The methamphetamine has been studied theoretically at the MP2 [1]/6-31G[2] level in gas phase.Methamphetamine has been investigated Via NMR, Frequencies Calculation and NBO analysis. Thestructure of methamphetamine was designed primarily using of Chem. Bio Draw and it geometry hasbeen optimized at the MP2/6-31G computational level. The present work consists the study of themethamphetamine repor...

This article addresses the problem of the computation of instantaneous firing speed in Invariant Behavior state (IB-state) of Constant speed Continuous Petri Net (CCPN) with presence of actual conflicts. The adopted approach is based on polyhedral computations applied to specify an area of possible instantaneous firing speed. If the actual conflicts are resolved by global priorities, the instan...

Even though there were actually a number of established scientists in attendance, the meeting seemed to be geared toward graduate students and postdocs. Many of the presentations focused on giving advice about and descriptions of the process of structural determination. There was little actual discussion of either algorithms or biology, but many of the opinions were quite thought provoking and ...

Phytochemical examination of corncob extracts led to the isolation of a new lignan identified as 7,7'-dihydroxy-3'-O-demethyl-4-methoxymatairesinol, together with seven known compounds, identified as β-sitosterol, β-sitosteryl-β-D-glucoside, 6β-hydroxy-campest-4-en-3-one, 5α,8α-epidioxyergosta-6,22-dien-3β-ol, tricin, kaempferol and p-coumaric acid. The isolated compounds were identified by one...

The Dopamine has been studied theoretically at the B3LYP/6-31G* level were performed in gasphase. We calculated physical parameters like atomic charges, energy (=>), asymmetry parameter(?), chemical shift @iso, dipole moment and isotropic NMR determinant and in this work we usedGaussian 03 at NMR and calculation by using B3LYP methods with 6-31G* basis set.

In this research, the Magnetite nanoparticles (Fe304) were prepared by coprecipitation of Fe- andGinger is a well known spice and flavoring agent which has also been used in traditional medicine inmany countries. Ginger contains essential oils including gingerol and zingiberene. It also containspungent principles such as zingerone, and shogaol. In the paper six theoretical methods were used toc...

Magnesium oxide nanotubes of finite length are investigated by the Density Functional Theory (DFT) at the B3LYP/6-31G (d) level. The (6, 0) zigzag and (4, 4) armchair of MgO nanotubes were considered and nuclear magnetic resonance properties including isotropic and anisotropic chemical shielding parameters (CSI and CSA) were calculated for 25Mg and 17O atoms of the optimiz...

The worldwide heparin contamination crisis in 2008 led health authorities to take fundamental steps to better control heparin manufacture, including implementing appropriate analytical and bio-analytical methods to ensure production and release of high quality heparin sodium product. Consequently, there is an increased interest in the identification and structural elucidation of unusually modif...