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Proceedings, 2019, ECSOC-23 2019

The 23rd International Electronic Conference on Synthetic Organic Chemistry

Online | 15 November–15 December 2019

Volume Editor: Julio A. Seijas, Universidad de Santiago de Compostela, Spain

Number of Papers: 85
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Cover Story (view full-size image): The Electronic Conferences on Synthetic Organic Chemistry (ECSOC) are a series of conferences that have been held online since 1997. It maintains free participation and registration in the true [...] Read more.
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14 pages, 1129 KiB  
Proceeding Paper
Synthesis and Characterization of New Biocompatible Amino Amphiphilic Compounds Derived from Oleic Acid as Nanovectors for Drug Delivery
by Victoria Valdivia, Chiara Paggiaro and Inmaculada Fernández
Proceedings 2019, 41(1), 1; https://doi.org/10.3390/ecsoc-23-06458 - 14 Nov 2019
Cited by 1 | Viewed by 1168
Abstract
Amphiphilic molecules have been actively explored as promising materials in the field of bio and nanotechnology. These molecules are constituted by a polar head and a lipophilic tail and in an aqueous medium are self-assemble to form different types of macromolecular structures such [...] Read more.
Amphiphilic molecules have been actively explored as promising materials in the field of bio and nanotechnology. These molecules are constituted by a polar head and a lipophilic tail and in an aqueous medium are self-assemble to form different types of macromolecular structures such as micelles, monolayer vesicles, bars, sheets and tubes. In this work, a convergent synthetic approach for the synthesis of two new amphiphilic compounds based on a versatile amino polar head, a tetraethylene glycol spacer and a lipophilic tail derived from oleic acid has been developed. Subsequently, after a self-assembly process in aqueous medium, nanostructures as micelles have been obtained and characterized. Finally, a procedure for the inclusion of the highly lipophilic drug Dexamethasone has been carried out in order to study the ability of these micelles to act as nanovectors for drug delivery. Full article
4 pages, 284 KiB  
Proceeding Paper
ZnBr2 Functionalized Ionic Liquid: An Efficient Solvent and Catalyst for the Facile Synthesis of 1-Benzamino-1,4-Dihydropyridine
by Hamid Reza Esmaili Zand, Maede Kazemnezhad Leili and Hossein Ghafuri
Proceedings 2019, 41(1), 2; https://doi.org/10.3390/ecsoc-23-06459 - 14 Nov 2019
Viewed by 960
Abstract
Ionic liquids (ILs) are mostly composed of organic cations and organic/inorganic anions. One of the most important class of ILs are imidazolium ILs. The hydrophilicity and hydrophobicity of ILs are regularly influenced by length of alkyl side chain of cation. According to this [...] Read more.
Ionic liquids (ILs) are mostly composed of organic cations and organic/inorganic anions. One of the most important class of ILs are imidazolium ILs. The hydrophilicity and hydrophobicity of ILs are regularly influenced by length of alkyl side chain of cation. According to this effect, better hydrophilicity comes from a shorter alkyl side chain and on the contrary, better hydrophobicity comes from a lengthier alkyl side chain of cation. Typical ILs have exceptional properties. Most ILs are stable at about 300 °C in the liquid state at normal conditions. Due to the exceptional properties of ILs, they have been used in diverse industries including batteries and fuels. As solvents, ILs have been employed in many chemical fields. Solubilities of ILs with organic/inorganic species are completely satisfactory. Here, by N-methyl imidazole (Im), 1,3-dibromopropane, triethanolamine (TEA), and ZnBr2, new ionic liquid (TEA-Im-Zn) was synthesized and used as catalyst and solvent in the synthesis of functionalized 1-benzamino-1,4-dihydropyridine using aromatic aldehydes, malononitrile, triethylamine, arylamine and dialkyl acetylenedicarboxylate. Full article
5 pages, 758 KiB  
Proceeding Paper
Morphological and Chemical Analysis of the Molecularly-Imprinted Polymer-Based D-Arabinose Sensor on a Modified Electrode with Functionalized Carbon Nanotubes
by Miguel S. P. Sousa, Cristián A. Ferretti, María N. Kneeteman and Leonardo L. Paim
Proceedings 2019, 41(1), 3; https://doi.org/10.3390/ecsoc-23-06456 - 14 Nov 2019
Cited by 1 | Viewed by 1126
Abstract
The sensors modified carbon nanotubes and molecularly imprinted polymers are an excellent choice for the determination of D-arabinose, because they have high selectivity and sensitivity for analysis. This allows the control and optimization of the second generation ethanol production process, given the clear [...] Read more.
The sensors modified carbon nanotubes and molecularly imprinted polymers are an excellent choice for the determination of D-arabinose, because they have high selectivity and sensitivity for analysis. This allows the control and optimization of the second generation ethanol production process, given the clear understanding of the chemical changes that occur through the hydrolysis of lignocellulosic biomass. For this reason, the present work presents a chemical study of the functional groups of the chemical species present on the sensor surface by the Fourier transform infrared spectroscopy (FT-IR) technique and a morphological analysis by the scanning electron microscopy (SEM) technique. Full article
12 pages, 307 KiB  
Proceeding Paper
Use of Triphenylphosphine-Bromotrichloromethane (PPh3-BrCCl3) in the Preparation of Acylhydrazines, N-Methylamides, Anilides and N-Arylmaleimides From Carboxylic Acids
by Abdullah Al-Hemyari, Areej Hashim, Muna Bufaroosha and Thies Thiemann
Proceedings 2019, 41(1), 4; https://doi.org/10.3390/ecsoc-23-06460 - 14 Nov 2019
Viewed by 1302
Abstract
In certain countries, many of the reagents used to transform carboxylic acids to acyl halides such as phosphorus trichloride, phosphorus tribromide, phosphorus pentachloride, phosphoryl chloride, thionyl chloride and sulfuryl chloride are difficult to come by. Against this background, the authors developed the reaction [...] Read more.
In certain countries, many of the reagents used to transform carboxylic acids to acyl halides such as phosphorus trichloride, phosphorus tribromide, phosphorus pentachloride, phosphoryl chloride, thionyl chloride and sulfuryl chloride are difficult to come by. Against this background, the authors developed the reaction system triphenylphosphine (PPh3)–bromotrichloromethane (BrCCl3) to prepare acyl halides in situ. In the following, the use of this reagent combination is joined with the reaction of the in situ prepared acyl halides with nitrogen nucleophiles, specifically with hydrazines, methylamine and anilines. The reaction is also used in an intramolecular variant by the reaction of maleanilic acids to N-arylmaleimides. Full article
5 pages, 367 KiB  
Proceeding Paper
Synthesis of Novel Schiff Base Derivates Containing a Fragment of the HIV Integrase Inhibitor Drug Raltegravir
by Jairo J. Rojas-Ortiz, Claudia Contreras-Celedón, Mario A. Gómez-Hurtado, Luis Chacón-García and Carlos J. Cortes-García
Proceedings 2019, 41(1), 5; https://doi.org/10.3390/ecsoc-23-06462 - 14 Nov 2019
Cited by 1 | Viewed by 1201
Abstract
An eco-friendly methodology for the synthesis of novel Schiff base analogs of Raltegravir, an Integrase inhibitor drug is described. Pertinence of these imine derivatives is related to Medicinal Chemistry to develop new anti-VIH compounds. To our knowledge, this is the first report of [...] Read more.
An eco-friendly methodology for the synthesis of novel Schiff base analogs of Raltegravir, an Integrase inhibitor drug is described. Pertinence of these imine derivatives is related to Medicinal Chemistry to develop new anti-VIH compounds. To our knowledge, this is the first report of the synthesis of Schiff base using a Raltegravir drug fragment as amino component. In addition, these Imines will be used as a synthetic precursor to prepare other nitrogen heterocycles of biological relevance such as 1,5-disubstituted Tetrazoles. Full article
6 pages, 288 KiB  
Proceeding Paper
Deuteration of Alkenes with NaBD4/AcOD in Pre-Sence of Pd on Carbon
by Fatima AlJunaibi, Hanan Aldhanhani, Halima Alawani, Amnah Al Hmoudi, Abdullah Al-Hemyari and Thies Thiemann
Proceedings 2019, 41(1), 6; https://doi.org/10.3390/ecsoc-23-06461 - 14 Nov 2019
Cited by 1 | Viewed by 1487
Abstract
Activated alkenes such as cinnamates and chalcones can easily be converted to 2,3-dideuterio-arylpropionates and dideuteriochalcones, respectively, by the action of NaBD4, AcOD in the presence of Pd on carbon. Toluene or benzene was used as solvent. It was shown that Pd [...] Read more.
Activated alkenes such as cinnamates and chalcones can easily be converted to 2,3-dideuterio-arylpropionates and dideuteriochalcones, respectively, by the action of NaBD4, AcOD in the presence of Pd on carbon. Toluene or benzene was used as solvent. It was shown that Pd on carbon was necessary for the reaction to proceed. Deuterium addition experiments were also carried out with NaBD4, AcOD, D2O in the presence of Pd on carbon. Full article
6 pages, 691 KiB  
Proceeding Paper
Synthesis of 1,3-Oxazoles via Van Leusen Reaction in a Pressure Reactor and Preliminary Studies of Cations Recognition
by Verónica G. García-Ramírez, Claudia Contreras-Celedón, Gabriela Rodriguez-García, Luis Chacón-García and Carlos J. Cortes-García
Proceedings 2019, 41(1), 7; https://doi.org/10.3390/ecsoc-23-06463 - 31 Dec 2019
Cited by 1 | Viewed by 1398
Abstract
Six 1,3-oxazoles were synthetized in moderate to good yields by Van Leusen reaction in a pressure reactor. The methodology allowed to decrease the reaction times reported in the literature from hours to 20 min. In addition, preliminary qualitative recognition of cations with some [...] Read more.
Six 1,3-oxazoles were synthetized in moderate to good yields by Van Leusen reaction in a pressure reactor. The methodology allowed to decrease the reaction times reported in the literature from hours to 20 min. In addition, preliminary qualitative recognition of cations with some synthetized oxazoles such as Hg2+, Ni2+, Zn2+, Ag+, Cu2+, Pb2+ was done and a “turn off” effect was observed with Ni2+. Finally, the 1,3-oxazoles could be of biological relevance because they are considered privileged nucleus in medicinal chemistry and therefore will be useful to obtain pharmacophoric hybrid molecules. Full article
24 pages, 1243 KiB  
Proceeding Paper
An Improved Synthesis of Key Intermediate to the Formation of Selected Indolin-2-ones Derivatives Incorporating Ultrasound and Deep Eutectic Solvent (DES) Blend of Techniques, for Some Biological Activities and Molecular Docking Studies
by Mohd Imran, Md. AfrozBakht, Abida Khan, Md. Tauquir Alam, Anouar El Hassane, Mohammed B. Alshammari, Noushin Ajmal, Archana Vimal, Awanish Kumar and Yassine Riadi
Proceedings 2019, 41(1), 8; https://doi.org/10.3390/ecsoc-23-06592 - 14 Nov 2019
Viewed by 1169
Abstract
We have developed a new idea to synthesize key intermediate molecule by utilizing deep eutectic solvent (DES) and ultrasound in a multistep reaction to ensure process cost-effective. Key intermediate (3) and final compounds (4a–n) were synthesized in a higher yield of 95% and [...] Read more.
We have developed a new idea to synthesize key intermediate molecule by utilizing deep eutectic solvent (DES) and ultrasound in a multistep reaction to ensure process cost-effective. Key intermediate (3) and final compounds (4a–n) were synthesized in a higher yield of 95% and 80–88% respectively. Further, final compounds (4a–n) were assessed for their anti-inflammatory, analgesic, ulcerogenic and lipid peroxidation. The compounds 4f, 4g, 4j, 4l, and 4m showed good anti-inflammatory activity, while 4f, 4i, and 4n exhibited very good analgesic activity as compared to the standard drug. The ulcerogenicity of selected compounds was far less than the indomethacin. The ligands had also shown a good docking score (4f = −6.859 and 4n = −7.077) as compared to control indomethacin (−6.109).State-of-art DFT theory was used to validate the lipid peroxidation mechanism of the active compounds which was in good agreement with the variations of BDEs and IP of the tested compounds. Full article
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8 pages, 1033 KiB  
Proceeding Paper
Design, Synthesis and Antimicrobial Evaluation of New Norfloxacin-Naphthoquinone Hybrid Molecules
by Andrea Defant, Alessandro Vozza and Ines Mancini
Proceedings 2019, 41(1), 9; https://doi.org/10.3390/ecsoc-23-06480 - 14 Nov 2019
Cited by 2 | Viewed by 1063
Abstract
Although the wide arsenal of drugs available to treat bacterial infections, emerging drug-resistant bacterial pathogens have recently highlighted an urgent need to find new more effective and less toxic therapeutic agents. Fluoroquinolones, including norfloxacin, are antibiotics showing a concentration-dependent bactericidal capacity due to [...] Read more.
Although the wide arsenal of drugs available to treat bacterial infections, emerging drug-resistant bacterial pathogens have recently highlighted an urgent need to find new more effective and less toxic therapeutic agents. Fluoroquinolones, including norfloxacin, are antibiotics showing a concentration-dependent bactericidal capacity due to the activity inhibition of DNA-gyrase and topoisomerase IV, which are enzymes essential for bacterial DNA replication. Naphthoquinones are secondary metabolites showing different biological activities, including cytotoxic, antibacterial and antifungal effects. In particular, the efficacy of natural and synthetic 1,4-naphthoquinone derivatives is likely due to their oxidizing/reducing capability, through which they destroy cellular targets as nucleic acids. Hybrid molecules are produced combining structural features of two or more bioactive compounds, in order to obtain new therapeutic agents able, not only to reduce undesirable side effects of the parent drugs, but also to inhibit more biological targets, hopefully with a better therapeutic property than the administration of combined single-target drugs. With the aim to apply this strategy in the study of new potential antimicrobial agents, we have synthesized four hybrid molecules by the reaction of norfloxacin with suitable quinones and their activities have been evaluated against both bacteria and fungi, in comparison with synthetic precursors. The experimental data are supported by docking calculations on S. aureus DNA-gyrase, discussing the interactions involved for each hybrid molecule, in comparison with norfloxacin and the original ligand moxifloxacin. Full article
7 pages, 555 KiB  
Proceeding Paper
Synthesis and Characterization of Some 5-Acetylbarbituric Based Thiosemicarbazone Derivatives
by Alfonso Castiñeiras, Nuria Fernández-Hermida, Isabel García-Santos and Lourdes Gómez-Rodríguez
Proceedings 2019, 41(1), 10; https://doi.org/10.3390/ecsoc-23-06479 - 14 Nov 2019
Cited by 1 | Viewed by 982
Abstract
A new series of 5-acetylbarbituric based thiosemicarbazones named 5-acetylbarbituric hydrazine-1-carbothioamide (Acb4NDH, 1), N-methyl-(5-acetylbarbituric)hydrazine- 1-carbothioamide (Acb4NM, 2), N-ethyl-(5-acetylbarbituric)hydrazine-1-carbothioamide (Acb4NE, 3), N,N-dimethyl-(5-acetylbarbituric)hydrazine-1-carbothioamide (Acb4NDM, 4), N′-piperidine- (5-acetylbarbituric)-1-carbothiohydrazide (Acb4Npip, 5) and N′-hexamethyleneimine- (5-acetylbarbituric)-1-carbothiohydrazide (Acb4Nhexim, 6), has been [...] Read more.
