Solvent effects on 13C and 15N shielding tensors of nitroimidazoles in the condensed phase: A sequential molecular dynamics/quantum mechanics study. [Erratum to document cited in CA142:031904] was written by Ramalho, Teodorico C.;da Cunha, Elaine F. F.;Bicca de Alencastro, Ricardo. And the article was included in Journal of Physics: Condensed Matter in 2005.SDS of cas: 3034-41-1 This article mentions the following:
The pioneering work of professors S. Canuto and K. Coutinho in proposing and applying the sequential quantum mech./mol. mechanics methodol. employed in this paper was not cited. The following references are added: [1] K. Coutinho, S. Canuto, Adv. Quantum Chem. 28, 89 (1997); [2] K. Coutinho, S. Canuto, J. Chem. Phys. 113, 9132 (2002), [3] K. Coutinho, S. Canuto, J. Chem. Phys. 112, 9874 (2000), and [4] K. Coutinho, S. Canuto, J. Mol. Struct. (Theochem) 632, 235 (2003). In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1SDS of cas: 3034-41-1).
1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).SDS of cas: 3034-41-1
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem