The 17th International Electronic Conference on Synthetic Organic Chemistry
Part of the Electronic Conference on Synthetic Organic Chemistry series
1–30 Nov 2013
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Call for Papers
The 17th International Electronic Conference on Synthetic Organic Chemistry (ECSOC-17) will run from 1 - 30 November 2013. ECSOC-17 Proceedings will be published later online and as a CD-ROM edition. Posters presented at ECSOC-17 may be considered as preliminary communications of new research results or review papers and may be published in another form later in any standard journal. At the authors discretion, contributions will be removed from the web-site after the end of the conference and not included in the online and CD-ROM proceedings editions. Authors are invited to publish their papers subsequently in Molecules.
Conference Chairs
julioa.seijas@usc.es
cuculovic@mdpi.com
Instructions for Authors
Authors are encouraged to preare a couple of slides in PowerPoint or similar software, to be displayed online along with the Communication. Slides, if available, will be displayed directly in the website using Sciforum.net's proprietary slides viewer. Slides can be prepared in exactly the same way as for any traditional conference where research results can be presented. Slides should be converted to the PDF format before submission so that our process can easily and automatically convert them for online displaying.
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List of accepted submissions (120)
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sciforum-000005 | Computational Model for Multiplex Assay of Drug Immunotoxicity in Macrophage - Study of the Anti-Microbial G1 using Flow Cytometry | , , | N/A |
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The development of in vitro cytotoxicity assays has been driven by the need to rapidly evaluation of potential toxicity of large numbers of compounds, to reduce animal experimentation, and to save time and material resources. The large number of experimental results reported by different groups worldwide has lead to the accumulation of huge amounts of ontology-like data in large public databases as in ChEMBL. Conversely, many drugs have been assayed only for some selected tests. In this context, High-throughput multi-target Quantitative Structure-Activity (High-throughput mt-QSAR) techniques may become an important tool to rationalize drug discovery process. In this work, we train and validate by the first time mt-QSAR model using TOPS-MODE approach to calculate drug molecular descriptors and the software STATISTICA to seek a Linear Discriminant Analysis (LDA) function. This model correctly classifies 8,258 out of 9,000 (Accuracy = 91.76%) multiplexing assay endpoints of 7903 drugs (including both train and validation series). Each endpoint correspond to one out of 1418 assays, 36 molecular and cellular targets, 46 standard type measures, in two possible organisms (human and mouse). After that, we determined experimentally, by the first time, the values of EC50 = 21.58 μg/mL and Cytotoxicity = 23.6 % for the anti-microbial / anti-parasite drug G1 over Balb/C mouse peritoneal macrophages using flow cytometry. In addition, the model predicts for G1 only 7 positive endpoints out 1,251 cytotoxicity assays (0.56% of probability of cytotoxicity in multiple assays). Both experimental and theoretical results point to a low macrophage cytotoxicity of G1. The results obtained are very important because they complement the toxicological studies of this important drug. This work opens a new door for the "in silico" multiplexing screening of large libraries of compounds. | |||||||||||||||||||||||||||||||||||||||||
sciforum-000014 | Synthesis and Reactions of New Tellurium-Substituted Terpenyl Compounds | , , |
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In recent years, chalcogenides were widely used as efficient reagents and catalysts to create new carbon-oxygen, carbon-nitrogen and carbon-carbon bonds. Our previous research was focused on developing effective methods for the synthesis of new optically active organosulfur and organoselenium compounds derived from monoterpenes. Satisfying results prompted us to synthesize tellurium analogues. We have developed new methodologies for the synthesis of terpene ditellurides, tellurides, methyl terpenyl tellurides, and phenyl terpenyl tellurides from p-menthane, carane and pinane systems. The synthesis was based on the reaction of sodium telluride, sodium ditelluride, sodium benzenetellurolate, and sodium methanetellurolate with terpene tosylates, chlorides and epoxides. Additionally, terpene tellurides were converted in situ to telluronium ylides, and were used as reagents in asymmetric epoxydation. The best selectivity of epoxidation reaction was achieved for dicaranyl telluride. | |||||||||||||||||||||||||||||||||||||||||
sciforum-000026 | Antioxidant Activity and Total Phenolics of Plants Used in Traditional Medicine in Ecuador | , , , , , | N/A |