A new series of 5-acetylbarbituric based thiosemicarbazones named 5-acetylbarbituric hydrazine-1-carbothioamide (Acb4NDH, 1), N-methyl-(5-acetylbarbituric)hydrazine- 1-carbothioamide (Acb4NM, 2), N-ethyl-(5-acetylbarbituric)hydrazine-1-carbothioamide (Acb4NE, 3), N,N-dimethyl-(5-acetylbarbituric)hydrazine-1-carbothioamide (Acb4NDM, 4), N′-piperidine- (5-acetylbarbituric)-1-carbothiohydrazide (Acb4Npip, 5) and N′-hexamethyleneimine- (5-acetylbarbituric)-1-carbothiohydrazide (Acb4Nhexim, 6), has been synthesized from 5-acetylbarbituric acid and N-unsubstituted/substituted thiosemicarbazides. The synthesized compounds were well characterized by elemental analyses, FT-IR, 1H, 13C NMR and mass spectroscopic methods. Three-dimensional molecular structures of three compounds (1, 2 and 6) and of N,3-dimethyl-4-(5-(methylamino)-1,3,4λ4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrazole- 1-carbothioamide ethyl sulfate salt (7) were determined by single crystal X-ray crystallography. The compounds were evaluated for their in vitro cytotoxicity against HeLa-229 cancer cell line. Full article
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7 pages, 329 KiB  
Proceeding Paper
Preparation and Hydro-Lipophilic Properties of Selected Novel Chlorinated and Brominated N-Arylcinnamamides
by Tomas Strharsky, Timotej Jankech, Jiri Kos, Kristina Maricakova, Andrea Pramukova, Milan Hutta, Ferdinand Devinsky and Josef Jampilek
Proceedings 2019, 41(1), 11; https://doi.org/10.3390/ecsoc-23-06595 - 14 Nov 2019
Cited by 1 | Viewed by 1307
Abstract
A series of six di- and tri-halogenated N-arylcinnamanilides designed as anti-inflammatory and antimicrobial agents was prepared and characterized. Since it is known that lipophilicity significantly influences the biological activity of compounds, the hydro-lipophilic properties of these di- and tri-substituted N-arylcinnamanilides were investigated in [...] Read more.
A series of six di- and tri-halogenated N-arylcinnamanilides designed as anti-inflammatory and antimicrobial agents was prepared and characterized. Since it is known that lipophilicity significantly influences the biological activity of compounds, the hydro-lipophilic properties of these di- and tri-substituted N-arylcinnamanilides were investigated in the study. All the discussed derivatives of cinnamic acid were analyzed using the reversed-phase high performance liquid chromatography method to measure lipophilicity. The procedure was performed under isocratic conditions with methanol as an organic modifier in the mobile phase using an end-capped non-polar C18 stationary reversed-phase column. In the present study, the correlations between the logarithm of the capacity factor k and log P/Clog P values calculated in various ways as well as the relationships between the lipophilicity and the chemical structure of the studied compounds are discussed. Full article
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9 pages, 422 KiB  
Proceeding Paper
Microwave Assisted Synthesis and Its Cytotoxicity Study of 4H-Pyrano[2,3-a]acridine-3-carbonitrile Intermediate: Experiment Design for Optimization Using Response Surface Methodology
by Selvaraj Mohana Roopan, Annadurai Bharathi and Duraipandi Devi Priya
Proceedings 2019, 41(1), 12; https://doi.org/10.3390/ecsoc-23-06594 - 14 Nov 2019
Viewed by 856
Abstract
Several synthetic routes have been achieved to synthesize pyrane fused systems. As a follow up of earlier work, we hereby report the microwave assisted synthesis of key intermediate, pyrane fused acridine compounds 3af. It was obtained by treating α,β-unsaturated ketone [...] Read more.
Several synthetic routes have been achieved to synthesize pyrane fused systems. As a follow up of earlier work, we hereby report the microwave assisted synthesis of key intermediate, pyrane fused acridine compounds 3af. It was obtained by treating α,β-unsaturated ketone 1af and malononitrile 2 in presence of piperidine with ethanolic solution at 50 C under 200 W power. This method also optimized via microwave method using RSM methodology. All the synthesized derivatives and target compounds were evaluated for cytotoxicity effect on human hepatoblastoma (HepG2) cell line and HDAC enzyme activity. Full article
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8 pages, 653 KiB  
Proceeding Paper
Ultrasound-Assisted Syntheses of Chalcones: Experimental Design and Optimization
by Nicolás Cancio, Andrea R. Costantino, Gustavo F. Silbestri and Marcelo T. Pereyra
Proceedings 2019, 41(1), 13; https://doi.org/10.3390/ecsoc-23-06475 - 14 Nov 2019
Cited by 1 | Viewed by 1512
Abstract
Chalcones are a group of compounds that belong to the flavonoid family and have a wide variety of uses, including a high therapeutic potential for multiple diseases, such as, anticancer, antifungal or antibacterial agents. As is well known, chalcones are commonly synthesized by [...] Read more.
Chalcones are a group of compounds that belong to the flavonoid family and have a wide variety of uses, including a high therapeutic potential for multiple diseases, such as, anticancer, antifungal or antibacterial agents. As is well known, chalcones are commonly synthesized by Claisen-Schmidt condensation, aldol condensation involving the appropriate aldehydes and ketones, in presence of acid or base as catalyst followed by dehydration reactions. However, under conventional conditions it is carried out with prolonged reaction times and requires expensive catalysts. For this reason, alternative source of energy, microwave or ultrasound, are employed. On the other hand, in all chemical processes a considerable amount of variables (instrumental parameters, reagents, temperatures, times, etc.) take part so a large number of experiments must be carried out in order to define the optimal conditions. In addition, the experimental design technique -important tool- allows the optimization of conditions leading to better yields in shorter times. Here and in line with previous research, we explore the synthesis, assisted by ultrasound, of (E)-1,3-diphenyl-2-propen-1-one like a model reaction. Taguchi Design was the mathematical method employed to determine the best working condition. In conclusion, the desired product is obtained quantitatively, without undesired by-products, and in short reaction times. Additionally, the reaction was used, as an alternative method, to monitor the ultrasound equipment using the control chart methodology (Shewhart chart), which allowed us to study how a process changes over time. Full article
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4 pages, 235 KiB  
Proceeding Paper
Sulfonated Graphitic Carbon Nitride (Sg-C3N4): A Highly Efficient Heterogeneous Organo-Catalyst for Condensation Reactions
by Hossein Ghafuri, Peyman Hanifehnejad, Zeynab Rezazadeh and Afsaneh Rashidizadeh
Proceedings 2019, 41(1), 14; https://doi.org/10.3390/ecsoc-23-06611 - 14 Nov 2019
Cited by 2 | Viewed by 1442
Abstract
Currently, constructing solid acid catalysts with well-defined structures, environmentally benign, with high catalytic activity, easy separation, and high chemical stability is the most important area of industrial and environmental concern. Over the past few decades, porous conjugated polymers have been employed as stable [...] Read more.
Currently, constructing solid acid catalysts with well-defined structures, environmentally benign, with high catalytic activity, easy separation, and high chemical stability is the most important area of industrial and environmental concern. Over the past few decades, porous conjugated polymers have been employed as stable catalyst supports for various organic transformations. Among these materials, graphitic carbon nitride (g-C3N4) has been widely studied in the field of photocatalysis and heterogeneous catalysis, due to its high surface area and great physical and chemical stability. Herein, we report the synthesis of sulfonated graphitic carbon nitride (Sg-C3N4) as an efficient solid acid catalyst for the preparation of various biologically nitrogen-containing heterocyclic compounds under mild reaction conditions. Full article
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9 pages, 439 KiB  
Proceeding Paper
Experimental and Theoretical Approach to the Corrosion Inhibition of Mild Steel in HCl Solution by a Newly Coumarin
by Fanar Hashim, Khalida Al-Azawi, Shaimaa B. Al-Bghdadi, Lina M. Shaker and Ahmed Al-Amiery
Proceedings 2019, 41(1), 15; https://doi.org/10.3390/ecsoc-23-06477 - 14 Nov 2019
Cited by 3 | Viewed by 1059
Abstract
New coumarin namely 2-(3-(7-methylcoumarin)acetamido)benzoic acid (MAB) was successfully synthesized by reaction of ethyl 2-(7-methylcoumarin)acetate with anthranilic acid. The chemical structure of MAB was confirmed by FT-IR, NMR spectroscopies and Elemental Analysis. The inhibition performance of MAB was investigated using the weight loss method. [...] Read more.
New coumarin namely 2-(3-(7-methylcoumarin)acetamido)benzoic acid (MAB) was successfully synthesized by reaction of ethyl 2-(7-methylcoumarin)acetate with anthranilic acid. The chemical structure of MAB was confirmed by FT-IR, NMR spectroscopies and Elemental Analysis. The inhibition performance of MAB was investigated using the weight loss method. The results illustrate the strong adsorption of MAB molecules on the mild steel coupon surface and this adsorption follows the Langmuir adsorption isotherm. DFT calculations were performed to show the relationship between the MAP molecular structure and inhibition performance. Full article
12 pages, 541 KiB  
Proceeding Paper
Synthesis of Novel and Potential Antimicrobial, Antioxidant and Anticancer Chalcones and Dihydropyrazoles Bearing Isoxazole Scaffold
by Afzal Shaik, Palleapati Kishor and Venkata Kancharlapalli
Proceedings 2019, 41(1), 16; https://doi.org/10.3390/ecsoc-23-06476 - 14 Jan 2020
Cited by 2 | Viewed by 1625
Abstract
A series of isoxazole based (E)-1-(isoxazole-5-yl)-3-(substituted phenyl)-prop-2-en-1-ones (chalcones, 3a-3o) and 3-(isoxazol-5-yl)-5-(substituted phenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide (dihydropyrazoles, 4a-4o) were synthesized, characterized and evaluated for their antimicrobial, antioxidant and anticancer properties. Chalcones exhibited excellent antibacterial and antioxidant activities whereas the dihydropyrazoles shown superior antifungal [...] Read more.
A series of isoxazole based (E)-1-(isoxazole-5-yl)-3-(substituted phenyl)-prop-2-en-1-ones (chalcones, 3a-3o) and 3-(isoxazol-5-yl)-5-(substituted phenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide (dihydropyrazoles, 4a-4o) were synthesized, characterized and evaluated for their antimicrobial, antioxidant and anticancer properties. Chalcones exhibited excellent antibacterial and antioxidant activities whereas the dihydropyrazoles shown superior antifungal and anticancer activities. The compound 3l containing 3,4,5-trimethoxy phenyl ring showed the potent antibacterial activity (MIC = 1 µg/mL) as well as the antioxidant activity (IC50 = 5 µg/mL) whereas the dihydropyrazole, 4o (MIC = 0.5 µg/mL) bearing the 2-chloro-3,4-dimethoxyphenyl was the potent antifungal compound identified. The dihydropyrazoles 4n and 4h possessing 2-fluoro-3,4-dimethoxyphenyl and 3,4-dimethoxyphenyl substituents exhibited potent anticancer activity against prostate cancer cell line (DU-145) with MIC 2 and 4 µg/mL respectively. The structure activity relationships had shown that there is a marked influence of both electron withdrawing halogens and electron releasing methoxyl groups on the above biological activities. All the compounds were evaluated for toxicity on normal human cell lines (LO2) and found to be non-toxic. These studies could help to synthesize, explore and identify new isoxazole containing leads for antimicrobial, antioxidant and anticancer properties. Full article
9 pages, 455 KiB  
Proceeding Paper
New 1,3,5-Triazine Derivatives Incorporating Aminobenzenesulfonamide, Aminoalcohol, Piperazine, Chalcone or Stilbene Structural Motifs and Evaluation of Their Antioxidative Activity
by Eva Havránková, Nikola Čalkovská, Tereza Padrtová, Jozef Csöllei, Radka Opatřilová and Pavel Pazdera
Proceedings 2019, 41(1), 17; https://doi.org/10.3390/ecsoc-23-06598 - 14 Nov 2019
Viewed by 1028
Abstract
A series of 1,3,5-triazine derivatives, incorporating aminobenzenesulfonamide, aminoalcohol/phenol, piperazine, chalcone, or stilbene structural motifs, were evaluated as potential antioxidants. The compounds were prepared by using step by step nucleophilic substitution of chlorine atoms in starting 2,4,6-trichloro-1,3,5-triazine. Reactions were catalyzed by Cu(I)-supported on a [...] Read more.
A series of 1,3,5-triazine derivatives, incorporating aminobenzenesulfonamide, aminoalcohol/phenol, piperazine, chalcone, or stilbene structural motifs, were evaluated as potential antioxidants. The compounds were prepared by using step by step nucleophilic substitution of chlorine atoms in starting 2,4,6-trichloro-1,3,5-triazine. Reactions were catalyzed by Cu(I)-supported on a weakly acidic resin. The radical scavenging activity was determined in terms of %inhibition activity and IC50, using the ABTS method. Trolox and ascorbic acid (ASA) were used as standards. In the lowest used concentration 1 × 10−4 M, the %inhibition activity at time 0 min was comparable with both standards at least for 10 compounds. After 60 min compounds 1, 2, 9 and 25 showed nearly twice %inhibition (73.44–87.09%) in comparison with standards (Trolox = 41.49%; ASA = 31.07%). Values of IC50 correlated with %inhibition activity. For compounds 1, 2, 9 and 25 values of IC50 in time 60 min (17.16–27.78 μM) were 5 times lower than IC50 of both standards (Trolox = 178.33 μM; ASA = 147.47 μM). Based on these results, the presented 1,3,5-triazine derivatives and their analogs have a high potential in the treatment of illnesses caused or related to oxidative stress. Full article
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7 pages, 621 KiB  
Proceeding Paper
A BODIPY-Based Fluorescent Sensor for Amino Acids Bearing Thiol
by Edurne Avellanal-Zaballa, Ágata Ramos-Torres, Alejandro Prieto-Castañeda, Fernando García-Garrido, Jorge Bañuelos, Antonia R. Agarrabeitia and María J. Ortiz
Proceedings 2019, 41(1), 18; https://doi.org/10.3390/ecsoc-23-06486 - 14 Nov 2019
Cited by 1 | Viewed by 1579
Abstract
Herein, we describe the synthetic route to access a red-emitting BODIPY from its α-diformylated precursor. The photophysical signatures of this dye are sensitive to the presence of thiol-containing amino acids (like cysteine, homocysteine, and glutathione) in the surrounding environment. This sensor provides up [...] Read more.
Herein, we describe the synthetic route to access a red-emitting BODIPY from its α-diformylated precursor. The photophysical signatures of this dye are sensitive to the presence of thiol-containing amino acids (like cysteine, homocysteine, and glutathione) in the surrounding environment. This sensor provides up to three detection channels to monitor and quantify these biomolecules, even at low concentrations (down to micromolar). Moreover, owing to the pronounced splitting of the spectral band profile induced by these amino acids, the detection can be visualized following just the evolution of the fluorescence color by the naked eye. Full article
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6 pages, 412 KiB  
Proceeding Paper
In-Situ Preparation of Three Types of Noble Metal Nanoparticles-Polyacrylonitrile Nanofibers (NM NPs-PAN NFs, M = Pt, Au, and Ag) Using Electrospinning Technique Assisted with Ultrasound Irradiation
by Gheffar Kh. Kara and Azadeh Tadjaordi
Proceedings 2019, 41(1), 19; https://doi.org/10.3390/ecsoc-23-06488 - 14 Nov 2019
Cited by 1 | Viewed by 987
Abstract
In recent years, the many alluring methods to prepare inorganic-organic hybrid nanomaterials have garnered great interest. The in-situ growth phenomenon is the most straightforward way to form these compounds with multiply dimensions. Here in, we demonstrate the in-situ synthesis of noble metal nanoparticles-polyacrylonitrile [...] Read more.
In recent years, the many alluring methods to prepare inorganic-organic hybrid nanomaterials have garnered great interest. The in-situ growth phenomenon is the most straightforward way to form these compounds with multiply dimensions. Here in, we demonstrate the in-situ synthesis of noble metal nanoparticles-polyacrylonitrile nanofibers (M NPs-PAN NFs) using an electrospinning route. Synthesis includes two main paths in the presence of dimethyl formamide (DMF). In the first path, the M NPs were prepared from the precursor solution using an in-situ reduction route in the presence of ultrasound irradiation and DMF (as a solvent and weak reducing agent) at 60 °C for nine min. The mechanism of our second path exhibited that the polymer matrix solution (PAN/DMF) acts as an appropriate host solution for the MNPs, due to possessing a high contents of effectiveness groups. These groups not only anchor NM NPs tightly in PAN fibers via dipole-induced dipole interactions but also they stabilize metal nanoparticles by good bonding interaction with their surface atoms. After preparing all nanofibers, TEM images revealed that both M NPs and their related nanofibers have a particular and unique shape without agglomerated particles with different sizes. Field emission scanning electron microscopy (FESEM), x-ray diffraction (XRD), energy-dispersive x-ray spectroscopy (EDS), and Fourier-transform infrared (FT-IR) were also applied to verify the formation of all samples. In this report, we tried to present a preparative synthesis strategy to the preparation of nanofibers. Full article
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5 pages, 373 KiB  
Proceeding Paper
Synthesis of Pyrrolidinols by Radical Additions to Carbonyls Groups
by Francesca Marini, Martina Palomba, Luana Bagnoli and Claudio Santi
Proceedings 2019, 41(1), 20; https://doi.org/10.3390/ecsoc-23-06606 - 14 Nov 2019
Viewed by 815
Abstract
Radical cyclizations represent powerful synthetic strategies for the assembling of heterocycles. Most radical cyclizations are based on the addition to C C double or triple bonds. On the contrary, the addition to C O double bonds is rarely reported, since it proceeds reversibly [...] Read more.
