Welcome from the Chairs

Welcome to The 13th International Electronic Conference on Synthetic Organic Chemistry

Call for Papers

This will be the 13th meeting of ECSOC since 1997. All accepted presentations will be posted on this website during 1 - 30 November 2009. Discussions will be possible by using online commenting and reply functions. ECSOC-13 Proceedings will be published later online and as a CD-ROM edition (ISBN: 3-906980-23-5). Posters presented at ECSOC-13 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

Muriel Mueller

[Not defined]

June Cao

MDPI AG

Dietrich Rordorf

MDPI AG

Julio A. Seijas

Universidad de Santiago de Compostela

Yolanda Ughini

[Not defined]

Sánchez Seibert

[Not defined]

Sessions

A. General Organic Synthesis
B. Solid Phase Chemistry and Combinatorial Synthesis
C. Bioorganic Chemistry and Natural Products
D. Symposium on Selenium and Tellurium Chemistry
E. Symposium on Microwave Assisted Synthesis
F. Polymer and Supramolecular Chemistry
G. Computational Chemistry
H. Help for Participants

Instructions for Authors

Proceedings Paper

Communications for the proceedings issue must have the following organization:

Firstpage:

Title

Full author names

Affiliations and authors' e-mail addresses

Abstract

Keywords

Introduction

Results and Discussion

Experimental Procedure

(Acknowledgements)

References

Communications should be prepared in MS Word. The publication format will be PDF.

Presentation Slides
Authors are encouraged to preare a couple of slides in PowerPoint or similar software, to be displayed online along with the Communication. 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 PDF format before submission.

Submission
Submissions should be done by the authors online by registering with www.sciforum.net, and using the "New Submission" function once logged into system.

Copyright
MDPI AG, the publisher of the Sciforum.net platform, is an open access publisher. We believe that authors should retain the copyright to their scholarly works. Hence, by submitting a Communication paper to this conference, you retain the copyright of your paper, but you grant MDPI AG the non-exclusive right to publish this paper online on the Sciforum.net platform. This means you can easily submit your paper to any scientific journal at a later stage and transfer the copyright to its publisher (if required by that publisher).

List of accepted submissions (116)

Id	Title	Authors	Poster PDF
sciforum-000492	A photolabile amino acid building block based on a new fluorescent functionalised coumarin-6-yl-alanine Susana Costa , M. Sameiro Gonçalves , Andrea Fonseca Submitted: 29 Oct 2009 Abstract: Show Abstract	Susana Costa , M. Sameiro Gonçalves , Andrea Fonseca	N/A	Show Abstract
A new fluorescent functionalized amino acid, 4-chloromethylcoumarin-6-yl-alanine, was used in the synthesis of an amino acid conjugate by coupling with a model N-protected alanine, through an ester linkage. The photophysical properties of the fluorescent conjugate are presented, as well as its behaviour towards photocleavage by irradiation in methanol/HEPES buffer (80:20) solution, in a photochemical reactor at different wavelengths (254, 300, 350 and 419 nm), followed by HPLC/UV and 1H NMR monitoring.
sciforum-000503	4-(Hydroxymethyl)-6-methoxy-2-oxo-2H-benzo[h]benzopyran-ß-alanine conjugate: synthesis and photocleavage M. Sameiro Gonçalves , Susana Costa , Ana Soares Submitted: 29 Oct 2009 Abstract: Show Abstract	M. Sameiro Gonçalves , Susana Costa , Ana Soares	N/A	Show Abstract
The novel functionalised oxygen heterocycle 4-(hydroxymethyl)-6-methoxy-2-oxo-2H-benzo[h]benzopyran was synthesised and used in the preparation of a fluorescent ß-alanine conjugate. In order to evaluate its photosensitivity, photocleavage reaction in methanol/HEPES buffer (80:20) solution at different wavelengths of irradiation (250, 300 and 350 nm) was carried out and photocleavage kinetic data were obtained.
sciforum-000536	*Multi-Target Spectral Moment: QSAR for antiviral drugs vs.* different viral species** Humberto González-Díaz , Lazaro Peréz-Montoto , Eugenio Uriarte , Fernanda Borges , Francisco Prado-Prado Submitted: 29 Oct 2009 Abstract: Show Abstract	Humberto González-Díaz , Lazaro Peréz-Montoto , Eugenio Uriarte , Fernanda Borges , Francisco Prado-Prado	N/A	Show Abstract
test abstract
sciforum-000548	Applications of Bond-Based 3D-Chiral Quadratic Indices in QSAR Studies Related to Central Chirality Codification Juan Castillo-Garit , Yovani Marrero-Ponce , Francisco Torrens , Ramon García-Domenech , J. Enrique Rodríguez-Borges Submitted: 29 Oct 2009 Abstract: Show Abstract	Juan Castillo-Garit , Yovani Marrero-Ponce , Francisco Torrens , Ramon García-Domenech , J. Enrique Rodríguez-Borges	N/A	Show Abstract
The concept of bond-based quadratic indices is generalized to codify chemical structure information for chiral drugs, making use of a trigonometric 3D-chirality correction factor. In order to evaluate the effectiveness of this novel approach in drug design, we have modeled several well-known data sets. In particularly, Cramer's steroid data set has become a benchmark for the assessment of novel QSAR methods. This data set has been used by several researchers using 3D-QSAR approaches. Therefore, it is selected by us for the shake of comparability. In addition, to evaluate the effectiveness of this novel approach in drug design, we model the angiotensin-converting enzyme inhibitory activity of perindoprilate's σ-stereoisomers combinatorial library, as well as codify information related to a pharmacological property, highly dependent on the molecular symmetry, of a set of seven pairs of chiral N-alkylated 3-(3-hydroxyphenyl)-piperidines, which bind σ-receptors. The validation of this method is achieved by comparison with earlier publications applied to the same data sets. The non-stochastic and stochastic bond-based 3D-chiral quadratic indices appear to provide a rather interesting alternative to other more common 3D-QSAR descriptors.
sciforum-000582	Atom-Based Quadratic Indices to Predict Aquatic Toxicity of Benzene Derivatives to Tetrahymena pyriformis Juan Castillo-Garit , Jeanette Escobar , Yovani Marrero-Ponce , Francisco Torrens Submitted: 29 Oct 2009 Abstract: Show Abstract	Juan Castillo-Garit , Jeanette Escobar , Yovani Marrero-Ponce , Francisco Torrens	N/A	Show Abstract
The non-stochastic and stochastic atom-based quadratic indices are applied to develop quantitative structure-activity relationship (QSAR) models for the prediction of aquatic toxicity. The used dataset, consisting of 392 benzene derivatives for which toxicity data to the ciliate Tetrahymena pyriformis were available, is divided into training and test sets. The obtained multiple linear regression models are statistically significant (R2 = 0.787 and s = 0.347, R2 = 0.806 and s = 0.329, for non-stochastic and stochastic quadratic indices, respectively) and show rather good stability in a cross-validation experiment (q2 = 0.769 and scv = 0.357, q2 = 0.791 and scv = 0.337, correspondingly). In addition, a validation through an external test set is performed, which yields significant values of R2 pred of 0.745 and 0.742. The comparison with other approaches exposes a good behavior of our method of predicting the aquatic toxicity of benzenes. The obtained results suggest that, the non-stochastic and stochastic quadratic indices seem to provide an interesting alternative to costly and timeconsuming experiments for determining toxicity.