AI Article Synopsis
- The research investigates the effectiveness of different nucleophilic agents, namely tri-methyl phosphine (TMP), tris (2-carboxyethyl) phosphine (TCEP), and N-heterocyclic carbene (NHC), in breaking disulfide bonds.
- TMP and TCEP successfully cleave these bonds but through an endothermic process, meaning they require energy to proceed.
- In contrast, the NHC-mediated reaction is exothermic, releasing energy, and the study utilizes advanced methods like natural bond orbital (NBO) analysis to understand electron transfer during these reactions.
Article Abstract
Herein, the separation of a disulfide bond using different nucleophilic agents like tri-methyl phosphine (TMP), tris (2-carboxyethyl) phosphine (TCEP), and N-heterocyclic carbene (NHC) has been investigated. Both TMP and TCEP have demonstrated their ability to break disulfide bonds through the S2 mechanism. However, it is worth noting that these reactions are endothermic. While searching for a suitable nucleophile, it was observed that the NHC-mediated reaction was exothermic. The natural bond orbital (NBO), principal interacting orbital (PIO) and extended transition state-natural orbitals for chemical valence (ETS-NOCV) studies help understand the electron transfer process between interacting orbitals during the chemical reactions.
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| http://dx.doi.org/10.1039/d4cp02672a | DOI Listing |
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