Radical cyclizations represent powerful synthetic strategies for the assembling of heterocycles. Most radical cyclizations are based on the addition to C C double or triple bonds. On the contrary, the addition to C O double bonds is rarely reported, since it proceeds reversibly due to the formation of thermodynamically unfavorable alkoxy radicals. Herein we report our attempts to construct substituted pyrrolidin-3-ols by tin-mediated radical cyclization of 5-phenylseleno-3-aza-pentanals. These rings are widely represented in natural products and drug candidates with various biological activities. Full article
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5 pages, 2614 KiB  
Proceeding Paper
A Molecular Docking of New 9β-Halogenated Prostaglandin Analogues
by Constantin I. Tanase, Lucia Pintilie and Elena Mihai
Proceedings 2019, 41(1), 21; https://doi.org/10.3390/ecsoc-23-06504 - 14 Nov 2019
Viewed by 1021
Abstract
Prostaglandins (PGs) with cytoprotective activity were studied for a long time, and a few PGE1 and PGE2 stable analogues were promoted as drugs: arbaprostil, enprostil, misoprostol, and rioptostol. Similarly, nocloprost, a 9β-chlorine prostaglandin analogue, and many 9β- and 11β-substituted prostaglandins were [...] Read more.
Prostaglandins (PGs) with cytoprotective activity were studied for a long time, and a few PGE1 and PGE2 stable analogues were promoted as drugs: arbaprostil, enprostil, misoprostol, and rioptostol. Similarly, nocloprost, a 9β-chlorine prostaglandin analogue, and many 9β- and 11β-substituted prostaglandins were synthesized and studied for their biological activity. We previously synthesized new 9β-halogenated prostaglandins with an ester group at the carbon atom 6 (PGs numbering) by the reaction of a δ-lactone intermediate with diols in acid catalysis. These compounds were used in the current molecular docking study to determine their potential cytoprotective (anti-ulcer) activity. The current study was done with the CLC Drug Discovery Workbench 2.4. software and an oxidoreductase enzyme receptor, chosen from the Protein Data Bank, ID: 4KEW (www.rcsb.org). We used two recognized drugs, omeprazole (co-crystallized with the enzyme) and nocloprost, as the standard. The 9β-halogenated prostaglandin analogs were docked. Nocloprost and all 9β-halogenated compounds had docking scores greater than that of omeprazole. The majority of the 9β-halogenated analogs had docking scores even greater than that of nocloprost, indicating that these compounds could have potential cytoprotective (anti-ulcer) activity. A few correlations between docking score and substituents on the prostaglandin skeleton were found. Full article
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5 pages, 304 KiB  
Proceeding Paper
N-Terpenyl Benzisoselenazolones—Evaluation of the Particular Structure-Bioactivity Relationship
by Magdalena Obieziurska, Agata J. Pacuła, Anna Laskowska, Angelika Długosz-Pokorska, Marek Krzemiński, Anna Janecka and Jacek Ścianowski
Proceedings 2019, 41(1), 22; https://doi.org/10.3390/ecsoc-23-06468 - 14 Nov 2019
Viewed by 946
Abstract
Different activity of compounds with the same molecular formula but possessing alternative bonding arrangement or orientation of atoms in space is a very important issue when constructing molecules that can selectively interact with certain domains of the biological target. Herein, we present the [...] Read more.
Different activity of compounds with the same molecular formula but possessing alternative bonding arrangement or orientation of atoms in space is a very important issue when constructing molecules that can selectively interact with certain domains of the biological target. Herein, we present the synthesis of the new chiral benzisoselenazol-3(2H)-ones substituted on the nitrogen atom with three monoterpene moieties: p-menthane, pinane and carane. All derivatives were obtained by the reaction of an appropriate amine with 2-(chloroseleno)benzoyl chloride. The applied terpenyl amines were first synthetized by a multistep procedure starting from the corresponding alcohol (p-menthane system) or alkene (pinene and carene systems). Finally, all compounds were tested as antioxidants and antiproliferative agents on breast cancer MCF-7 and human promyelocytic leukemia cell line HL-60. The correlation between the structure of the obtained organoselenium compounds, representing examples of various isomers including enantiomers, diastereoisomers and regioisomers, and their bio-activity was thoroughly evaluated. Full article
11 pages, 529 KiB  
Proceeding Paper
Synthesis, Antibacterial, and Antifungal Activities of Hybrid Molecules Based on Alzheimer Disease Drugs and Bearing an Amino Acid Fragment
by Radoslav Chayrov, Aleksandra Tencheva, Hristina Sbirkova-Dimitrova, Boris Shivachev, Anna Kujumdzieva, Trayana Nedeva and Ivanka Stankova
Proceedings 2019, 41(1), 23; https://doi.org/10.3390/ecsoc-23-06602 - 14 Nov 2019
Cited by 1 | Viewed by 1315
Abstract
The objective of the current study was to develop novel compounds–memantine derivatives with antimicrobial activity designed for application in treatment of bacterial and fungal infections in patients suffering from Alzheimer’s disease. To realize this objective, a series of six memantine hybrid molecules were [...] Read more.
The objective of the current study was to develop novel compounds–memantine derivatives with antimicrobial activity designed for application in treatment of bacterial and fungal infections in patients suffering from Alzheimer’s disease. To realize this objective, a series of six memantine hybrid molecules were synthesized, characterized by 1H NMR, 13C NMR, MS, X-ray, and tested for their biological properties as anti-Alzheimer agents and their antimicrobial potential. Full article
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3 pages, 226 KiB  
Proceeding Paper
Synthesis of New 2-Oxo-1,2-Dihydropyridine-3-Carboxylic Acid Derivatives
by Victor V. Dotsenko, Alena A. Russkih, Nikolai A. Aksenov and Inna V. Aksenova
Proceedings 2019, 41(1), 24; https://doi.org/10.3390/ecsoc-23-06523 - 14 Nov 2019
Viewed by 1223
Abstract
2,2-Dimethyl-5-((phenylamino)methylene)-1,3-dioxane-4,6-dione, prepared by the reaction of Meldrum’s acid with triethyl orthoformate and aniline, reacts with active methylene nitriles to afford 2-oxo-1,2-dihydropyridine-3-carboxylic acid derivatives, which are useful as drug precursors or perspective ligands. Full article
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2 pages, 216 KiB  
Extended Abstract
BODIPY (meso-phenyl-meso) Dimer as Photovoltaic Material
by Leonardo F. K. Santos, António Aguiar and Abílio J. F. N. Sobral
Proceedings 2019, 41(1), 25; https://doi.org/10.3390/ecsoc-23-06490 - 14 Nov 2019
Viewed by 782
Abstract
Derivatives of boron-dipyrromethene (BODIPY) constitute an important class of chromophores. [...] Full article
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8 pages, 398 KiB  
Proceeding Paper
Synthesis of New bis 1-Substituted 1H-Tetrazoles via Efficient Heterocyclizations from Symmetric Dianilines, Methyl Orthoester, and Sodium Azide
by Julio C. Flores-Reyes, Roberto E. Blanco-Carapia, Alfredo López-Olvera, Perla Islas-Jácome, Yizrell Medina-Martínez, Mónica A. Rincón-Guevara, Ilich A. Ibarra, Leticia Lomas-Romero, Eduardo González-Zamora and Alejandro Islas-Jácome
Proceedings 2019, 41(1), 26; https://doi.org/10.3390/ecsoc-23-06521 - 14 Nov 2019
Cited by 1 | Viewed by 1002
Abstract
The synthesis and characterization of three new bis 1-substituted 1H-tetrazoles are described. Two products were synthesized in a single step via a direct heterocyclization of primary amines, methyl orthoester (trymethyl orthoformate), and sodium azide in 30% and 91% yields, respectively. Besides, [...] Read more.
The synthesis and characterization of three new bis 1-substituted 1H-tetrazoles are described. Two products were synthesized in a single step via a direct heterocyclization of primary amines, methyl orthoester (trymethyl orthoformate), and sodium azide in 30% and 91% yields, respectively. Besides, another one was prepared via a three-step synthetic strategy: SNAr (32%), nitro-group reduction (66%), and primary amine heterocyclization (83%), yielding 18%, overall. The aim behind the synthesis of new tetrazole-containing products is to construct novel MOF-like structures to evaluate their gas capture properties (CO2, CO, and SO2) under relative humidity conditions. Full article
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9 pages, 393 KiB  
Proceeding Paper
Benzylidene as Efficient Corrosion Inhibition of Mild Steel in Acidic Solution
by Shaimaa B. Al-Bghdadi, Mahdi M. Hanoon, Jafer F. Odah, Lina M. Shaker and Ahmed A. Al-Amiery
Proceedings 2019, 41(1), 27; https://doi.org/10.3390/ecsoc-23-06472 - 14 Nov 2019
Cited by 3 | Viewed by 1096
Abstract
A New benzylidene derivative namely benzylidene-5-phenyl-1,3,4-thiadiazol-2-amine (BPTA), was successfully synthesized and characterized using Fourier Transform Infrared Spectroscopy, Nuclear Magnetic Resonance and elemental analysis (CHN) techniques. The inhibition efficiency of BPTA on mild steel corrosion in 1.0 N HCl was tested at various temperatures. [...] Read more.
A New benzylidene derivative namely benzylidene-5-phenyl-1,3,4-thiadiazol-2-amine (BPTA), was successfully synthesized and characterized using Fourier Transform Infrared Spectroscopy, Nuclear Magnetic Resonance and elemental analysis (CHN) techniques. The inhibition efficiency of BPTA on mild steel corrosion in 1.0 N HCl was tested at various temperatures. The methodological work was achieved by gravimetric method complemented with morphological investigation. The concentrations of inhibitor were 0.1, 0.2, 0.3, 0.4 and 0.5 mM at the temperatures 303, 313, 323 and 333 K. The BPTA, molecules as become superior corrosion inhibitor with 92% inhibition efficiency of mild steel coupon in the acidic environment. The inhibition efficiency increased with increasing concentrations of BPTA and the excellent efficiency was performed with the 0.5 mM concentration and followed with 0.4 mM. In acidic environment, the 0.5 and 0.4 mM gave the optimum performance with weight loss technique and scanning electron microscopy analysis. On the other hand, the inhibition efficiency decreased with the increase of temperature. Results of BPTA indicated mixed type inhibitor and the adsorption on the mild steels surface obeys the Langmuir adsorption isotherm. It was found that the BPTA performance depend on the concentration and the solution temperature. Quantum chemical calculations have been done to correlate the electronic characteristics of BPTA with the corrosive inhibitive impact. Experimental and theoretical results are in good agreement. Full article
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7 pages, 885 KiB  
Proceeding Paper
1,3-Di(hetero)aryl-7-substituted Pyrenes—An Undiscovered Area of Important Pyrene Derivatives
by Dawid Zych
Proceedings 2019, 41(1), 28; https://doi.org/10.3390/ecsoc-23-06470 - 14 Nov 2019
Cited by 2 | Viewed by 915
Abstract
In this work, the necessity of synthesis of 1,3-di(hetero)aryl-7-substituted pyrenes is presented based on the results of theoretical calculations by using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) by using Gaussian 09 program with B3LYP exchange-correlation functional and 6-31G** basis [...] Read more.
In this work, the necessity of synthesis of 1,3-di(hetero)aryl-7-substituted pyrenes is presented based on the results of theoretical calculations by using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) by using Gaussian 09 program with B3LYP exchange-correlation functional and 6-31G** basis set. What is more, the synthetic routes with feasible reagents and conditions are presented. The subject of theoretical considerations are two pyrene derivatives which contain at position 1 and 3 pyrazolyl substituents and at position 7 amine (1) or boron (2) derivative. The theoretical calculations were also performed for the osmium complexes with mentioned ligands (3 and 4). The influence of electron-donating/accepting character of the substituent at position 7 of pyrene on the properties of molecules has been established. Full article
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11 pages, 1011 KiB  
Proceeding Paper
Synthesis of Bis(benzotriazol-1-yl)methane Derivatives by Cobalt-Catalyzed Formation of C-C Bonds
by Valentina Ferraro, Marco Bortoluzzi and Jesús Castro
Proceedings 2019, 41(1), 29; https://doi.org/10.3390/ecsoc-23-06469 - 14 Nov 2019
Cited by 3 | Viewed by 1164
Abstract
The compounds bis(benzotriazol-1-yl)phenylmethane and bis(benzotriazol-1-yl)pyridin-2-ylmethane were prepared by reacting (benzotriazol-1-yl)methanone and benzaldehyde or pyridine-2-carboxaldehyde using CoCl2 as catalyst under neat conditions. The products were characterized spectroscopically and the solid-state structures were ascertained by single-crystal X-ray diffraction. Full article
8 pages, 370 KiB  
Proceeding Paper
Preparation and Photosynthesis-Inhibiting Activity of Novel Dihalogenated 3-Hydroxynaphthalene-2-carboxanilides
by Jiri Kos, Tomas Gonec, Tomas Strharsky, Michal Oravec and Josef Jampilek
Proceedings 2019, 41(1), 30; https://doi.org/10.3390/ecsoc-23-06596 - 14 Nov 2019
Viewed by 821
Abstract
In this study, a series of nine 3-hydroxynaphthalene-2-carboxanilides, disubstituted on the anilide ring by fluorine, chlorine and bromine in various positions, was prepared by microwave-assisted synthesis and characterized. The compounds were tested for their activity related to the inhibition of photosynthetic electron transport [...] Read more.
In this study, a series of nine 3-hydroxynaphthalene-2-carboxanilides, disubstituted on the anilide ring by fluorine, chlorine and bromine in various positions, was prepared by microwave-assisted synthesis and characterized. The compounds were tested for their activity related to the inhibition of photosynthetic electron transport (PET) in spinach (Spinacia oleracea L.) chloroplasts. The PET-inhibiting activity of the compounds was within a wide range, but rather moderate; the highest activity within the series of the compounds was observed for N-(3,5-difluorophenyl)-3-hydroxynaphthalene-2-carboxamide (IC50 = 9.8 µM). The compounds were found to inhibit PET in photosystem II. Full article
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11 pages, 1506 KiB  
Proceeding Paper
A Sonochemically-Synthesized Microporous Metal-Organic Framework for the Rapid and Efficient Ultrasonic-Assisted Removal of Mercury (II) Ions in a Water Solution and a Study of the Antibacterial Activity
by Ehsan Moradi, Rahmatollah Rahimi, Vahid Safarifard and Shahram Azari
Proceedings 2019, 41(1), 31; https://doi.org/10.3390/ecsoc-23-06482 - 14 Nov 2019
Cited by 1 | Viewed by 2049
Abstract
Nowadays, water pollution due to heavy metal ions is a great concern in all human communities. In this project, a metal-organic frameworks (MOFs), which were named Zn2(oba)2bpy, (1; H2oba = 4,4-oxybisbenzoic acid and bpy = [...] Read more.
