole-bearing chalcones (3-(5-chloro-3-methyl-¹-phenyl-1H-pyrazol-4-yl)-¹-(substituted aryl) prop-2-ene-¹-one derivatives) with a nucleophile thiosemicarbohyrazide by heating in ethanol using fused sodium acetate as a catalyst. Then the carbothioamide derivatives were converted into the pyrazoline hybrid to pyrazole and thiazole derivatives by condensing with substituted phenacyl bromide in alcohol in a basic medium. Next, the chemical structure of the newly synthesized molecules was confirmed by IR, 1H-NMR, and mass spectral data. Further, they were screened for their in vitro antioxidant activity. Compared to butylated hydroxy anisole (BHA)., the antioxidant data showed that the synthesized compounds had good to moderate activity. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=pyrazoline-pyrazole%20carbothioamide%20derivatives" title="pyrazoline-pyrazole carbothioamide derivatives">pyrazoline-pyrazole carbothioamide derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=pyrazoline-pyrazole-thiazole%20derivatives" title=" pyrazoline-pyrazole-thiazole derivatives"> pyrazoline-pyrazole-thiazole derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=spectral%20studies" title=" spectral studies"> spectral studies</a>, <a href="https://publications.waset.org/abstracts/search?q=antioxidant%20activity" title=" antioxidant activity"> antioxidant activity</a> </p> <a href="https://publications.waset.org/abstracts/160234/a-study-on-the-synthesis-and-antioxidant-activity-of-hybrid-pyrazoline-integrated-with-pyrazole-and-thiazole-nuclei" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/160234.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">72</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">572</span> Some Changes in Biochemical Parameters of Body and Hepato-Biliary System under the Influence of Hydrazine Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=G.%20Y.%20Saspugayeva">G. Y. Saspugayeva</a>, <a href="https://publications.waset.org/abstracts/search?q=R.%20R.%20Beysenova"> R. R. Beysenova</a>, <a href="https://publications.waset.org/abstracts/search?q=M.%20R.%20Khanturin"> M. R. Khanturin</a>, <a href="https://publications.waset.org/abstracts/search?q=E.%20T.%20Abseitov"> E. T. Abseitov</a>, <a href="https://publications.waset.org/abstracts/search?q=K.%20B.%20Massenov"> K. B. Massenov </a> </p> <p class="card-text"><strong>Abstract:</strong></p> This research is devoted to the problems of rocket fuel and impact of its derivatives on environment and living things. Hydrazine derivatives are used in different spheres, in aero-space activity, medical practice, laboratory-diagnosis practice and etc. For Kazakhstan, which has the cosmodrome "Baikonur", the problem of environmental pollution by rocket fuel and its components is important issue. An unsymmetrical dimethylhydrazine is mostly used as rocket fuel for launch vehicles which has high toxicity to humans and animals referred to the World Health Organization. The question about influence of hydrazine derivatives on human organism and ways of detoxication is very actual and requires special approaches in solving these problems. In connection with this situation, we set the goal: study the negative influence of hydrazine derivatives-hydrazine sulphur, nitrosodimethylamine (NDMA), phenylhydrazine, isonicotinic acid hydrazide (IAH) on some biochemical parameters of blood, hepatobiliary system and correction of functional damages of organism with “Salsocollin” drugs. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=isonicotinic%20acid%20hydrazide%20%28IAH%29" title="isonicotinic acid hydrazide (IAH)">isonicotinic acid hydrazide (IAH)</a>, <a href="https://publications.waset.org/abstracts/search?q=N-nitrosodimethylamine%20%28NDMA%29" title=" N-nitrosodimethylamine (NDMA)"> N-nitrosodimethylamine (NDMA)</a>, <a href="https://publications.waset.org/abstracts/search?q=AlAT-alanine%20aminotransferase" title=" AlAT-alanine aminotransferase"> AlAT-alanine aminotransferase</a>, <a href="https://publications.waset.org/abstracts/search?q=AsAT-aspartate%20aminotransaminase" title=" AsAT-aspartate aminotransaminase "> AsAT-aspartate aminotransaminase </a> </p> <a href="https://publications.waset.org/abstracts/16379/some-changes-in-biochemical-parameters-of-body-and-hepato-biliary-system-under-the-influence-of-hydrazine-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/16379.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">355</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">571</span> Microbiological Activity and Molecular Docking Study of Selected Steroid Derivatives of Biomedical Importance</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Milica%20Karadzic">Milica Karadzic</a>, <a href="https://publications.waset.org/abstracts/search?q=Lidija%20Jevric"> Lidija Jevric</a>, <a href="https://publications.waset.org/abstracts/search?q=Sanja%20Podunavac-Kuzmanovic"> Sanja Podunavac-Kuzmanovic</a>, <a href="https://publications.waset.org/abstracts/search?q=Strahinja%20Kovacevic"> Strahinja Kovacevic</a>, <a href="https://publications.waset.org/abstracts/search?q=Sinisa%20Markov"> Sinisa Markov</a>, <a href="https://publications.waset.org/abstracts/search?q=Aleksandar%20Okljesa"> Aleksandar Okljesa</a>, <a href="https://publications.waset.org/abstracts/search?q=Andrea%20Nikolic"> Andrea Nikolic</a>, <a href="https://publications.waset.org/abstracts/search?q=Marija%20Sakac"> Marija Sakac</a>, <a