Structure revision of asperjinone using computer-assisted structure elucidation methods.

Stress Analysis of the Human Ligamentous Lumber Spine-From Computer-Assisted Tomography to Finite Element Analysis

Detailed investigation on biomechanics of a complex structure such as the human lumbar spine requires the use of advanced computer-based technique for both the geometrical reconstruction and the stress analysis. In the present study, the computer-assisted tomography (CAT) and finite element method (FEM) are merged to perform detailed three dimensional nonlinear analysis of the human ligamentous...

Structure elucidation and chemistry of novel diterpenoids from Euphorbia plants of Iran

Plants of the genus Euphorbia have been investigated for different bioactive natural products. I have isolated several new and bioactive diterpenoids from different species of Euphorbia of Iran with myrsinane type skeleton. The structure of the compounds was determined using high resolution mass spectroscopy, 1 D and 2 D NMR spectral data. The stereochemistry of the diterpenoids was determined ...

Review of “Contemporary computer-assisted approaches to molecular structure elucidation (new developments in NMR)” by Mikhail E Elyashberg, Antony Williams and Kirill Blinov

Book details Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation (New Developments in NMR) by Mikhail E Elyashberg, Antony Williams and Kirill Blinov. Edited by William Price. RSC Publishing, 2012. ISBN: 978-1-84973-432-5; eISBN: 978-1-84973457-8. Computer-assisted structure elucidation (CASE) aims to provide users in chemistry, molecular biology, or other areas dealing...

Thermodynamic Properties of Asphaltenes: a Predictive Approach Based on Computer Assisted Structure Elucidation and Atomistic Simulations

Isolation and Structure Elucidation of Secondary Metabolites from Echinophora platyloba DC from Iran

Background: Echinophora platyloba DC (Apiaceae) is one of the two endemic species of Echinophora genus in Iran. It has many folkloric uses and several biological activities but there is no information about its phytoconstituents. Objective: In this work some of the secondary metabolites were isolated, purified and identified from n-hexane, ethyl acetate and methanol extracts from the aerial pa...