Nowadays, water pollution due to heavy metal ions is a great concern in all human communities. In this project, a metal-organic frameworks (MOFs), which were named Zn2(oba)2bpy, (1; H2oba = 4,4-oxybisbenzoic acid and bpy = 4,4-bipyridine) linkers, were successfully synthesized. The properties of these MOFs were investigated using different techniques, such as FT-IR, XRD, and SEM analysis. The frameworks have special characteristics, like the rapid, efficient, and selective removal of metal ions from contaminated water. The use of an ultrasonic device plays an important role in shortening the absorption time of mercury (II) ions by increasing absorbent dispersion in the solution. The adsorption capacity was affected by variables such as the pH of the solution, Hg2+ initial concentration, adsorbent dosage, and contact time. For Hg(II) metal ions, the sorption capacity of 338 mgg−1 was effectively obtained by Zn2(oba)2bpy structures. The experimental adsorption data for the Zn2(oba)2bpy MOF is well-suited to the pseudo-second-order kinetic model (R2 = 0.99), and the adsorption isotherms of Hg2+ metal ions are in good agreement with the Langmuir model. This work displays the effective removal of Hg2+ ions from pollutant water in under 30 min. The antibacterial activities of Zn2(oba)2bpy (1) were tested against gram-positive and gram-negative species. The as-synthesized 1 exhibited excellent antibacterial effectiveness against Escherichia coli and Staphylococcus aureus. Full article
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3 pages, 201 KiB  
Proceeding Paper
Synthesis of (3-Cyano-5,6,7,8-Tetrahydroquinolin-2(1H)-ylidene) Malononitriles
by Victor V. Dotsenko, Inessa A. Kotlova, Nikolai A. Aksenov and Inna V. Aksenova
Proceedings 2019, 41(1), 32; https://doi.org/10.3390/ecsoc-23-06524 - 14 Nov 2019
Viewed by 760
Abstract
(3-Cyano-5,6,7,8-tetrahydroquinolin-2(1H)-ylidene)malononitriles were prepared for the first time by the reaction of arylmethylidene malononitrile dimers with N-(1-cyclohexen-1-yl) morpholine. Full article
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9 pages, 297 KiB  
Proceeding Paper
Microwave Assisted Extraction, Fractionation, Total Phenolic and Flavanoid Estimation and Antioxidant Potential of Annona reticulate Leaves
by Sandeep Waghulde, Mohan K. Kale and Vijay R. Patil
Proceedings 2019, 41(1), 33; https://doi.org/10.3390/ecsoc-23-06608 - 14 Nov 2019
Viewed by 922
Abstract
The present study focuses on the microwave assisted extraction of Annona reticulata leaves in ethanol. The extract obtained was subjected to column chromatography and the fractionation was done to get different fractions. Preliminary phytochemical screening was done and the fractions were subjected to [...] Read more.
The present study focuses on the microwave assisted extraction of Annona reticulata leaves in ethanol. The extract obtained was subjected to column chromatography and the fractionation was done to get different fractions. Preliminary phytochemical screening was done and the fractions were subjected to total phenolic and flavanoid content estimation. The crude extract contained 502 mg GAE/100 g of phenolic content and among the fractions AM8 contained the maximum amount of phenolic content that is 360 mg GAE/100 g. The flavanoid content present in the crude extract of the Annona reticulata was found to be 127 mg QE/100 g. Among all the tested fractions, the fraction AM8 showed more flavanoids i.e., 112 mg QE/100 g and 118 AN/100 g. The antioxidant activity has been studied in-vitro by using DPPH, hydrogen peroxide assay. DPPH, H2O2 and Nitric-oxide scavenging effect of Annona reticulata L. leaf extracts were found to be dose dependant with maximum inhibition at highest concentration. Methanolic extract of the leaves of Annona reticulata Linn. is found to have most potent anti-oxidant activity in DPPH, H2O2 Radical scavenging methods. IC50 value DPPH and H2O2 inhibition of methanolic extract at highest concentration (400 μg/mL) are 62.58 ± 1.15, 68.27 ± 1.05 and 64.01 ± 1.02. The results suggest that all the tested extracts are having antioxidant property, but the methanol is having significantly higher flavonoid and phenol content. Due to presence of higher flavonoid and phenol content in methanol, it may be considered as the fraction with better pharmacological property in comparison to other tested extracts. Full article
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4 pages, 505 KiB  
Proceeding Paper
Intermolecular Quenching of Edans/Dabcyl Donor–Acceptor FRET Pair
by Cátia D. F. Martins, M. Manuela M. Raposo and Susana P. G. Costa
Proceedings 2019, 41(1), 34; https://doi.org/10.3390/ecsoc-23-06613 - 14 Nov 2019
Cited by 2 | Viewed by 1856
Abstract
The intermolecular quenching between 5-(2′-aminoethyl)aminonaphthalene sulfonic acid (Edans) and 4-[[4′-(N,N-dimethylamino)phenyl]diazenyl]benzoic acid (Dabcyl) was studied by photometric and fluorimetric measurements at pH 7.5 in phosphate buffer. The spectral properties of the Edans/Dabcyl donor–acceptor pair were determined and Dabcyl exhibited an [...] Read more.
The intermolecular quenching between 5-(2′-aminoethyl)aminonaphthalene sulfonic acid (Edans) and 4-[[4′-(N,N-dimethylamino)phenyl]diazenyl]benzoic acid (Dabcyl) was studied by photometric and fluorimetric measurements at pH 7.5 in phosphate buffer. The spectral properties of the Edans/Dabcyl donor–acceptor pair were determined and Dabcyl exhibited an intense absorption band at 463 nm, contributing to the quenching efficiency. We also found the primary requirement for fluorescence resonance energy transfer (FRET), the excellent overlap between the fluorescence emission spectrum of the donor molecule and the absorption spectrum of the acceptor molecule, resulting in efficient energy transfer. The quenching mechanism was studied using the Stern–Volmer plot, confirming that this FRET pair was involved in a dynamic quenching process. Full article
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8 pages, 867 KiB  
Proceeding Paper
Design of Biologically Active Surfaces Based on Functionalized Polysulfones by Electrospinning
by Anca Filimon, Niculae Olaru, Florica Doroftei, Cristian Logigan and Simona Dunca
Proceedings 2019, 41(1), 35; https://doi.org/10.3390/ecsoc-23-06495 - 14 Nov 2019
Cited by 2 | Viewed by 1176
Abstract
The development of a new generation of electrospun polymeric materials designed to accomplish multi-performance in a bioinspired integrated system represents the main goal of the present research. Polysulfones promise to become such nanosized fibrous structures with attractive properties associated with biomedical applications by [...] Read more.
The development of a new generation of electrospun polymeric materials designed to accomplish multi-performance in a bioinspired integrated system represents the main goal of the present research. Polysulfones promise to become such nanosized fibrous structures with attractive properties associated with biomedical applications by the development of a new “construct”. Therefore, the homogeneous solutions of the functionalized polysulfones with quaternary ammonium groups (PSFQ) dissolved in various solvents were processed by electrospinning to create polymeric scaffolds that can modulate cellular behavior. Additionally, the antibacterial activity of PSFQ fibers against Gram-negative and Gram-positive bacteria has indicated the potential of these scaffolds for biomedical use. Full article
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7 pages, 684 KiB  
Proceeding Paper
Cumulative Effect of the Aqueous and Ethanolic Extracts of Annona Reticulate and Allium Sativumon Brine Shrimp Lethality Assay
by Sandeep Waghulde, Ashwini Bhoir, Jyoti Gholap, Varsha Patil, Mohan K. Kale and Vijay R. Patil
Proceedings 2019, 41(1), 36; https://doi.org/10.3390/ecsoc-23-06698 - 18 Nov 2019
Viewed by 1168
Abstract
The present study was conducted to test for in vivo Brine Shrimp Lethality Assay (BSLA) of the Aqueous and ethanolic extracts Annona reticulate Linn. and Allium sativumand correlate cytotoxicity results with known pharmacological activities of the plants. Cytotoxicity was evaluated in terms [...] Read more.
The present study was conducted to test for in vivo Brine Shrimp Lethality Assay (BSLA) of the Aqueous and ethanolic extracts Annona reticulate Linn. and Allium sativumand correlate cytotoxicity results with known pharmacological activities of the plants. Cytotoxicity was evaluated in terms of LC50 (lethality concentration). Ten nauplii were added into three replicates of each concentration of the plant extract. After 24 h the surviving brine shrimp larvae were counted and LC50 was assessed. Results showed that the presence of alkaloids, tannins, and flavonoids could be accounted for its cytotoxic properties. In the other hand, studies have shown that the leaf extracts of Alcoholic and aqueous extract of Annona reticulata and bulbs of Allium sativum extracts exhibited cumulative activity when they were combined and compared. Thus, the results on the leaf extracts of Alcoholic and aqueous extract of Annona reticulata and bulbs of Allium sativum exhibited increase in activity support its use in traditional medicine. Full article
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5 pages, 316 KiB  
Proceeding Paper
Antioxidant Activity of Biphenolic Compounds Anchored on Mesoporous Alumina
by Vanina A. Guntero, Cristián A. Ferretti, Carla Ormachea, Pedro M. E. Mancini and María N. Kneeteman
Proceedings 2019, 41(1), 37; https://doi.org/10.3390/ecsoc-23-06498 - 14 Nov 2019
Viewed by 996
Abstract
Phenolic antioxidants are used in the industry to delay the oxidation of fats, with the most used being butyl hydroxy anisole (BHA) and butyl hydroxy toluene (BHT). However, the consumer concern regarding their safety has motived the study of natural alternatives. In this [...] Read more.
Phenolic antioxidants are used in the industry to delay the oxidation of fats, with the most used being butyl hydroxy anisole (BHA) and butyl hydroxy toluene (BHT). However, the consumer concern regarding their safety has motived the study of natural alternatives. In this sense, the aim of this work was to evaluate the behavior of 3,3′-dimethoxy-5,5′-di-2-propenyl-1,1′-biphenyl-2,2′-diol and 6,6′-dihidroxi-5,5′-dimethoxy-(1,1′-biphenyl)-3,3′-dicarbaldehyde free and supported on mesoporous alumina. Biphenolic compounds were synthetized by radical coupling and then anchored on alumina by microwave assisted process. The antioxidant activity of these compounds was investigated by phosphomolybdenum method. The results showed that biphenolic compounds anchored on mesoporous alumina have a marked antioxidant activity, better than free antioxidants. Biphenolic compounds supported on alumina display antioxidant properties allowing a new opportunity for the developing in food and cosmetics packaging. Full article
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7 pages, 296 KiB  
Proceeding Paper
Microwave Assisted Three Component Reaction Conditions to Obtain New Thiazolidinones with Different Heterocyclic Skeletons
by Fernando J. Lorenzo, Romina A. Ocampo and Sandra D. Mandolesi
Proceedings 2019, 41(1), 38; https://doi.org/10.3390/ecsoc-23-06474 - 14 Nov 2019
Viewed by 905
Abstract
We present here a new proposal for the “one pot” generation of new 4-thiazolidinones (9ae) through a multicomponent reaction under microwave irradiation conditions, using aromatic and heteroaromatic amines (8ae), absolute ethanol as a “green [...] Read more.
We present here a new proposal for the “one pot” generation of new 4-thiazolidinones (9ae) through a multicomponent reaction under microwave irradiation conditions, using aromatic and heteroaromatic amines (8ae), absolute ethanol as a “green” solvent and modifying the aldehyde group in the glycosidic residue, synthesized from D-mannitol. The study is focused in the variation of the irradiation times and the concentration of thioglycolic acid in order to study the possibility of controlling the structure and/or stereochemistry of the products formed in the reaction. Thiazolidinones 9ad were obtained with a 69–82% The generation of the corresponding reaction products were monitored by TLC and CG-MS, taking reaction aliquots. The conditions reaction proved to be chemoselective depending on the excess of acid and irradiation times. Full article
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4 pages, 366 KiB  
Proceeding Paper
Hydrophilic Isolates of Rye Flour as a Potential Matrix for the Use as a Vehicle of Active Compounds
by Cristián A. Ferretti, Mariana Celman, Pablo Noriega and María N. Kneeteman
Proceedings 2019, 41(1), 39; https://doi.org/10.3390/ecsoc-23-06691 - 17 Nov 2019
Viewed by 829
Abstract
The isolation of water-soluble polysaccharides and proteins solubilized during the treatment of rye flour in an isotonic aqueous medium is described. Protein and polysaccharide assays of the aqueous fractions showed the high extraction performance of these compounds. Then, nanoparticles were synthesized from these [...] Read more.
The isolation of water-soluble polysaccharides and proteins solubilized during the treatment of rye flour in an isotonic aqueous medium is described. Protein and polysaccharide assays of the aqueous fractions showed the high extraction performance of these compounds. Then, nanoparticles were synthesized from these hydrophilic isolates using fluorescein as a model drug and sodium hexapolyphosphate as a cross-linker. The preparation process consisted of dispersion, desolvation, drug incorporation, crosslinking, and separation of nanoparticles. The physicochemical analysis revealed that nanoparticles were successfully synthesized with rye hydrophilic isolates using a desolvation method. These studies demonstrated that rye nanoparticles are a promising candidate as an active compounds vehicle system. Full article
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5 pages, 532 KiB  
Proceeding Paper
Synthesis, Characterization and Evaluation of a Novel BODIPY Derivative as a Colorimetric Chemosensor for Fe3+ Recognition
by Raquel C. R. Gonçalves, Sónia C. S. Pinto, Susana P. G. Costa and M. Manuela M. Raposo
Proceedings 2019, 41(1), 40; https://doi.org/10.3390/ecsoc-23-06625 - 14 Nov 2019
Cited by 4 | Viewed by 799
Abstract
A 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) derivative functionalized with a formyl group at position 2 was synthesized in 57% yield. The compound was characterized by 1H and 13C Nuclear Magnetic Resonance (NMR) spectroscopy and mass spectrometry. The photophysical [...] Read more.
A 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) derivative functionalized with a formyl group at position 2 was synthesized in 57% yield. The compound was characterized by 1H and 13C Nuclear Magnetic Resonance (NMR) spectroscopy and mass spectrometry. The photophysical characterization was carried out by means of absorption and fluorescence spectroscopies in acetonitrile solutions. The BODIPY derivative showed an absorption band at 492 nm and an emission band at 506 nm. A preliminary evaluation of the recognition ability of the BODIPY derivative was investigated in the presence of several cations with environmental and biomedical relevance. A highly selective colorimetric response was obtained for Fe3+. Full article
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9 pages, 321 KiB  
Proceeding Paper
PLS Structure-Insecticidal Activity Relationships of Nitromethylene, Pyrrole- and Dihydropyrrole-Fused Neonicotinoids
by Ana Borota, Luminita Crisan, Alina Bora and Simona Funar-Timofei
Proceedings 2019, 41(1), 41; https://doi.org/10.3390/ecsoc-23-06593 - 14 Nov 2019
Viewed by 877
Abstract
A single Neonicotinoids are considered to be one of the important classes of insecticides used at the present time. In this study the partial least squares (PLS) approach is applied to a series of nitromethylene, pyrrole- and dihydropyrrole-fused neonicotinoids to model their insecticidal [...] Read more.
A single Neonicotinoids are considered to be one of the important classes of insecticides used at the present time. In this study the partial least squares (PLS) approach is applied to a series of nitromethylene, pyrrole- and dihydropyrrole-fused neonicotinoids to model their insecticidal activity (pLC50 values) against the cowpea aphids. The structures were modeled using the MMFF94s force field. A robust PLS model (3PCs, R2X(Cum) = 0.963, R2Y(cum) = 0.870 and Q2(Cum) = 0.796) with predictive power (CCCext = 0.873, r2m = 0.680, Q2F1 = 0.805, Q2F2 = 0.802, Q2F3 = 0.704) is obtained. New insecticides active against the cowpea aphids can be predicted. Full article
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4 pages, 260 KiB  
Proceeding Paper
Green, Microwave-Assisted Synthesis of O-Perbutyrylated-Alkyl-Glycosides
by Emmanuel Pérez-Escalante, Luis Guillermo González-Olivares, Araceli Castañeda-Ovando, Verónica Salazar-Pereda, John F. Trant, Mirandeli Bautista-Ávila and Sergio Alatorre-Santamaría
Proceedings 2019, 41(1), 42; https://doi.org/10.3390/ecsoc-23-06500 - 14 Nov 2019
Viewed by 888
Abstract
Chemical synthesis of carbohydrates is a challenging task. Several protection and deprotection steps of hydroxyl groups are required to ensure regioselective formation of the glycosidic bond. Usually, it is achieved through acylation, where conventional heating is combined with addition of Lewis acids as [...] Read more.