href="https://publications.waset.org/abstracts/search?q=Katarina%20Penov%20Gasi"> Katarina Penov Gasi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> This study considered the microbiological activity determination and molecular docking study for selected steroid derivatives of biomedical importance. Minimal inhibitory concentration (MIC) was determined for steroid derivatives against Staphylococcus aureus using macrodilution method. Some of the investigated steroid derivatives express bacteriostatic effect against Staphylococcus aureus. Molecular docking approaches are the most widely used techniques for predicting the binding mode of a ligand. Molecular docking study was done for steroid derivatives for androgen receptor negative prostate cancer cell line (PC-3) toward Human Cytochrome P450 CYP17A1. The molecules that had the smallest experimental IC50 values confirmed their ability to dock into active place using suitable molecular docking procedure. The binding disposition of those molecules was thoroughly investigated. Microbiological analysis and molecular docking study were conducted with aim to additionally characterize selected steroid derivatives for future investigation regarding their biological activity and to estimate the binding-affinities of investigated derivatives. This article is based upon work from COST Action (TD1305), supported by COST (European Cooperation and Science and Technology). <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=binding%20affinity" title="binding affinity">binding affinity</a>, <a href="https://publications.waset.org/abstracts/search?q=minimal%20inhibitory%20concentration" title=" minimal inhibitory concentration"> minimal inhibitory concentration</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20docking" title=" molecular docking"> molecular docking</a>, <a href="https://publications.waset.org/abstracts/search?q=pc-3%20cell%20line" title=" pc-3 cell line"> pc-3 cell line</a>, <a href="https://publications.waset.org/abstracts/search?q=staphylococcus%20aureus" title=" staphylococcus aureus"> staphylococcus aureus</a>, <a href="https://publications.waset.org/abstracts/search?q=steroids" title=" steroids"> steroids</a> </p> <a href="https://publications.waset.org/abstracts/60204/microbiological-activity-and-molecular-docking-study-of-selected-steroid-derivatives-of-biomedical-importance" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/60204.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">363</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">570</span> An Empirical Analysis of the Effects of Corporate Derivatives Use on the Underlying Stock Price Exposure: South African Evidence</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Edson%20Vengesai">Edson Vengesai</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Derivative products have become essential instruments in portfolio diversification, price discovery, and, most importantly, risk hedging. Derivatives are complex instruments; their valuation, volatility implications, and real impact on the underlying assets' behaviour are not well understood. Little is documented empirically, with conflicting conclusions on how these instruments affect firm risk exposures. Given the growing interest in using derivatives in risk management and portfolio engineering, this study examines the practical impact of derivative usage on the underlying stock price exposure and systematic risk. The paper uses data from South African listed firms. The study employs GARCH models to understand the effect of derivative uses on conditional stock volatility. The GMM models are used to estimate the effect of derivatives use on stocks' systematic risk as measured by Beta and on the total risk of stocks as measured by the standard deviation of returns. The results provide evidence on whether derivatives use is instrumental in reducing stock returns' systematic and total risk. The results are subjected to numerous controls for robustness, including financial leverage, firm size, growth opportunities, and macroeconomic effects. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=derivatives%20use" title="derivatives use">derivatives use</a>, <a href="https://publications.waset.org/abstracts/search?q=hedging" title=" hedging"> hedging</a>, <a href="https://publications.waset.org/abstracts/search?q=volatility" title=" volatility"> volatility</a>, <a href="https://publications.waset.org/abstracts/search?q=stock%20price%20exposure" title=" stock price exposure"> stock price exposure</a> </p> <a href="https://publications.waset.org/abstracts/156599/an-empirical-analysis-of-the-effects-of-corporate-derivatives-use-on-the-underlying-stock-price-exposure-south-african-evidence" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/156599.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">108</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">569</span> Overview of Risk Management in Electricity Markets Using Financial Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Aparna%20Viswanath">Aparna Viswanath</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Electricity spot prices are highly volatile under optimal generation capacity scenarios due to factors such as non-storability of electricity, peak demand at certain periods, generator outages, fuel uncertainty for renewable energy generators, huge investments and time needed for generation capacity expansion etc. As a result market participants are exposed to price and volume risk, which has led to the development of risk management practices. This paper provides an overview of risk management practices by market participants in electricity markets using financial derivatives. