Different metabolic processes as nus products form variety free radicals. Those radicals have damaging influence to people health, when they are formed in human bodies, or react as active components in reactions of nutrients decay. In this article are investigated mechanisms of radical scavenging activity of alizarin in reactions with •OH, •OOH and CH3OO• radicals. All results are obtained using DFT method. For calculations is used M06-2X functional in combination with 6-311++G(d,p) basis set. Lipid and aqueous environment are imitated. All conclusions are based on ΔH values, as thermodynamically indicator for anticipation of reaction pathway.
Tokom različitih metaboličkih procesa kao nus-produkti nastaju mnoštvo slobodnih radikala . Ovi radikali imaju štetan uticaj na zdravlje ljudi, ukoliko nastaju u čovekovom organizmu, ili reaguju kao aktivne komponente u reakcijama kvarenja hrane. U ovom radu su ispitani mehanizmi antiradikalske aktivnosti alizarina u reakcijama sa •OH, •OOH i CH3OO• radikalom. Svi rezultati dobijeni su primenom DFT metode. Za izračunavanja je korišćen M06-2X funkcional u kombinaciji sa 6-311++G(d,p) bazisnim skupom. Simulirano je lipidno i vodeno okruženje. Svi zaključci bazirani su na ΔH vrednostima, kao termodinamičkom indikatoru za predviđanje reakcionog puta.
TY - CONF
AU - Marković, Zoran
AU - Jeremić, Svetlana
AU - Milenković, Dejan
AU - Djorović, Jelena
PY - 2015
UR - http://aspace.agrif.bg.ac.rs/handle/123456789/5591
AB - Different metabolic processes as nus products form variety free radicals. Those radicals have damaging influence to people health, when they are formed in human bodies, or react as active components in reactions of nutrients decay. In this article are investigated mechanisms of radical scavenging activity of alizarin in reactions with •OH, •OOH and CH3OO• radicals. All results are obtained using DFT method. For calculations is used M06-2X functional in combination with 6-311++G(d,p) basis set. Lipid and aqueous environment are imitated. All conclusions are based on ΔH values, as thermodynamically indicator for anticipation of reaction pathway.
AB - Tokom različitih metaboličkih procesa kao nus-produkti nastaju mnoštvo slobodnih radikala . Ovi radikali imaju štetan uticaj na zdravlje ljudi, ukoliko nastaju u čovekovom organizmu, ili reaguju kao aktivne komponente u reakcijama kvarenja hrane. U ovom radu su ispitani mehanizmi antiradikalske aktivnosti alizarina u reakcijama sa •OH, •OOH i CH3OO• radikalom. Svi rezultati dobijeni su primenom DFT metode. Za izračunavanja je korišćen M06-2X funkcional u kombinaciji sa 6-311++G(d,p) bazisnim skupom. Simulirano je lipidno i vodeno okruženje. Svi zaključci bazirani su na ΔH vrednostima, kao termodinamičkom indikatoru za predviđanje reakcionog puta.
C3 - 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.
T1 - Mechanisms of Atioxidative Reactions of Alizarin with Free Radicals
T1 - Mehanizmi antioksidativnih reakcija alizarina sa slobodnim radikalima
UR - https://hdl.handle.net/21.15107/rcub_agrospace_5591
ER -
@conference{
author = "Marković, Zoran and Jeremić, Svetlana and Milenković, Dejan and Djorović, Jelena",
year = "2015",
abstract = "Different metabolic processes as nus products form variety free radicals. Those radicals have damaging influence to people health, when they are formed in human bodies, or react as active components in reactions of nutrients decay. In this article are investigated mechanisms of radical scavenging activity of alizarin in reactions with •OH, •OOH and CH3OO• radicals. All results are obtained using DFT method. For calculations is used M06-2X functional in combination with 6-311++G(d,p) basis set. Lipid and aqueous environment are imitated. All conclusions are based on ΔH values, as thermodynamically indicator for anticipation of reaction pathway., Tokom različitih metaboličkih procesa kao nus-produkti nastaju mnoštvo slobodnih radikala . Ovi radikali imaju štetan uticaj na zdravlje ljudi, ukoliko nastaju u čovekovom organizmu, ili reaguju kao aktivne komponente u reakcijama kvarenja hrane. U ovom radu su ispitani mehanizmi antiradikalske aktivnosti alizarina u reakcijama sa •OH, •OOH i CH3OO• radikalom. Svi rezultati dobijeni su primenom DFT metode. Za izračunavanja je korišćen M06-2X funkcional u kombinaciji sa 6-311++G(d,p) bazisnim skupom. Simulirano je lipidno i vodeno okruženje. Svi zaključci bazirani su na ΔH vrednostima, kao termodinamičkom indikatoru za predviđanje reakcionog puta.",
journal = "20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.",
title = "Mechanisms of Atioxidative Reactions of Alizarin with Free Radicals, Mehanizmi antioksidativnih reakcija alizarina sa slobodnim radikalima",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5591"
}
Marković, Z., Jeremić, S., Milenković, D.,& Djorović, J.. (2015). Mechanisms of Atioxidative Reactions of Alizarin with Free Radicals. in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015..
https://hdl.handle.net/21.15107/rcub_agrospace_5591
Marković Z, Jeremić S, Milenković D, Djorović J. Mechanisms of Atioxidative Reactions of Alizarin with Free Radicals. in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.. 2015;.
https://hdl.handle.net/21.15107/rcub_agrospace_5591 .
Marković, Zoran, Jeremić, Svetlana, Milenković, Dejan, Djorović, Jelena, "Mechanisms of Atioxidative Reactions of Alizarin with Free Radicals" in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015. (2015),
https://hdl.handle.net/21.15107/rcub_agrospace_5591 .