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Medicinal plants are organisms that are naturally endowed with chemical compounds (secondary metabolites) with properties of high therapeutic value, yielding advances in the development of synthetic drugs with physiological action beneficial to humans (ref). The use of these plants has an ancient origin in different cultures around the world and their preparation is basically in the form of extracts and teas. Medicinal plants that have a significant amount of phenolic compounds are of great interest since these compounds are attributed various activities; the most relevant is antioxidant activity, which is important in countering oxidative stress (Huie, 2002). Oxidative stress arises mainly as consecuence of the overproduction of free radicals due to inbalance in production of antioxidants by the cells (Emilien et al, 2000). Natural products especially from plant sources have the ability to reduce oxidative stress by acting as antioxidant (Irshad et al, 2012), therefore, in this work we determined the total content of phenolic compounds and antioxidant activity was evaluated of six plants used in traditional medicine for Ecuadorian indigenous ethnicities. The species collected in this study were: Potalia amara, Salvia corrugata Vahl, Ilex guayusa Loes, Scoparia dulcis, Monnina sp and Alternanthera porrigens. | |||||||||||||||||||||||||||||||||||||||||
sciforum-000030 | Formation of a Flavin-Linked Cysteine | , , , , , | N/A |
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The deposition of Amyloid beta peptides (Aβ) in the formation of amyloid fibrils is believed to be causally linked to Alzheimer's disease. A short Aβ fragment (KLVFF; Aβ16-20) can bind full-length Aβ. The Aβ recognition peptide including KLVFF was attached with hydrophilic groups, and then the product altered the Aβ aggregation pathways and inhibited Aβ toxicity (Tjernberg, L. O. et al. J. Biol. Chem. 1996, 271, 8545-8548. ). Since flavins is widely known as biological oxidation reagents, the flavin-linked KLVFF is likely to directly hydroxylate aggregated Aβ fibrils and then disrupt the aggregated Aβ fibril. 2-Aminoethanethiol derivatives, such as cysteine, is reacted with aldehydes, and five-membered heterocyclic ring is formed via formation of imine. Since formylmethylflavin (FMF) contains aldehyde group, FMF is likely to bind cysteine. Then, the peptides containing Aβ recognition region and cysteine, such as CKLVFF, also can be attached with FMF to form the flavin-linked KLVFF. The preliminary experiment of this reaction, the reaction between FMF and cysteine, was investigated. FMF (2.84 mg, 10 μmol) was suspended in phosphate buffer (pH 7, 10 ml), and cysteine (2.42 mg, 20 μmol) was added. The suspension was stirred at 65ºC for 1h. As a result, FMF was completely reacted, and flavin-linked cystein were detected using HPLC and ESI-MS. | |||||||||||||||||||||||||||||||||||||||||
sciforum-000047 | Microwave Assisted Transesterification of β-Cyclodextrin | N/A |
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From several decades microwave assisted synthesis is known to speed up many reactions and processes. Better yield, shortening in the reaction time and easy set-up are also the one of the most important factors on this case. In opposite there is also a lot of processes known in which enzymes or whole microorganisms are inactivated by action of electromagnetic field with microwave frequencies. In some cases however it was shown that microwaves may also activate the enzymatic transformations influencing enzyme/reagent fitting or protein conformation. The phenomenon has also been observed in case of some carbohydrates. According to that in presented study enzymatic transesterification of β-cyclodextrin using vinyl esters of long chain carboxylic acids has been presented. All the reactions were performed at microwaves and in conventional conditions. Lipase from porcine pancreas was used as a biocatalyst. Reactions were carried out in DMSO or DMF as solvents using fatty acids vinyl esters as acyl donors (vinyl stearate and and vinyl laurate respectively). After the reaction the products were precipitated from the solution in several stages. Products were analyzed according to overall yield and degree of substitution. The structure of the obtained esters was investigated by means of FTIR spectroscopy. As a result the conclusion may be drowning out that microwaves induced processes by means of better yield and higher degree of substitution. The shortening in the reaction time was also observed and process looks promising as an alternative way for introducing acyl donors into carbohydrate molecules howevere further, detailed study on the transesterification should be done. The Polish State Committee supported the research for Scientific Research Grant No. N312 331240 |
List of Authors (298)
Proceedings & Editors
Conference Organizers
Chairman
Dr. Julio A. Seijas Vázquez
Departamento de Química Orgánica, Universidad de Santiago de Compostela, Facultad de Ciencias-Campus de Lugo, Alfonso X el Sabio, 27002-Lugo, Spain.