Chemical synthesis of carbohydrates is a challenging task. Several protection and deprotection steps of hydroxyl groups are required to ensure regioselective formation of the glycosidic bond. Usually, it is achieved through acylation, where conventional heating is combined with addition of Lewis acids as catalysts. This traditional approach has two drawbacks; it is time consuming and often catalysts are hazardous to the environment. An alternative route relies on application of microwaves and/or other Lewis acids with less or no toxicity. Such combination would reduce reaction times and offer a benign synthetic strategy to obtain peracylated compounds. The current work describes an efficient and environmentally mild synthesis of peracylated glycosides with potential application in enzymatic preparation of carbohydrates. Model compound O-perbutyrylated-phenyl-galactose was synthesized using imidazole as catalyst in the microwave-assisted process. The acylation protocol was optimized, and the target sugar was obtained at 50% yield after 1 h. In conclusion, the combination of imidazole and microwaves provides an excellent alternative to swiftly synthesize peracylated glycosides in a benign way. Full article
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6 pages, 415 KiB  
Proceeding Paper
Improved Visible-Light Photocatalytic Activity of g-C3N4/CuWO4 Nanocomposite for Degradation of Methylene Blue
by Afsaneh Rashidizadeh, Hossein Ghafuri and Zeynab Rezazadeh
Proceedings 2019, 41(1), 43; https://doi.org/10.3390/ecsoc-23-06597 - 20 Jan 2020
Cited by 4 | Viewed by 1864
Abstract
In recent years, heterogeneous semiconductor photocatalysts have attracted great attention in the arena of environmental remediation and solar energy conversion; because, sunlight energy is a renewable, cheap, and accessible source of energy and also converting solar energy to chemical energy can be declined [...] Read more.
In recent years, heterogeneous semiconductor photocatalysts have attracted great attention in the arena of environmental remediation and solar energy conversion; because, sunlight energy is a renewable, cheap, and accessible source of energy and also converting solar energy to chemical energy can be declined the energy crisis and global warming. Development of visible light heterogeneous photocatalysts with high efficiency and chemical stability is important for catalysis researchers. Among different types of semiconductor material, polymeric graphitic carbon nitride (g-C3N4) with a medium band gap of about 2.7 eV has been widely applied in photodegradation of organic pollutants, water splitting, CO2 reduction, solar cells, energy storage, and organic synthesis. Unfortunately, due to the high rate recombination of photoinduced carriers, the photocatalytic performance of the bare g-C3N4 is still poor. Hence, many strategies including metal doping, noble metal deposition, and coupling with semiconductor composites have been employed to modify g-C3N4. Herein, we report the synthesis of g-C3N4/CuWO4 nanocomposite via a hydrothermal process. The prepared visible-light-driven nanocomposite exhibited an enhanced photocatalytic activity compared with bare g-C3N4 for the degradation of methylene blue (MB) under LED light irradiation. Full article
6 pages, 660 KiB  
Proceeding Paper
ZnS/CuFe2O4: Magnetic Hybrid Nanocomposite to Catalyze the Synthesis of 2,4,5-triaryl-1H-imidazole Derivatives
by Fereshte Hassanzadeh-Afruzi, Shahrzad Bahrami and Ali Maleki
Proceedings 2019, 41(1), 44; https://doi.org/10.3390/ecsoc-23-06654 - 14 Nov 2019
Cited by 4 | Viewed by 1100
Abstract
Integration of nanomaterials is an entirely new method to synthesis efficient catalysts. These compounds provided new characteristics and distinctive application which is not accessible in the single-particle nanostuctures. Although there is little catalytic activity in each component of the hybrid material, their hybrid [...] Read more.
Integration of nanomaterials is an entirely new method to synthesis efficient catalysts. These compounds provided new characteristics and distinctive application which is not accessible in the single-particle nanostuctures. Although there is little catalytic activity in each component of the hybrid material, their hybrid displays much higher activity. Indeed, the presence of intermediate metal and their oxides in the framework of hybrid catalyst caused a synergistic effect, thus facilitate the organic reaction more effectively. The extensive biochemical and pharmacological activities of imidazole-containing compounds have required the development of efficient methods for synthesizing these compounds, which is a significant topic in organic chemistry. The imidazole nucleus function as a main scaffold for constructing of biologically important molecules. The ZnS/CuFe2O4 magnetic hybrid nanocatalyst was synthesized by a simple co precipitation and characterized by conventional analyses successfully. Synthesized nanocomposite was utilized as a magnetic and heterogeneous catalyst for the one-pot synthesis of 2,4,5-triaryl-1H-imidazole derivatives with condensation of various aromatic aldehydes, benzil and ammonium acetate. The presented method shows some advantages such as mild conditions, good yields, and simple separation of products from the reaction mixture and cost-effective catalyst. The experimental data showed ZnS/CuFe2O4 nanocatalyst were easily separated from the reaction mixture using an external magnetic field and use again five times in subsequent reactions without appreciable reduction in catalytic activity. Full article
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10 pages, 678 KiB  
Proceeding Paper
C-28 Esters of Triterpenoid Acids Bearing Tris(hydroxymethyl)aminomethane: Synthesis and Anticancer/Antimicrobial Activity
by Anna Spivak, Darya Nedopekina, Lilya Dzhemileva and Rezeda Khalitova
Proceedings 2019, 41(1), 45; https://doi.org/10.3390/ecsoc-23-06493 - 14 Nov 2019
Viewed by 1102
Abstract
Widespread secondary plant metabolites (betulinic, ursolic, and oleanolic acids) are promising scaffolds for the discovery of new drugs. Among the many semi-synthetic derivatives of lupane triterpenoids known today, the anticancer agent C-28 ester of betulinic acid with tris(hydroxymethyl)aminomethane (NVX-207) has been actively studied. [...] Read more.
Widespread secondary plant metabolites (betulinic, ursolic, and oleanolic acids) are promising scaffolds for the discovery of new drugs. Among the many semi-synthetic derivatives of lupane triterpenoids known today, the anticancer agent C-28 ester of betulinic acid with tris(hydroxymethyl)aminomethane (NVX-207) has been actively studied. This betulinic acid derivative, which has shown significant antitumor activity in vitro and in vivo against various malignant tumors, is a candidate drug. It is known that modification of the structure of the triterpenoid skeleton can lead to significant changes in biological properties. In this regard, we have synthesized C-28 esters of ursolic and oleanolic acids and C20-29 hydrogenated betulinic acid bearing tris(hydroxymethyl)aminomethane (TRIS), and transformed them into guanidinium salts by guanylation of the primary amino group in a branched ester fragment under the action of 1H-pyrazole-1-carboxamidine hydrochloride. The obtained compounds were tested in in vitro experiments on three human cancer cell lines. The presence of the TRIS-fragment in the triterpenoid conjugates markedly enhanced the cytotoxic action as compared to the parent compounds, dihydrobetulinic, ursolic, and oleanolic acids (IC50 values 2.8–7.6 μM for Jurkat cells and 1.1–6.8 μM for U937 cells), while the correlation between the cytotoxic activity and the chemical structure of the triterpenoid skeleton was not observed. Extended biological testing of these triterpenoids by using flow cytometry analysis showed that antitumor activity of compounds is caused by apoptotic processes and induction of cell cycle arrest in the S-phase. New triterpenoids were also tested for their antimicrobial activity against the growth of four bacterial strains (Escherichia coli, Acinetobacter baumannii, Pseudomonas aeruginosa, and Staphylococcus aureus (MRSA)) and two fungal strains (Candida albicans and Cryptococcus neoformans). The TRIS-dihydrobetulinic acid conjugate and its guanidinium derivative did not exhibit antimicrobial properties. The corresponding ursane and oleane-skeleton pentacyclic tritrerpenoids showed good bacteriostatic activity against methicillin-resistant S. aureus (MICs 4 and 32 μg/mL) and excellent antifungal effect against Cryptococcus neoformans and Candida albicans (MICs 4 and 0.25 μg/mL). Full article
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7 pages, 279 KiB  
Proceeding Paper
A New Efficient Route to 2-Alkylsemicarbazides
by Anastasia A. Fesenko, Ludmila A. Trafimova, Maxim O. Zimin, Alexander S. Kuvakin and Anatoly D. Shutalev
Proceedings 2019, 41(1), 46; https://doi.org/10.3390/ecsoc-23-06501 - 14 Nov 2019
Viewed by 952
Abstract
Synthesis of hardly available 2-alkylsemicarbazides and their hydrochlorides from semicarbazide hydrochloride has been developed. This general and efficient protocol is based on preparation of acetone semicarbazone, its N2-alkylation in the presence of sodium hydride, and hydrolysis under mild conditions. Full article
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12 pages, 1063 KiB  
Proceeding Paper
Brine Shrimp Lethality Assay of the Aqueous and Ethanolic Extracts of the Selected Species of Medicinal Plants
by Sandeep Waghulde, Mohan K. Kale and VijayR. Patil
Proceedings 2019, 41(1), 47; https://doi.org/10.3390/ecsoc-23-06703 - 19 Nov 2019
Cited by 10 | Viewed by 11954
Abstract
The present study was conducted to test for in vivo Brine Shrimp Lethality Assay (BSLA) of the Aqueous and ethanolic extracts of Annona reticulata with Allium fistolisum and Brassica oleraceaeand correlate cytotoxicity results with known pharmacological activities of the plants. Cytotoxicity was evaluated [...] Read more.
The present study was conducted to test for in vivo Brine Shrimp Lethality Assay (BSLA) of the Aqueous and ethanolic extracts of Annona reticulata with Allium fistolisum and Brassica oleraceaeand correlate cytotoxicity results with known pharmacological activities of the plants. Cytotoxicity was evaluated in terms of LC50 (lethality concentration). Ten nauplii were added into three replicates of each concentration of the plant extract. After 24 h the surviving brine shrimp larvae were counted and LC50 was assessed. Results showed that the extracts of Annona reticulata with Allium fistolisumand Brassica oleraceaewere potent against the brine shrimp when compared alone with combined extracts. It indicated that bioactive components are present in these plants that could be accounted for its pharmacological effects. Thus, the results support the uses of these plant species in traditional medicine. Full article
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9 pages, 311 KiB  
Proceeding Paper
Vaccines against Drug Abuse: Morphine-Hapten Design and Synthesis
by István Köteles and Sándor Hosztafi
Proceedings 2019, 41(1), 48; https://doi.org/10.3390/ecsoc-23-06473 - 14 Nov 2019
Viewed by 1292
Abstract
Drugs of abuse are small molecules that typically do not induce an antibody response following the administration. To induce antibodies against these kind of molecules, structural changes have to be made to obtain so called “haptens”. The hapten must be coupled to immunogenic [...] Read more.
Drugs of abuse are small molecules that typically do not induce an antibody response following the administration. To induce antibodies against these kind of molecules, structural changes have to be made to obtain so called “haptens”. The hapten must be coupled to immunogenic proteins, called “carriers”. These connected derivatives are typically drug-linker adducts, in which the linker has a terminal functional group (i.e., carboxylic acid or aliphatic amine) that forms a covalent bond with the carrier. The efficacy of these conjugate vaccines depends on several factors including hapten design, coupling strategy, hapten density, carrier protein selection, and vaccine adjuvant. Six nor-normorphine compounds were reacted with ethyl acrylate and ethyl bromoacetate. After the synthesis of the specific esters we hydrolyzed them to receive the N-carboxymethyl- and N-carboxyethyl-normorphine derivatives. The next step was the coupling phase with glycine ethyl ester, but the reactions didn’t work or the work-up process was not accomplishable. As an alternative route the normorphine-compounds were reacted with N-chloroacetyl glycine ethyl ester. These products were hydrolyzed in alkaline media and after the work-up process all of the derivatives contained the free carboxylic group of the glycine sidechain. All of the glycine ester and the glycine carboxylic acid derivatives are under biological tests. Full article
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6 pages, 279 KiB  
Proceeding Paper
Highly Asymmetric Reduction of New Benzofuryl and Benzothiophenyl α-Amino Ketones
by Agnieszka Tafelska-Kaczmarek, Marcin Kwit and Bartosz Stasiak
Proceedings 2019, 41(1), 49; https://doi.org/10.3390/ecsoc-23-06506 - 14 Nov 2019
Viewed by 967
Abstract
Heterocyclic compounds play an important role in medicinal chemistry and occupy a central position in synthetic organic chemistry. Both benzofuran and benzothiophene are considered as very important structures due to their diverse biological and pharmacological profile. Many clinically approved drugs are synthetic and [...] Read more.
Heterocyclic compounds play an important role in medicinal chemistry and occupy a central position in synthetic organic chemistry. Both benzofuran and benzothiophene are considered as very important structures due to their diverse biological and pharmacological profile. Many clinically approved drugs are synthetic and naturally occurring substituted benzofuryl and benzothiophenyl derivatives in conjunction with other heterocycles. Therefore, a new series of α-amino ketone (containing various azole rings) derivatives of benzofuran and benzothiophene are synthesized and subjected to the transfer hydrogenation with formic acid, catalyzed by RhCl[(R,R)-TsDPEN](C5Me5). The corresponding optically active β-amino alcohols are obtained in high yields and excellent enantioselectivities (93%–99%), as determined by chiral HPLC (high-performance liquid chromatography). The absolute configuration of the products is confirmed by means of ECD (electronic circular dichroism) spectroscopy, supported by theoretical calculations. Full article
7 pages, 274 KiB  
Proceeding Paper
Multicomponet Synthesis of Pyrrolo [3,4-a] Carbazole-1,3-Diones
by Ana Bornadiego, Ana G. Neo, Jesús Díaz and Carlos F. Marcos
Proceedings 2019, 41(1), 50; https://doi.org/10.3390/ecsoc-23-06525 - 14 Nov 2019
Viewed by 940
Abstract
Pyrrolocarbazoles are important structural motives present in many natural products and pharmaceuticals. Particularly, pyrrolo [3,4-a] carbazole-1,3-diones have attracted much attention as analogues of bioactive compounds, such as anticancer agent granulatimide. Surprisingly, only a few methods for the synthesis of these compounds [...] Read more.
Pyrrolocarbazoles are important structural motives present in many natural products and pharmaceuticals. Particularly, pyrrolo [3,4-a] carbazole-1,3-diones have attracted much attention as analogues of bioactive compounds, such as anticancer agent granulatimide. Surprisingly, only a few methods for the synthesis of these compounds have been reported in the literature, and they are almost limited to the Diel–Alder cycloaddition of 3-vinylindoles. We have recently developed a multicomponent synthesis of polysubstituted anilines starting from ,-unsaturated carbonyls, isocyanides and dienophiles. Here we report the application of this tandem [4 + 1]–[4 + 2] cycloaddition procedure for the synthesis of 4-amino-5-arylisoindoline-1,3-diones, which are then cyclized by means of a metal catalyzed intramolecular C-N coupling, affording structurally diverse, natural product-like pyrrolo [3,4-a] carbazole-1,3-diones with high yields and selectivities. Full article
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4 pages, 697 KiB  
Proceeding Paper
Adsorption of Rhodamine-B from Aqueous Solution by Activated Carbon from Almond Shell
by Nasim Abdolrahimi and Azadeh Tadjarodi
Proceedings 2019, 41(1), 51; https://doi.org/10.3390/ecsoc-23-06619 - 14 Nov 2019
Cited by 11 | Viewed by 1344
Abstract
The activated carbon was prepared from an almond shell, which is chemically activated by H2SO4. In the present study, the adsorption of rhodamine-B from water by activated carbon has been investigated and compared. The effect of pH value, initial [...] Read more.
The activated carbon was prepared from an almond shell, which is chemically activated by H2SO4. In the present study, the adsorption of rhodamine-B from water by activated carbon has been investigated and compared. The effect of pH value, initial concentration of dissolved and amount of adsorbent on the adsorption of rhodamine-B by the mentioned adsorbents were investigated. Results showed that the adsorption process was highly dependent on pH. Maximum rhodamine-B removal was achieved when the final pH is 11. Maximum rhodamine-B removal efficiencies were obtained by an almond shell (70%). Adsorption test results revealed that rhodamine-B adsorption on the studied adsorbents could be better described by Langmuir isotherm. Full article
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12 pages, 1514 KiB  
Proceeding Paper
Synthesis of Preceramic Organomagnesium Oxanealumoxane Siloxanes
by Galina Shcherbakova and Anastasiya Pokhorenko
Proceedings 2019, 41(1), 52; https://doi.org/10.3390/ecsoc-23-06466 - 14 Nov 2019
Viewed by 783
Abstract
Organomagnesiumoxane alumoxane siloxane oligomers with different Al:Mg and Al:Si molar ratio have been synthesized through ethylacetoacetate alkoxyhydroxyalumoxane oligomers co-condensation with magnesium acetylacetonate and oligoethoxysiloxanes in organic solvents (alcohol, toluene) at a temperature of 70–100 °С within 3–6 h with the following solvent distillation. [...] Read more.
