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Theoretical and Experimental Investigation of Thermodynamics and Kinetics of Thiol-Michael Addition Reactions: A Case Study of Reversible Fluorescent Probes for Glutathione Imaging in Single Cells

Density functional theory (DFT) was applied to study the thermodynamics and kinetics of reversible thiol-Michael addition reactions. M06-2X/6-31G(d) with the SMD solvation model can reliably predict the Gibbs free energy changes (ΔG) of thiol-Michael addition reactions with an error of less than 1 k...

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Shranjeno v:
Bibliografske podrobnosti
izdano v:Org Lett
Main Authors: Chen, Jianwei, Jiang, Xiqian, Carroll, Shaina, Huang, Jia, Wang, Jin
Format: Artigo
Jezik:Inglês
Izdano: 2015
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC4727754/
https://ncbi.nlm.nih.gov/pubmed/26606171
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.orglett.5b02910
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