'Gibbs free' presentation slideshows

Chapter 7 Chemical Equilibrium

1.48k views • 75 slides

Enzymtechnologie und Biokatalyse

915 views • 57 slides

Introduction of computational thermodynamics (CTD)

Introduction of computational thermodynamics (CTD). 477415S Thermodynamic and process modelling in process metallurgy and mineral processing. Goals of this lecture. To give a brief theoretical background for the course of computational thermodynamics What is computational thermodynamics, CTD?

312 views • 30 slides

Predicting Spontaneous Reactions

Predicting Spontaneous Reactions. 2e - + 2H + (1 M ) H 2 (1 atm ). Standard Electrode Potentials. Standard reduction potential (E 0 ) is the voltage associated with a reduction reaction at an electrode when all solutes are 1 M and all gases are at 1 atm. Reduction Reaction.

497 views • 29 slides

Theoretical investigation of Glucuronide-Taxol conjugates as a useful delivery system for Taxol anti cancer agent

The physicochemical properties of three new glucuronide paclitaxel prodrugs have been evaluated using Hartree fock (HF) and Density Functional Theory (DFT) calculations. Linked to the 2'-OH of the drug by a carbonate function, they include a self-immolative spacer bearing an arylnitro or arylamino group between the drug and the glucuronic acid residue. Our investigation include: geometrical parameters of glucuronide-paclitaxel conjugates, Gibbs free energy of solvation (∆Gsolvation), binding energy and Dipole Moment (DM) of prodrugs, beside some properties such as partition coefficient, polarizibility, hydration energy and etc. Our results indicate that the glucuronide-paclitaxel conjugates mentioned above can be used to improve anticancer activity and water-solubility of paclitaxel.

64 views • 4 slides