Organomagnesiumoxane alumoxane siloxane oligomers with different Al:Mg and Al:Si molar ratio have been synthesized through ethylacetoacetate alkoxyhydroxyalumoxane oligomers co-condensation with magnesium acetylacetonate and oligoethoxysiloxanes in organic solvents (alcohol, toluene) at a temperature of 70–100 °С within 3–6 h with the following solvent distillation. The physicochemical properties of the synthesized oligomers were studied. It is shown that with a molar ratio of Al:Mg ≈ 2 and Al:Si ≈ 1, oligomers have fiber-forming properties. The process of thermotransformation of organomagnesiumoxane alumoxane siloxanes into ceramic phases is investigated. It is found that pyrolysis results in the formation of multicomponent ceramics based on magnesium, aluminum, and silicon oxides, in particular, ceramics with a composition close to that of cordierite 2MgO·2Al2O3·5SiO2 (Mg2Al4Si5O18) or a mixed composition: magnesium-aluminum spinel and mullite. Therefore, the synthesized organomagnesiumoxane alumoxane siloxanes are preceramic oligomers and can be used as precursors for the preparation of various components (binders, impregnating compositions, fibers, ceramic powders) of high-purity ceramic composites based on magnesium, aluminum and silicon oxides. Full article
8 pages, 386 KiB  
Proceeding Paper
C*-BODIPYs: Exploring a New Strategy to Transfer Chirality towards BODIPY Chiroptics
by Josué Jiménez, Juan Sánchez-Camacho, Florencio Moreno, Antonia R. Agarrabeitia, Teresa Arbeloa, Trevor A. Cabreros, Gilles Muller, Jorge Bañuelos, Beatriz L. Maroto and Santiago de la Moya
Proceedings 2019, 41(1), 53; https://doi.org/10.3390/ecsoc-23-06610 - 20 Jan 2020
Cited by 2 | Viewed by 1591
Abstract
C*-BODIPYs, that is, boron dipyrromethenes (BODIPYs) which have chiral carbons attached directly to the boron center, are introduced for the first time. These novel chiral BODIPYs mean a new strategy for the chiral perturbation of the inherently achiral BODIPY chromophore that is [...] Read more.
C*-BODIPYs, that is, boron dipyrromethenes (BODIPYs) which have chiral carbons attached directly to the boron center, are introduced for the first time. These novel chiral BODIPYs mean a new strategy for the chiral perturbation of the inherently achiral BODIPY chromophore that is directed to enable chiroptical properties. Their preparation is very simple and only implies the complexation of a dipyrrin with an enantiopure dialkylborane having boron bonded to chiral carbons. Full article
9 pages, 620 KiB  
Proceeding Paper
Exploring N-BODIPYs as Privileged Scaffolds to Build Off/On Fluorescent Sensors by PET
by César Ray, Christopher Schad, Edurne Avellanal-Zaballa, Florencio Moreno, Jorge Bañuelos, Beatriz L. Maroto and Santiago de la Moya
Proceedings 2019, 41(1), 54; https://doi.org/10.3390/ecsoc-23-06604 - 14 Nov 2019
Cited by 1 | Viewed by 1029
Abstract
A new N-boron dipyrromethene (N-BODIPY) substituted with a crown ether moiety has been synthesized by reaction of an F-BODIPY with a crown-ether-substituted bis(sulfonamide). The workability of this N-BODIPY as an off/on sensor for cations by modulation of a photoinduced [...] Read more.
A new N-boron dipyrromethene (N-BODIPY) substituted with a crown ether moiety has been synthesized by reaction of an F-BODIPY with a crown-ether-substituted bis(sulfonamide). The workability of this N-BODIPY as an off/on sensor for cations by modulation of a photoinduced electron transfer (PET) is explored. The new N-BODIPY demonstrates the possibilities of functionalization of these still unexplored but promising dyes. Full article
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5 pages, 666 KiB  
Proceeding Paper
Effects of Ethylimidazolium Nitrate and the Aluminum Nitrate Salt Mixtures on Germination of Three Forest Species
by Carlota Ucha, Otilia Reyes, Carmen Trasar-Cepeda, Josefa Salgado and Juan José Parajó
Proceedings 2019, 41(1), 55; https://doi.org/10.3390/ecsoc-23-06519 - 14 Nov 2019
Cited by 2 | Viewed by 819
Abstract
Ionic liquids are synthetic compounds with melting temperatures lower than 100 °C and with high ability of modification of their physical and chemical properties from changes in their chemical structure. Although the number of applications in the last years has been continuously increasing, [...] Read more.
Ionic liquids are synthetic compounds with melting temperatures lower than 100 °C and with high ability of modification of their physical and chemical properties from changes in their chemical structure. Although the number of applications in the last years has been continuously increasing, their effects on the different terrestrial ecosystems have been scarcely studied. In this work, the effects of the ionic liquid ethylammonium nitrate (EAN), the aluminum nitrate salt (Al(NO3)3), and the saturated mixture of both components on the germination of three forest species were studied. Different doses, from 0% to 10% weight, of the three treatments were applied at seeds of three different forest species (Eucalyptus globulus Labill, Pinus radiata D. Don, and Pinus sylvestris L.) and the germination of these seeds was continuously monitored for 35 days. The results showed that the addition of ionic liquid, salt, and mixture provoke the reduction of germination for all the species. Concentrations of 5% and higher incite the total inhibition of the germination of all species for all the treatments, with the EAN treatment being the most harmful. Full article
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4 pages, 424 KiB  
Proceeding Paper
Comparison of the Ionic Conductivity of Pure Imidazolium Nitrate and That Doped with a Lithium Nitrate Salt in Liquid and Gel Forms as Potential Electrolytes
by Pablo Vallet, Juan José Parajó, Félix Sotuela, María Villanueva López, Óscar Cabeza, Luis Miguel Varela and Josefa Salgado
Proceedings 2019, 41(1), 56; https://doi.org/10.3390/ecsoc-23-06520 - 14 Nov 2019
Cited by 1 | Viewed by 1164
Abstract
Current electrolytes for electrochemical energy storage devices are made of solvents, which often present problems of flammability, corrosion and high toxicity. Ionic liquids and mixtures with metal salts are proposed as a good selection for safer electrolytes due to their properties such as, [...] Read more.
Current electrolytes for electrochemical energy storage devices are made of solvents, which often present problems of flammability, corrosion and high toxicity. Ionic liquids and mixtures with metal salts are proposed as a good selection for safer electrolytes due to their properties such as, among others, non-flammability, negligible vapor pressure, high ionic conductivity and wide electrochemical window. In this work, the electrical conductivity of solutions of the ionic liquid 1-ethyl-3-methylimidazolium nitrate ([EIm][NO3]) with lithium nitrate salt in three different concentrations is analyzed for liquid and gel states. The temperature and salt concentration dependences of electrical conductivity are studied for liquid and gel states. As expected, an increase in conductivity with temperature and a decrease with salt concentration were observed, except for the case of gel [EIm][NO3] with a salt concentration of 0.5 m, which shows a small increase in conductivity compared to the pure gel. Comparison of the conductivity of the liquid and gel states shows a significant increase for the gel state at low concentrations of the added salt. Full article
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6 pages, 616 KiB  
Proceeding Paper
Thermophysical Characterization of TFSI Based Ionic Liquid and Lithium Salt Mixtures
by Lois Fernández-Miguez, Pablo Vallet, Lucia Camila Tasende-Rodríguez, Alejandro Doval, Maria Villanueva, Óscar Cabeza, Luis Miguel Varela, Josefa Salgado and Juan José Parajó
Proceedings 2019, 41(1), 57; https://doi.org/10.3390/ecsoc-23-06618 - 14 Nov 2019
Cited by 1 | Viewed by 1563
Abstract
The ionic liquids (ILs) doped with metal salts have become a real alternative as electrolytes for batteries, but the right choice of these compounds for reaching the adequate properties and performance is still a challenge, and strategies are therefore needed for achieving it. [...] Read more.
The ionic liquids (ILs) doped with metal salts have become a real alternative as electrolytes for batteries, but the right choice of these compounds for reaching the adequate properties and performance is still a challenge, and strategies are therefore needed for achieving it. The thermophysical properties of IL 1-butyl-1-methylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide ([bmpyr] [TFSI]) and its mixture with bis-(trifluoromethane)-sulfonimide lithium salt (from 0.1 m to saturation level) were determined in this work. These properties are density (ρ), speed of sound (U), and corresponding derived magnitudes, such as the bulk modulus and the thermal coefficient, as well as electrical conductivity (σ) against temperature. Density shows a linear decreasing dependence with temperature and a clear increase with the addition of salt, whereas the thermal expansion coefficient increases with temperature and salt addition. Speed of sound decreases with both temperature and salt concentration, and the adiabatic compressibility calculated by means of the well-known Laplace equation increases, as expected, with temperature in all the studied cases, although a small variation with concentration was observed. Electrical conductivity increases with temperature following the Vogel–Fulcher–Tammann (VFT) equation and decreases with the addition of salt. Full article
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8 pages, 363 KiB  
Proceeding Paper
Solvent-Controlled Switching of Cycloisomerization to Transposition in the Ag/Cu-Promoted Reaction of Terminal α-Allenols
by Mireia Toledano-Pinedo, Hristo Anatóliev, Teresa Martínez del Campo and Pedro Almendros
Proceedings 2019, 41(1), 58; https://doi.org/10.3390/ecsoc-23-06467 - 14 Nov 2019
Viewed by 1002
Abstract
We report herein a study on the Ag/Cu-catalyzed reactivity of α-allenols. The focus was the development of new methodologies for cyclization and/or transposition of this moiety. By simple solvent switch, the divergent preparation of dihydrofurans and 3-halo-3-alkenals in a controlled manner has been [...] Read more.
We report herein a study on the Ag/Cu-catalyzed reactivity of α-allenols. The focus was the development of new methodologies for cyclization and/or transposition of this moiety. By simple solvent switch, the divergent preparation of dihydrofurans and 3-halo-3-alkenals in a controlled manner has been reached. Full article
5 pages, 350 KiB  
Proceeding Paper
Halloysite Nanotubes Modified by Chitosan as an Efficient and Eco-Friendly Heterogeneous Nanocatalyst for the Synthesis of Heterocyclic Compounds
by Diana Fallah Jelodar, Zoleikha Hajizadeh and Ali Maleki
Proceedings 2019, 41(1), 59; https://doi.org/10.3390/ecsoc-23-06615 - 14 Nov 2019
Cited by 1 | Viewed by 1236
Abstract
In this study, halloysite nanotubes (HNTs) are modified by chitosan as a natural cationic amino polysaccharide. Halloysite nanotubes/chitosan (HNTs/Chit) were characterized by Fourier transform infrared (FT-IR) spectroscopy and energy dispersive X-ray (EDX) analysis. Also, its performance as a heterogeneous catalyst was investigated in [...] Read more.
In this study, halloysite nanotubes (HNTs) are modified by chitosan as a natural cationic amino polysaccharide. Halloysite nanotubes/chitosan (HNTs/Chit) were characterized by Fourier transform infrared (FT-IR) spectroscopy and energy dispersive X-ray (EDX) analysis. Also, its performance as a heterogeneous catalyst was investigated in the synthesis of pyranopyrazole derivatives. Being a reusable and easily recoverable catalyst, eco-friendliness, high efficiency, and mild reaction conditions are some advantages of the present work. Full article
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4 pages, 470 KiB  
Proceeding Paper
Application of a Terephthalate and Pyrazine-Based MOF in Cr Adsorption
by Zahra Rezaee and Faranak Manteghi
Proceedings 2019, 41(1), 60; https://doi.org/10.3390/ecsoc-23-06484 - 14 Nov 2019
Viewed by 868
Abstract
In this study, a terephthalate and pyrazine-based metal–organic framework (MOF) was prepared using the oxygen and nitrogen donor ligands through the hydrothermal method. In the MOF, cobalt and nickel ions were selected as metal nodes which are connected by terephthalate and pyrazine linkers. [...] Read more.
In this study, a terephthalate and pyrazine-based metal–organic framework (MOF) was prepared using the oxygen and nitrogen donor ligands through the hydrothermal method. In the MOF, cobalt and nickel ions were selected as metal nodes which are connected by terephthalate and pyrazine linkers. The as-prepared MOF was utilized as Cr adsorbent in water by an ultrasonic method. The MOF capacity towards chromium ion adsorption was obtained about 96% in 50 ppm initial concentration. In order to characterize and determine the morphology of the title MOF, the FT-IR and XRD methods were applied, while the chromium concentration before and after adsorption was determined by the ICP method. Full article
4 pages, 559 KiB  
Proceeding Paper
Applying Benzene Tetracarboxylic Acid as a Linker in the Synthesis a Porous Ba (II)-Based MOF by Ultrasonic Method
by Targol Rahimi Masale Nezhad and Faranak Manteghi
Proceedings 2019, 41(1), 61; https://doi.org/10.3390/ecsoc-23-06620 - 14 Nov 2019
Viewed by 1133
Abstract
Metal−organic frameworks (MOFs), which are porous materials that are prepared from metal ion/clusters and multidentate organic ligands, have evolved to be next generation utility materials because of their usability in diverse applications. MOFs, as a class of interesting materials, have attracted great attention [...] Read more.
Metal−organic frameworks (MOFs), which are porous materials that are prepared from metal ion/clusters and multidentate organic ligands, have evolved to be next generation utility materials because of their usability in diverse applications. MOFs, as a class of interesting materials, have attracted great attention due to their controllable pore size and elaborately designed pore structure. In the past two decades, MOFs have exhibited versatile potential applications such as gas storage, gas separation, heterocatalysis, sensors, and luminescence. Most research works so far have focused on MOFs based on transition metal ions or rare-earth ions. In this review, a porous Ba (II)-based MOF was synthesized with an ultrasonic method by using benzene-1,2,4,5-tetracaboxylic acid as an organic linker; this was characterized by X-Ray diffraction, Fourier transform infrared spectroscopy and scanning electron microscopy methods. Full article
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9 pages, 443 KiB  
Proceeding Paper
Asymmetric Iodoetherification of Isosorbide-Derived Glycals: A Regio- and Stereoselective Access to a Variety of O-Substituted Isosorbide Derivatives
by Christophe Berini, Aurélie Lavergne, Valérie Molinier, Stéphane Lebrun, Jean-Marie Aubry and Eric Deniau
Proceedings 2019, 41(1), 62; https://doi.org/10.3390/ecsoc-23-06489 - 14 Nov 2019
Viewed by 857
Abstract
Isosorbide is a competitive starting material for various valuable derivatives by functionalization and/or substitution since it is a renewable and carbon neutral material that is produced on an industrial scale from sorbitol. A set of O-alkyl- or O-arylated beta-iodo ethers has [...] Read more.
Isosorbide is a competitive starting material for various valuable derivatives by functionalization and/or substitution since it is a renewable and carbon neutral material that is produced on an industrial scale from sorbitol. A set of O-alkyl- or O-arylated beta-iodo ethers has been synthesized from isosorbide. The key step was the iodoetherification of isosorbide-derived glycals with a variety of oxygenated nucleophiles in the presence of N-iodosuccinimide. trans-Iodo ethers and acetate were obtained in good yields and the removal of iodide affords isosorbide derivatives. The usefulness of this new approach is illustrated by the synthesis of a surfactant having a dimer of isosorbide as hydrophilic group and by the preparation of a structurally unusual bicyclic anhydro carbohydrate. Full article
10 pages, 399 KiB  
Proceeding Paper
Synthesis of 2-Amino-apopinan-3-ol and Applications of Its Derivatives in Asymmetric Reduction of Ketones
by Anna Kmieciak and Marek P. Krzemiński
Proceedings 2019, 41(1), 63; https://doi.org/10.3390/ecsoc-23-06509 - 14 Nov 2019
Viewed by 1089
Abstract
Monoterpenes are optically active compounds which occur in nature. This fact makes them interesting precursors for the synthesis of optically active ligands, which can be applied in various asymmetric reactions. In this work, we present the synthesis of optically pure 2-amino-apopinan-3-ol from (−)-α-pinene. [...] Read more.