Tel. +34 982 285 900; Fax +34 982 285 872
E-mail: julioa.seijas@usc.es
Website: http://web.lugo.usc.es/~qoseijas/
Secretaries
Dr. Shu-Kun Lin
MDPI, Kandererstrasse 25, CH-4057 Basel, Switzerland.
Tel. +41 79 322 3379; Fax +41 61 302 8918
E-mail: lin@mdpi.org
Website: https://www.mdpi.org/lin/
Dr. M. Pilar Vázquez Tato
Universidad de Santiago de Compostela, Facultad de Ciencias-Campus de Lugo, Spain.
pilar.vazquez.tato@usc.es
Scientific Committee
President: Dr. Julio A. Seijas. Univ. Santiago de Compostela. Spain
Secretary: Dr. M. Pilar Vázquez-Tato. Universidade de Santiago de Compostela. Spain
Board of Members:
Dr. David Black. Univ. New South Wales. Sydney. Australia
Dr. Oscar Cabeza Gras. Universidade da Coruña. Spain
Dr. Bruce K. Cassels. Universidad de Chile. Chile
Dr. Manik Ghosh. Birla Institute of technology. India
Dr. Thanasis Gimisis. National and Kapodistrian University of Athens. Greece
Dr. James W. Herndon. New Mexico State University. USA
Dr. Jesús Jiménez Barbero. Spanish Royal Society of Chemistry (RSEQ). Spain.
Dr. M. A. Kuznetsov, Saint-Petersburg State University. Russia
Dr. Elena Stanoeva. University of Sofia. Bulgaria
Dr. Montserrat Martínez Cebeira. Univ. da Coruña. Spain.
Dr. Javier Martínez Rodríguez. Univ. Santiago de Compostela. Spain
Dr. Bellara Nedjar-Kolli . Univ. Sciences and Technology, Algeria
Dr. Claudio Santi. Università di Perugia. Italy.
Dr. Artur M. S. Silva. University of Aveiro, Portugal
Dr. Margarita Suarez Navarro. Universidad de La Habana. Cuba
Dr. Thies Thiemann. United Arab Emirates Univ. United Arab Emirates.
Dr. Valerie Thiery. University of La Rochelle, France
Dr. Emilia Tojo. Universidade de Vigo. Spain
Dr .Jean Jacques Vanden Eynde. Univ. Mons. Belgium.
Dr. Richard G. Weiss. Georgetown Univesity, USA
Dr. Walter M. F. Fabian. Karl-Franzens Universität Graz . Austria
Dr. Xesús Feás Sánchez. Univ. Santiago de Compostela. Spain.
A. General Organic Synthesis
B. Bioorganic, Medicinal and Natural Products
B. Bioorganic, Medicinal and Natural Products
Covers papers where the molecules synthesized are of biological or medicinal interest, together with those which are natural products either they are isolated or synthesized.
C. Microwave Assisted Synthesis
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D. Polymer and Supramolecular Chemistry
E. Computational Chemistry
F. Ionic Liquids
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