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A partial exploration of the potential energy surfaces of SCN and HSCN: implications for the enzyme-mediated detoxification of cyanide

, : A partial exploration of the potential energy surfaces of SCN and HSCN: implications for the enzyme-mediated detoxification of cyanide. Journal of Molecular Graphics & Modelling 28(2): 183-186

Cyanide (CN) is considered to be a terrorist chemical weapon due to its ready availability in multi-kilogram quantities and multi-modal means of intoxication. The body uses the sulfur transferase enzyme rhodanese to detoxify cyanide via conversion of cyanide to thiocyanate. This paper explores the potential energy surfaces for the conversion of cyanide anion and hydrogen cyanide to thiocyanate anion and thiocyanic acid, respectively. The potential energy surface for the conversion of cyanide anion to thiocyanate shows that the formation of thiocyanate (SCN) is vastly preferred to formation of its isomer SNC. However, the potential energy surface for the conversion of hydrogen cyanide to thiocyanic acid reveals that the formation of HSCN and HNCS would be relatively equal. The failure for analytical methods to detect HNCS is rationalized by the observation that deprotonation of either HNCS or HSCN leads to the same thiocyanate anion.


PMID: 19625201

DOI: 10.1016/j.jmgm.2009.06.005

Other references

Poole, T.A., 1995: Pharmacy's transition to a proactive practice mode. American Journal of Health-System Pharmacy 52(24): 2821-2824

Katrukha, A.; Bereznikova, A.; Filatov, V.; Pettersson, K.; Eskola Williams, A.; Kolosova, O.; Esakova, T.; Bulargina, T., 1999: Six cardiac troponin I assays compared using different native and recombinant preparations of the free and complexed antigen. Clinical Chemistry & Laboratory Medicine 37(SPEC SUPPL ): S448, June

Raizada, A.; Johri, V.; Ramnath, T.; Chowdhary, D.; Garg, R., 2013: A cross-sectional study on the palmar dermatoglyphics in relation to carcinoma breast patients. Dermatoglyphics is a collective term for all the integumentary features (skin patterning of the fingers, toes, palms and soles) and it applies to the division of the anatomy which embraces their study. The purpose of this study was to examine the...

Oshevski, S.; Clay, D.; L.B.usse Kerdiles, M.C.; Jasmin, C.; Castagna, M., 1996: Pattern of expression of protein kinase C isoforms in human CD34+ hematopoietic progenitors undergoing cytokine-induced erythropoiesis and myelopoiesis. Proceedings of the American Association for Cancer Research Annual Meeting 37(0): 512

Mortola, G.P.; Arnulfo, G.; Reboa, G.; Pitto, G.; Masini, R.; DiSomma, C.; Cassaro, S.; Riboli, E.B., 1986: Clinical application of a computerized diagnostic aid in the initial evaluation of 250 outpatients with gastrointestinal complaints. The results of a prospective controlled study designed to evaluate the performance of a computerized diagnostic aid in the clinical setting are reported herein. Two hundred and fifty patients referred to an outpatient clinic for gastrointestinal c...

Valliyodan, B.; Ye, H.; Song, L.; Murphy, M.; Shannon, J.Grover.; Nguyen, H.T., 2016: Genetic diversity and genomic strategies for improving drought and waterlogging tolerance in soybeans. NlmCategory="UNASSIGNED">Drought and its interaction with high temperature are the major abiotic stress factors affecting soybean yield and production stability. Ongoing climate changes are anticipated to intensify drought events, whi...

Manning, R.B.; Camp, D.K., 1993: Erythrosquilloidea, a new superfamily, and Tetrasquillidae, a new family of stomatopod crustaceans. The superfamily Erythrosquilloidea is erected for the family Erythrosquillidae, which contains one genus and species, Erythrosquilla megalops Manning and Bruce, 1984. This new superfamily differs from the Bathysquilloidea, Gonodactyloidea, and Squ...

D.Mourgues, G., 1965: Indications For The Emergency Treatment In Upper Extremity Injuries. La Revue Lyonnaise de Medecine 14: Suppl:39-40

Correale, J.; Gaitán, Mía.I.; Ysrraelit, Mía.C.; Fiol, M.P., 2016: Progressive multiple sclerosis: from pathogenic mechanisms to treatment. NlmCategory="UNASSIGNED">During the past decades, better understanding of relapsing-remitting multiple sclerosis disease mechanisms have led to the development of several disease-modifying therapies, reducing relapse rates and severit...

Bright, Rm, 1983: Repair of diaphragmatic rents using omentum. Current techniques in small animal surgery: nd ed) 237-239