Monoterpenes are optically active compounds which occur in nature. This fact makes them interesting precursors for the synthesis of optically active ligands, which can be applied in various asymmetric reactions. In this work, we present the synthesis of optically pure 2-amino-apopinan-3-ol from (−)-α-pinene. The obtained amino alcohol was used as a precursor of oxazaborolidine, which was used as catalyst in the asymmetric reduction of aryl-alkyl ketones with borane. In the second part, we transformed 2-amino-apopinan-3-ol into PHOX ligand in a three-step reaction. The complex of ruthenium precursor with PHOX ligand was used as a catalyst in the asymmetric transfer hydrogenation of aryl-alkyl ketones. Alcohols with enantiomeric excesses of up to 97% were isolated using both reduction methods. Full article
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5 pages, 797 KiB  
Proceeding Paper
Methyl Orange Adsorption by Fe2O3@Co-Al-Layered Double Hydroxide
by Edris Jamshidi and Faranak Manteghi
Proceedings 2019, 41(1), 64; https://doi.org/10.3390/ecsoc-23-06617 - 26 Jan 2020
Cited by 1 | Viewed by 1406
Abstract
A magnetic composite consisting of iron oxide and a cobalt–aluminum-layered double hydroxide, Fe2O3@Co-Al-layered double hydroxide was prepared through linking of Fe2O3 to Co-Al layered double hydroxide (LDH) by sodium acetate. Layered double hydroxides are generally described [...] Read more.
A magnetic composite consisting of iron oxide and a cobalt–aluminum-layered double hydroxide, Fe2O3@Co-Al-layered double hydroxide was prepared through linking of Fe2O3 to Co-Al layered double hydroxide (LDH) by sodium acetate. Layered double hydroxides are generally described as [M2+1–xM3+x(OH)2] [An–x/n·mH2O], where M2+ and M3+ are divalent and trivalent metal cations, respectively, and A is an n-valent interlayer guest anion. The composite was characterized by XRD, FTIR and UV-Vis. spectroscopy methods. Afterwards, the composite was used for methyl-orange adsorption in aqueous solution. The UV–Vis spectrum indicates that the adsorption process was satisfying. In effect, after several washings of the composite, no decrease of the adsorption capacity was observed. Full article
6 pages, 451 KiB  
Proceeding Paper
Synthesis of an Adamantane-Based Tetralactam and Its Association with Dicarboxamides
by Jesus de Maria Perez-Martinez, Fatima Morales, Alberto Martinez-Cuezva, Mateo Alajarin and Jose Berna
Proceedings 2019, 41(1), 65; https://doi.org/10.3390/ecsoc-23-06511 - 14 Nov 2019
Cited by 1 | Viewed by 1065
Abstract
Tetralactam macrocycles are suitable candidates to be employed as synthetic receptors for charged or neutral guests. In the sensing of neutral molecules, nonpolar solvents such as chloroform or dichloromethane are usually employed so the hydrogen-bonded interactions can be established. Thus, one of the [...] Read more.
Tetralactam macrocycles are suitable candidates to be employed as synthetic receptors for charged or neutral guests. In the sensing of neutral molecules, nonpolar solvents such as chloroform or dichloromethane are usually employed so the hydrogen-bonded interactions can be established. Thus, one of the main limitations of the studied macrocycles is their low solubility in those solvents. Herein, we describe the synthesis of an adamantane-based tetralactam macrocycle that is soluble in chlorinated solvents. For this purpose, by following a clipping methodology, we firstly synthesized a kinetically stable pseudorotaxane, constituted by a removable tetraalkylfumaramide thread and the desired macrocycle. A subsequent thermal dethreading straightforwardly yielded the adamantane-based macrocycle. Afterwards, the affinity of this receptor for a series of fumaramide and succinamide guests was studied, calculating the association constants when the corresponding [2]pseudorotaxanes are assembled. Full article
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5 pages, 252 KiB  
Proceeding Paper
Valorization of Plant Extracts by Encapsulation in Lipid Nanosystems for Application as Potential Insecticides
by Ana I. F. Lopes, David M. Pereira, M. Sameiro T. Gonçalves, A. Gil Fortes and Elisabete M. S. Castanheira
Proceedings 2019, 41(1), 66; https://doi.org/10.3390/ecsoc-23-06616 - 14 Nov 2019
Cited by 1 | Viewed by 1125
Abstract
Plants have been used for centuries to treat diseases and are considered an important source of new antimicrobial agents. Plant extracts can be obtained and their composition determined, being widely employed in the pharmaceutical and cosmetic industries. A less explored and potential application [...] Read more.
Plants have been used for centuries to treat diseases and are considered an important source of new antimicrobial agents. Plant extracts can be obtained and their composition determined, being widely employed in the pharmaceutical and cosmetic industries. A less explored and potential application is the use as green insecticides/insect repellents, as an alternative to current pesticides. Despite the desirable properties, many of the isolated components (phytochemicals) present limitations on their use, due to high volatility and easy degradation when exposed to air. Nanoencapsulation techniques arise as promising strategies to allow the preservation and controlled release of plant extracts. In this work, a series of plant materials, Phytolacca americana L., Tagetes patula L., and Ruta graveolens L., were subjected to Soxhlet extraction using various solvents and times of extraction. The extracts obtained were submitted to biological studies, to assess their potential against the insect cell line Sf9. Encapsulation assays in lipid nanosystems were carried out, with encapsulation efficiencies higher than 70%. Full article
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8 pages, 536 KiB  
Proceeding Paper
Synthesis of the 2-tetrazolylmethyl-2,3,4,9-tetrahydro-1H-β-carbolines via Ultrasound-Assisted One-Pot Ugi-azide/Pictet–Spengler Process
by Manuel A. Rentería-Gómez, Luis E. Cárdenas Galindo and Rocío Gámez-Montaño
Proceedings 2019, 41(1), 67; https://doi.org/10.3390/ecsoc-23-06515 - 14 Nov 2019
Viewed by 1001
Abstract
A serie of 2-tetrazolylmethyl-2,3,4,9-tetrahydro-1H-β-carbolines were synthesized via a one pot Ugi-azide/Pictet–Spengler process under mild ultrasound-assisted conditions. The products containing two privileged heterocyclic frameworks: 1,5-disubstituted-1H-tetrazole and tetrahydro-β-carboline, which are present in a variety of bioactive compounds and commercial drugs. Full article
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7 pages, 397 KiB  
Proceeding Paper
Synthesis of Imidazo[1,2-a]pyridine-Chromones via Microwave-Assisted Groebke-Blackburn-Bienaymé Reaction
by Carlos Zarate-Hernández, Unnamatla M. V. Basavanag and Rocío Gámez-Montaño
Proceedings 2019, 41(1), 68; https://doi.org/10.3390/ecsoc-23-06652 - 15 Nov 2019
Cited by 1 | Viewed by 1076
Abstract
A series of imidazo[1,2-a]pyridine-chromones were synthesized by microwave-assisted Groebke–Blackburn–Bienaymé reaction (GBBR) under eco-friendly conditions (20 mol% ammonium chloride catalyst in EtOH). Chromones and imidazo[1,2-a]pyridines are a privileged core of high interest in medicinal chemistry. Full article
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7 pages, 352 KiB  
Proceeding Paper
Synthesis of 3-Tetrazolylmethyl-4H-Chromen-4-Ones Via Ugi-Azide Reaction Catalyzed by ZnO Nanoparticles
by Manuel A. Rentería-Gómez and Rocío Gámez-Montaño
Proceedings 2019, 41(1), 69; https://doi.org/10.3390/ecsoc-23-06517 - 14 Nov 2019
Viewed by 875
Abstract
A serie of novel 3-tetrazolylmethyl-4H-chromen-4-ones were synthesized via Ugi-azide reaction under mild ultrasound-assisted conditions (room temperature, EtOH, 10% mol ZnO nanoparticles). The products containing two privileged heterocyclic frameworks: 1,5- disubstituted-1H-tetrazole and 3-substituted-4H-chromen chromen-4-ones, which are present in [...] Read more.
A serie of novel 3-tetrazolylmethyl-4H-chromen-4-ones were synthesized via Ugi-azide reaction under mild ultrasound-assisted conditions (room temperature, EtOH, 10% mol ZnO nanoparticles). The products containing two privileged heterocyclic frameworks: 1,5- disubstituted-1H-tetrazole and 3-substituted-4H-chromen chromen-4-ones, which are present in a variety of bioactive compounds and commercial drugs Full article
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6 pages, 516 KiB  
Proceeding Paper
Facile Fabrication of DNA Biosensors Based on Oxidized Carbon Black and Graphite Oxide
by Mahsa Moshari, Dipak Koirala and Peter B. Allen
Proceedings 2019, 41(1), 70; https://doi.org/10.3390/ecsoc-23-06612 - 14 Nov 2019
Cited by 1 | Viewed by 1218
Abstract
We investigated electrochemical sensors based on graphite oxide (GrO) and oxidized carbon black (CbO). GrO and CbO were synthesized by the modified Hummers method. Single-stranded DNA (ssDNA) probes were synthesized with a 5′ primary amine for attachment. These ssDNA oligonucleotides were immobilized on [...] Read more.
We investigated electrochemical sensors based on graphite oxide (GrO) and oxidized carbon black (CbO). GrO and CbO were synthesized by the modified Hummers method. Single-stranded DNA (ssDNA) probes were synthesized with a 5′ primary amine for attachment. These ssDNA oligonucleotides were immobilized on GrO and CbO using standard 1-ethyl-3-(3-dimethyl aminopropyl) carbodiimide (EDC) coupling. This formed an amide bond between the DNA-amine and carboxyl groups on GrO and CbO. GrO and CbO were used instead of graphite in a carbon paste material. This significantly enhanced the sensitivity of the biosensor for the reverse-complementary DNA. We detected reverse-complimentary DNA using Electrochemical Impedance Spectroscopy (EIS) and Cyclic Voltammetry (CV) in a ferricyanide solution. The solution was spiked with the ssDNA oligonucleotide with the reverse-complementary sequence of the immobilized probe. The change in current or impedance was measured. We present early work on optimizing the fabrication method for DNA-functionalized carbon electrodes. Working electrodes were fabricated by drop-casting the active material onto a glassy carbon electrode surface. Full article
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6 pages, 231 KiB  
Proceeding Paper
Hybrid Nanoaggregates from Plant-Based Noble Metallic Nanoparticles and Functionalized Macrocyclic Derivatives
by Ana-Alexandra Sorescu, Alexandrina Nuţă, Rodica-Mariana Ion, Ioana-Raluca Şuică-Bunghez and Cristina Lavinia Nistor
Proceedings 2019, 41(1), 71; https://doi.org/10.3390/ecsoc-23-06653 - 16 Nov 2019
Viewed by 899
Abstract
Noble metallic nanoparticles, silver (AgNPs) and gold (AuNPs) mainly, exhibit good antimicrobial, antibacterial, and antifungal properties and, therefore, have a significant contribution to the constant growing field of nanomedicine. They can be synthesized using both conventional or unconventional methods and, in the last [...] Read more.
Noble metallic nanoparticles, silver (AgNPs) and gold (AuNPs) mainly, exhibit good antimicrobial, antibacterial, and antifungal properties and, therefore, have a significant contribution to the constant growing field of nanomedicine. They can be synthesized using both conventional or unconventional methods and, in the last decades especially, the unconventional routes that use plants as raw vegetal materials are studied with proven results. On the other hand, macrocyclic derivatives such as phthalocyanines (Pcs) have photoactive properties and numerous applications. The conjugation between silver and gold nanoparticles with phthalocyanine derivatives considerably increases both the photochemical activity of Pcs as well as the stability of noble metallic nanoparticles. This paper describes recent research in the field of green-synthesized AgNPs and AuNPs from different plants with important pharmacological applications in two different temperature conditions: at room temperature, for 12 h, and at 50 °C for 30 min. AgNPs and AuNPs then react with tetracarboxamido-zinc phthalocyanine ZnPc(CONH2)4 and octacarboxamido–zinc phthalocyanine ZnPc(CONH2)8 to obtain two hybrid nanoaggregates, confirmed by spectroscopic analyses and by determining their antioxidant and antimicrobial activity. Full article
3 pages, 218 KiB  
Proceeding Paper
Aqueous Micellar Systems Formed by Surfactant Ionic Liquids. Application in Diels-Alder Reactions
by Jesica B. Soffietti, Claudia G. Adam and Claudia D. Della Rosa
Proceedings 2019, 41(1), 72; https://doi.org/10.3390/ecsoc-23-06464 - 14 Nov 2019
Cited by 1 | Viewed by 922
Abstract
In the present work, our objective is to take advantage of the property presented by Ionic Liquids (ILs) based on 1-alkyl-3-methylimidazolium cations by having amphiphilic character when the alkyl group is a long hydrocarbon chain. These ILs can act as surfactants forming micelles [...] Read more.
In the present work, our objective is to take advantage of the property presented by Ionic Liquids (ILs) based on 1-alkyl-3-methylimidazolium cations by having amphiphilic character when the alkyl group is a long hydrocarbon chain. These ILs can act as surfactants forming micelles in aqueous solution. In this sense, the micellar effect on a Diels-Alder reaction (DA) was analyzed taken as a reference. The reactive system studied consists of maleic anhydride and isoprene, variables such as diene:dienophile ratio and reaction temperatura among the most important were optimized. N,N-dodecylmethylimidazolium bromide was used at the critical micellar concentration (CMC) of 1 × 10−2 M. These “new systems” microheterogeneous would allow, in addition to better solubilization of non-polar substrates, to adopt milder reaction conditions. Full article
8 pages, 1174 KiB  
Proceeding Paper
Diplodomica I. Chemical Composition of Repugnatorial Secretions of Cuban Endemic Millipede gen. Rhinocricus sp.
by Juan Enrique Tacoronte Morales and María Teresa Cabrera Pedroso
Proceedings 2019, 41(1), 73; https://doi.org/10.3390/ecsoc-23-06522 - 14 Nov 2019
Cited by 2 | Viewed by 922
Abstract
The composition of the repugnatorial secretion of some populations of the Cuban endemic millipede Rhinocricus inhabiting in the western region of the Cuban archipelago has been developed. Several quinonoids metabolites were identified. From some individuals (males), collected in forest and karst regions, 850 [...] Read more.
The composition of the repugnatorial secretion of some populations of the Cuban endemic millipede Rhinocricus inhabiting in the western region of the Cuban archipelago has been developed. Several quinonoids metabolites were identified. From some individuals (males), collected in forest and karst regions, 850 μg of a deep brown-red secretion were obtained, and directly introduced into analytical instrumental (GC-MS and FTIR). The analysis of FTIR and GC-MS spectra shows that major components of secretions are substituted hydroquinones, 1,4-benzoquinones and aldehydes. The biological effects of these defensive secretions were evaluated on pathogenic microorganisms, showing interesting antimicrobial action. The ecological and evolutionary significance of chemical differentiation in millipedes populations require further study. Full article
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5 pages, 256 KiB  
Proceeding Paper
Metal-Doped Copper Indium Disulfide Heterostructure: Environment-Friendly Hole-Transporting Material toward Photovoltaic Application in Organic-Inorganic Perovskite Solar Cell
by Kobra Valadi and Ali Maleki
Proceedings 2019, 41(1), 74; https://doi.org/10.3390/ecsoc-23-06624 - 14 Nov 2019
Viewed by 986
Abstract
In this plan, we use Praseodymium metal-doped copper indium disulfide (Pr-doped CIS) heterostructure as hole-transporting materials (HTMs) in the FTO/TiO2/Perovskite absorber/HTM/ Au device. And photovoltaic performance of these Pr-doped CIS heterostructure was investigated in the fabrication of the organic-inorganic perovskite solar cells (organic-inorganic [...] Read more.