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=financial%20derivatives" title="financial derivatives">financial derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=forward" title=" forward"> forward</a>, <a href="https://publications.waset.org/abstracts/search?q=futures" title=" futures"> futures</a>, <a href="https://publications.waset.org/abstracts/search?q=options" title=" options"> options</a>, <a href="https://publications.waset.org/abstracts/search?q=risk%20management" title=" risk management"> risk management</a> </p> <a href="https://publications.waset.org/abstracts/19404/overview-of-risk-management-in-electricity-markets-using-financial-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/19404.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">478</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">568</span> Synthesis and in-Vitro Biological Activity of Novel Gallic Acid Derivatives </h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Hossein%20Mostafavi">Hossein Mostafavi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> A diversity of biological activities and pharmaceutical uses have been attributed to gallic acid derivatives such as antibacterial, anticancer, anti inflammatory. A series of gallic acid derivatives were synthesized, and their structure was confirmed by FT-IR, HNMR, CNMR, elemental analysis. In vitro biological activity of compounds was determined against Proteus vulgaris ATCC 7829, Escherichia coli ATCC 25922, as (Gram-negative) bacteria and bacillus cereus ATCC 11778, Staphylococus aureus ATCC 6538 as (Gram-positive) bacteria. Antibacterial susceptibility tests were done by use of the paper disc diffusion method on Mueller Hinton agar (Merck). Chloramiphenicol, Penicilline, Streptomycin and Tetracycline were standard reference antibiotics. The zone of inhibition against bacteria was measured after 24 hours at 37 °C. Compounds 3, 4, 5 were the main antibacterial compounds against Gram-negative bacteria but not Gram-positive. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=gallic%20acid%20derivatives" title="gallic acid derivatives">gallic acid derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=antibacterial" title=" antibacterial"> antibacterial</a>, <a href="https://publications.waset.org/abstracts/search?q=antibiotics" title=" antibiotics"> antibiotics</a>, <a href="https://publications.waset.org/abstracts/search?q=inhibition" title=" inhibition"> inhibition</a> </p> <a href="https://publications.waset.org/abstracts/121718/synthesis-and-in-vitro-biological-activity-of-novel-gallic-acid-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/121718.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">136</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">567</span> Risk Management of Water Derivatives: A New Commodity in The Market</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Daniel%20Mokatsanyane">Daniel Mokatsanyane</a>, <a href="https://publications.waset.org/abstracts/search?q=Johnny%20Jansen%20Van%20Rensburg"> Johnny Jansen Van Rensburg</a> </p> <p class="card-text"><strong>Abstract:</strong></p> This paper is a concise introduction of the risk management on the water derivatives market. Water, a new commodity in the market, is one of the most important commodity on earth. As important to life and planet as crops, metals, and energy, none of them matters without water. This paper presents a brief overview of water as a tradable commodity via a new first of its kind futures contract on the Nasdaq Veles California Water Index (NQH2O) derivative instrument, TheGeneralised Autoregressive Conditional Heteroscedasticity (GARCH) statistical model will be the used to measure the water price volatility of the instrument and its performance since it’s been traded. describe the main products and illustrate their usage in risk management and also discuss key challenges with modeling and valuation of water as a traded commodity and finally discuss how water derivatives may be taken as an alternative asset investment class. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=water%20derivatives" title="water derivatives">water derivatives</a>, <a href="https://publications.waset.org/abstracts/search?q=commodity%20market" title=" commodity market"> commodity market</a>, <a href="https://publications.waset.org/abstracts/search?q=nasdaq%20veles%20california%20water%20Index%20%28NQH2O" title=" nasdaq veles california water Index (NQH2O"> nasdaq veles california water Index (NQH2O</a>, <a href="https://publications.waset.org/abstracts/search?q=water%20price" title=" water price"> water price</a>, <a href="https://publications.waset.org/abstracts/search?q=risk%20management" title=" risk management"> risk management</a> </p> <a href="https://publications.waset.org/abstracts/153057/risk-management-of-water-derivatives-a-new-commodity-in-the-market" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/153057.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">136</span> </span> </div> </div> <ul class="pagination"> <li class="page-item disabled"><span class="page-link">&lsaquo;</span></li> <li class="page-item 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