In this plan, we use Praseodymium metal-doped copper indium disulfide (Pr-doped CIS) heterostructure as hole-transporting materials (HTMs) in the FTO/TiO2/Perovskite absorber/HTM/ Au device. And photovoltaic performance of these Pr-doped CIS heterostructure was investigated in the fabrication of the organic-inorganic perovskite solar cells (organic-inorganic PSCs). Full article
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5 pages, 252 KiB  
Proceeding Paper
Ionic Liquid Mediated Ugi/SN2 Cyclization: Synthesis of 1,2,3-Triazole Containing Novel 2,5-Diketopiperazines
by M. V. Basavanag Unnamatla, Marco A. García-Eleno and Erick Cuevas Yáñez
Proceedings 2019, 41(1), 75; https://doi.org/10.3390/ecsoc-23-06657 - 16 Nov 2019
Cited by 1 | Viewed by 1232
Abstract
The Ugi four-component reaction is versatile multicomponent reaction for generation of complex diversity, herein, we developed a novel methodology by using 4-((1-((tetrahydrofuran-2-yl)methyl)-1H-1,2,3-triazol-4-yl)methoxy)benzaldehyde as one of the components in Ugi 4CR that contains 1,2,3-triazole moiety which is a privileged molecule in medicinal chemistry to [...] Read more.
The Ugi four-component reaction is versatile multicomponent reaction for generation of complex diversity, herein, we developed a novel methodology by using 4-((1-((tetrahydrofuran-2-yl)methyl)-1H-1,2,3-triazol-4-yl)methoxy)benzaldehyde as one of the components in Ugi 4CR that contains 1,2,3-triazole moiety which is a privileged molecule in medicinal chemistry to obtain Ugi adducts under room temperature ionic liquids as medium of solvent, then followed SN2 pathway cyclization to get triazole containing 2,5-diketopiperazine derivatives in good yield using basic ionic liquids as a catalyst. Full article
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6 pages, 710 KiB  
Proceeding Paper
Synthesis One Pot of Alkyne-2-Chloroquinoline via a Passerini Reaction
by Sandra C. Ramírez-López and Rocío Gámez-Montaño
Proceedings 2019, 41(1), 76; https://doi.org/10.3390/ecsoc-23-06700 - 18 Nov 2019
Viewed by 846
Abstract
A series of six new alkyne-2-chloroquinolines were synthesized in moderate yields (40%–65%) via the Passerini three-component reaction (P-3CR) under mild green conditions. The P-3CR takes place when a carboxylic acid, an oxo compound (aldehyde or ketone), and an isocyanide react to give α-acyloxy [...] Read more.
A series of six new alkyne-2-chloroquinolines were synthesized in moderate yields (40%–65%) via the Passerini three-component reaction (P-3CR) under mild green conditions. The P-3CR takes place when a carboxylic acid, an oxo compound (aldehyde or ketone), and an isocyanide react to give α-acyloxy carboxamides. Recently it has been reported that small molecules containing alkynes promote interactions with different proteins in cells facilitating the detection or identification of protein targets. Full article
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11 pages, 2217 KiB  
Proceeding Paper
Biological Study of Transition Metal Complexes with Adenine Ligand
by Hamad M. I. Hasan, Aaza I. Yahiya, Safaa S. Hassan and Mabrouk M. Salama
Proceedings 2019, 41(1), 77; https://doi.org/10.3390/ecsoc-23-06601 - 14 Nov 2019
Cited by 1 | Viewed by 1250
Abstract
Adenine complexes were prepared with some of the first series transition metals in a stoichiometric ratio of 1: 2 (Mn+: L), where Mn+ = Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn [...] Read more.
Adenine complexes were prepared with some of the first series transition metals in a stoichiometric ratio of 1: 2 (Mn+: L), where Mn+ = Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, and Cd2+ ions. The Complexes were characterized by the physicochemical and spectroscopic techniques as electric conductivity, metal contents, IR, UV–Visible, and molar conductance techniques. The stoichiometric ratios of the synthesized complexes were confirmed by using molar ratio method. The dissociation constant of adenine ligand was determined spectrophotometrically. Solvent effect on the electronic spectra of the adenine ligand was examined using solvents with different polarities. The biological activity of adenine ligand and its metal complexes were tested in vitro against some selected species of fungi and bacteria. The results showed a satisfactory spectrum against the tested organisms. Full article
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9 pages, 1712 KiB  
Proceeding Paper
Chemical Recycling: Comparative Study about the Depolymerization of PET Waste-Bottles to Obtain Terephthalic Acid
by Samir Cavalcante, Daniel Vieira and Isis Melo
Proceedings 2019, 41(1), 78; https://doi.org/10.3390/ecsoc-23-06650 - 15 Nov 2019
Cited by 4 | Viewed by 1847
Abstract
Currently, the plastic packaging industry in Brazil is the second largest producer in the packaging sector, with approximately 35% of the total packaging produced per year. Out of this total, 572 thousand tons are composed of polyethylene terephthalate plastic bottles (PET). In the [...] Read more.
Currently, the plastic packaging industry in Brazil is the second largest producer in the packaging sector, with approximately 35% of the total packaging produced per year. Out of this total, 572 thousand tons are composed of polyethylene terephthalate plastic bottles (PET). In the ranking of the main materials discarded in the country, plastic occupies the third position and, in most cases, inadequately. Objectifying minimizes the amount of PET packaging improperly discarded and to instigate the industrial interest in the subject, our work pursued a viable path, as clean as possible in the principles of Green Chemistry, to depolymerize it. Obtaining the terephthalic acid as the main product, which is commercially obtained by oil sources and using salts and oxide of zinc as catalyzers in water as solvent, besides using inorganic bases as catalyzers in alcohols as solvent, including glycerol, which is a sub product of Biodiesel Industries. The reactions were made by refluxing (traditional way) and by microwave, where was used the reactor Biotage Initiator Plus. The products were characterized by Fourier Transformed Infrared Spectroscopy (FTIR of Bruker) and Ultra Performance Liquid Chromatography with Mass Spectrometer with Electrospray Ionization (UPLC-ESI/MS), where the results were better while using zinc sulfate as catalyzer in water and potassium hydroxide as catalyzer in pentan-1-ol. Full article
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7 pages, 500 KiB  
Proceeding Paper
Microwave-Assisted Synthesis of Bis-Heterocycles Containing the Imidazo[1,2-a]Pyridine by Groebke-Blackburn-Bienaymé Reaction
by Sandra C. Ramírez-López and Rocío Gámez-Montaño
Proceedings 2019, 41(1), 79; https://doi.org/10.3390/ecsoc-23-06648 - 15 Nov 2019
Viewed by 892
Abstract
A series of six fused bis-heterocycles having imidazo[1,2-a]pyridine bound with quinoline were synthesized by microwave-assisted Groebke-Blackburn-Bienaymé reaction (GBBR) under green catalysis. The GBB products are privileged scaffolds and their synthesis is of great interest in synthetic and medicinal chemistry. Full article
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5 pages, 362 KiB  
Proceeding Paper
Photochromic Azoderivatives for Acetylcholinesterase Inhibition
by Brunella Biscussi, Maria Alejandra Sequeira and Ana Paula Murray
Proceedings 2019, 41(1), 80; https://doi.org/10.3390/ecsoc-23-06518 - 14 Nov 2019
Cited by 1 | Viewed by 824
Abstract
We present microwave-assisted synthesis and in vitro acetylcholinesterase inhibition of di-PRLC4OAzo, a new azoderivative designed on the basis of aza-stilbene active compounds, already reported by the group. From the total series of azoderivatives synthetized, di-PRLC4OAzo showed the powerful in [...] Read more.
We present microwave-assisted synthesis and in vitro acetylcholinesterase inhibition of di-PRLC4OAzo, a new azoderivative designed on the basis of aza-stilbene active compounds, already reported by the group. From the total series of azoderivatives synthetized, di-PRLC4OAzo showed the powerful in vitro enzymatic response for its (E) isomer (IC50: 1.08 µM) by Ellman’s assay, beside a stable photostationary state monitored by UV/Vis absorption spectroscopy, indicating it might be an efficient photo-responsible probe to remote control the activity of the enzyme. Full article
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9 pages, 1737 KiB  
Proceeding Paper
The Sn2 Reaction: A Theoretical-Computational Analysis of a Simple and Very Interesting Mechanism
by Matías Capurso, Rodrigo Gette, Gabriel Radivoy and Viviana Dorn
Proceedings 2019, 41(1), 81; https://doi.org/10.3390/ecsoc-23-06514 - 14 Nov 2019
Cited by 5 | Viewed by 3531
Abstract
Bimolecular nucleophilic substitution (SN2) reaction is one of the most frequently processes chosen as model mechanism to introduce undergraduate chemistry students to computational chemistry methodology. In this work, we performed a computational analysis for the ionic SN2 reaction, where [...] Read more.
Bimolecular nucleophilic substitution (SN2) reaction is one of the most frequently processes chosen as model mechanism to introduce undergraduate chemistry students to computational chemistry methodology. In this work, we performed a computational analysis for the ionic SN2 reaction, where the nucleophile charged (X; X=F, Cl, Br, I) attacks the carbon atom of the substrate (CH3Cl) through a backside pathway, and simultaneously, the leaving group is displaced (Cl). The calculations were performed applying DFT methods with the Gaussian09 program, the B3LYP functional, the 6-31+G* basis set for all atoms except iodine (6-311G*), and the solvents effects (acetonitrile and cyclohexane) were evaluated with the PCM model. We evaluated the potential energy surface (PES) for the mentioned reaction considering the reactants, the formation of an initial complex between the nucleophile and the substrate, the transition state, a final complex where the leaving group is still bound to the substrate and the products. We analyzed the atomic charge (ESP) and the bond distance throughout the process. Gas phase and solvent studies were performed in order to analyze the solvation effects on the reactivity of the different nucleophiles. We observed that increasing solvent polarity, decreases reaction rates. On the other hand, we thought it would be enriching, to carry out a reactivity analysis from the point of view of molecular orbitals. Therefore, we analyzed the MOs HOMO and the MOs LUMO of the different stationary states on PES, both in a vacuum (gas phase) and in acetonitrile as the solvent. Full article
6 pages, 256 KiB  
Proceeding Paper
Beetroot as a Source of Natural Dyes for Ham
by Sandra Dias, David M. Pereira, Elisabete M. S. Castanheira, A. Gil Fortes, Regina Pereira and and M. Sameiro T. Gonçalves
Proceedings 2019, 41(1), 82; https://doi.org/10.3390/ecsoc-23-06626 - 14 Nov 2019
Viewed by 1229
Abstract
Beetroot (Beta vulgaris L.) was subjected to extraction procedures in order to obtain the respective extracts containing the natural dyes and subjected to cytotoxicity assays in AGS cell line. Encapsulation of the extracts in nanosystems based on soybean lecithin and maltodextrin was [...] Read more.
Beetroot (Beta vulgaris L.) was subjected to extraction procedures in order to obtain the respective extracts containing the natural dyes and subjected to cytotoxicity assays in AGS cell line. Encapsulation of the extracts in nanosystems based on soybean lecithin and maltodextrin was performed. Lyophilized extracts before and after encapsulation in maltodextrin were applied in the formulation of leg ham and used in pilot scale of production. The colour of ham samples from the different assays was evaluated visually and by colorimetry. Full article
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5 pages, 288 KiB  
Proceeding Paper
Synthesis of a Novel Porphyrin-Based Metal–Organic Framework (Co-Por MOF)
by Leyla Tayebi, Rahmatollah Rahimi and Mahboubeh Rabbani
Proceedings 2019, 41(1), 83; https://doi.org/10.3390/ecsoc-23-06483 - 14 Nov 2019
Viewed by 1151
Abstract
In this study, a novel porphyrin-based metal–organic framework (Co-Por MOF) was successfully synthesized by a simple one-step solvothermal method. We report a metal–organic framework based on the covalent interaction of an organic linker, 5,10,15,20-tetrakis(4-carboxyphenyl) porphyrin (TCPP) with cobalt clusters. The properties of this [...] Read more.
In this study, a novel porphyrin-based metal–organic framework (Co-Por MOF) was successfully synthesized by a simple one-step solvothermal method. We report a metal–organic framework based on the covalent interaction of an organic linker, 5,10,15,20-tetrakis(4-carboxyphenyl) porphyrin (TCPP) with cobalt clusters. The properties of this material were analyzed by powder X-ray diffraction (XRD), ultraviolet visible adsorption spectroscopy (UV–Vis), Fourier-transform infrared spectroscopy (FTIR), and differential reflectance spectroscopy (DRS). Full article
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6 pages, 1138 KiB  
Proceeding Paper
An Amine/Azine Functionalized MOF as a New Fluorescent Probe for Selective Sensing of Metal Ions
by Yeganeh Davoudabadi Farahani, Zahra Salehi Rozveh, Hossein Shayegan and Vahid Safarifard
Proceedings 2019, 41(1), 84; https://doi.org/10.3390/ecsoc-23-06508 - 14 Nov 2019
Viewed by 1067
Abstract
Metal-organic frameworks are a class of attractive materials for fluorescent sensing. Here, we report the exploration of fluorescent Zn-based amine/azine-functionalized MOF, TMU-17-NH2, ([Zn(NH2-BDC)(4-bpdb)].2DMF; NH2-BDC = amino-1,4-benzenedicarboxylic acid, 4-bpdb = 1,4-bis(4-pyridyl)-2,3-diaza-2,3-butadiene) for highly selective and sensitive detection of [...] Read more.
Metal-organic frameworks are a class of attractive materials for fluorescent sensing. Here, we report the exploration of fluorescent Zn-based amine/azine-functionalized MOF, TMU-17-NH2, ([Zn(NH2-BDC)(4-bpdb)].2DMF; NH2-BDC = amino-1,4-benzenedicarboxylic acid, 4-bpdb = 1,4-bis(4-pyridyl)-2,3-diaza-2,3-butadiene) for highly selective and sensitive detection of Fe3+ in DMF (N,N-dimethylformamide) solution. TMU-17-NH2 shows fast recognition of Fe3+ ions with a response time of <1 min and detection limit of 0.7 µM (40 ppb), and the luminescence is completely quenched in 103 M DMF solution of Fe3+. Furthermore, no interferences from 250 μM As3+, Cd2+, Zn2+, Co3+, Ni2+, Cu2+, Pb2+, Mn2+ and Al3+ were found for the detection of Fe3+, which suggests that functionalized TMU-17-NH2 is a promising luminescent probe for selectively sensing iron ions. Full article
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12 pages, 355 KiB  
Proceeding Paper
Bioactive Sesquiterpene Obtained from Schinus areira L. (Anacardiaceae) Essential Oil
by Silvana Rodriguez, Rosa Ana Sueiro, Ana Paula Murray and José Manuel Leiro
Proceedings 2019, 41(1), 85; https://doi.org/10.3390/ecsoc-23-06649 - 15 Nov 2019
Cited by 1 | Viewed by 1048
Abstract
The essential oils (EOs) from the leaves of Schinus areira and one of its components, globulol, were studied for their antioxidant, antimutagenic and antipromutagenic activities. The chemical composition of the EOs obtained using hydrodistillation was determined using gas chromatography-mass spectrometry (GC-MS), and fractionated [...] Read more.
The essential oils (EOs) from the leaves of Schinus areira and one of its components, globulol, were studied for their antioxidant, antimutagenic and antipromutagenic activities. The chemical composition of the EOs obtained using hydrodistillation was determined using gas chromatography-mass spectrometry (GC-MS), and fractionated using reversed phase high performance liquid chromatography (RP-HPLC). The active compound (16.61%) isolated was identified by comparison of its 1H and 13C NMR spectroscopy with those reported in the literature. The antioxidant activity of the EOs and globulol were determined using two methods: crocin bleaching inhibition (Trolox Equivalent Value, TEV Krel = 1.16 ± 0.11 vs. 1.24 ± 0.22) and scavenging of the DPPH radical (IC50 = 38.75 ± 2.5 μg/mL vs. 5.60 ± 0.9 μg/mL). The antimutagenic and antipromutagenic activities were evaluated in vitro and ex vivo, using the Ames assay with five strains of Salmonella typhimurium with and without exogenous metabolic activation (rat liver fraction S9), against different mutagens. The result determined that globulol and EOs of S. areira at the applied doses do not exhibit any mutagenic effect and showed the highest antioxidant activity. Full article
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