Hemijske i biohemijske konsekvence metal-ligand interakcija, II. deo

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Hemijske i biohemijske konsekvence metal-ligand interakcija, II. deo (en)
Хемијске и биохемијске консеквенце метал-лиганд интеракција, II. део (sr)
Hemijske i biohemijske konsekvence metal-ligand interakcija, II. deo (sr_RS)
Authors

Publications

Lipid status, anti-oxidant enzyme defence and haemoglobin content in the blood of long-term clozapine-treated schizophrenic patients

Mijevic, Cedo; Nikolić, Milan; Nikolić-Kokić, Aleksandra; Jones, David R.; Niketić, Vesna; Lecic-Tosevski, Dusica; Spasić, Mihajlo B.

(Pergamon-Elsevier Science Ltd, Oxford, 2010)

TY  - JOUR
AU  - Mijevic, Cedo
AU  - Nikolić, Milan
AU  - Nikolić-Kokić, Aleksandra
AU  - Jones, David R.
AU  - Niketić, Vesna
AU  - Lecic-Tosevski, Dusica
AU  - Spasić, Mihajlo B.
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1059
AB  - Objective: Despite clozapine's unique effectiveness in patients with schizophrenia, a number of adverse effects have been recognised including abnormalities in lipid and glucose metabolisms. A high clozapine level in red blood cells (RBCs) and disturbed anti-oxidant enzyme activities in blood from schizophrenic patients prompted us to investigate lipid status and anti-oxidant enzyme defence in the blood of chronic schizophrenic patients on long-term clozapine therapy. Methods: Plasma lipids, RBC anti-oxidant enzyme activities and haemoglobin (Hb) content were measured using established procedures in a group of eighteen chronically-medicated (average 630 days of therapy) schizophrenic patients receiving clozapine (average dose of 295 mg/day) and data were compared with those from a group of eighteen well-matched normal controls. Results: Significantly higher levels of plasma triglycerides (by 47%, p lt 0.01) and total cholesterol and phospholipids (by 8% and 11%, respectively p lt 0.05) in patients were found. CuZn-superoxide dismutase (SOD1) activity was markedly higher (by 35%, p lt 0.001) while selenium-dependent glutathione peroxidase (GSH-Px1) activity was markedly lower (by 41%, p lt 0.001) in patients. In addition, metHb and HbA1c levels in patients were significantly higher (by 58% and 25%. respectively p lt 0.001). SOD1 activity was negatively correlated (p lt 0.001) to GSH-Px1 activity in patients. Conclusions:The findings support the view that ongoing oxidative stress may be a mechanism by which clozapine induces some adverse effects that increase the risk of diabetes and metabolic syndrome. If valid, this would indicate that in parallel with long-term clozapine treatment, schizophrenic patients could be encouraged to make some lifestyle changes to limit the detrimental effects of the medication. (C) 2009 Elsevier Inc. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Progress in Neuro-psychopharmacology and Biological Psychiatry
T1  - Lipid status, anti-oxidant enzyme defence and haemoglobin content in the blood of long-term clozapine-treated schizophrenic patients
VL  - 34
IS  - 2
SP  - 303
EP  - 307
DO  - 10.1016/j.pnpbp.2009.11.024
ER  - 
@article{
author = "Mijevic, Cedo and Nikolić, Milan and Nikolić-Kokić, Aleksandra and Jones, David R. and Niketić, Vesna and Lecic-Tosevski, Dusica and Spasić, Mihajlo B.",
year = "2010",
abstract = "Objective: Despite clozapine's unique effectiveness in patients with schizophrenia, a number of adverse effects have been recognised including abnormalities in lipid and glucose metabolisms. A high clozapine level in red blood cells (RBCs) and disturbed anti-oxidant enzyme activities in blood from schizophrenic patients prompted us to investigate lipid status and anti-oxidant enzyme defence in the blood of chronic schizophrenic patients on long-term clozapine therapy. Methods: Plasma lipids, RBC anti-oxidant enzyme activities and haemoglobin (Hb) content were measured using established procedures in a group of eighteen chronically-medicated (average 630 days of therapy) schizophrenic patients receiving clozapine (average dose of 295 mg/day) and data were compared with those from a group of eighteen well-matched normal controls. Results: Significantly higher levels of plasma triglycerides (by 47%, p lt 0.01) and total cholesterol and phospholipids (by 8% and 11%, respectively p lt 0.05) in patients were found. CuZn-superoxide dismutase (SOD1) activity was markedly higher (by 35%, p lt 0.001) while selenium-dependent glutathione peroxidase (GSH-Px1) activity was markedly lower (by 41%, p lt 0.001) in patients. In addition, metHb and HbA1c levels in patients were significantly higher (by 58% and 25%. respectively p lt 0.001). SOD1 activity was negatively correlated (p lt 0.001) to GSH-Px1 activity in patients. Conclusions:The findings support the view that ongoing oxidative stress may be a mechanism by which clozapine induces some adverse effects that increase the risk of diabetes and metabolic syndrome. If valid, this would indicate that in parallel with long-term clozapine treatment, schizophrenic patients could be encouraged to make some lifestyle changes to limit the detrimental effects of the medication. (C) 2009 Elsevier Inc. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Progress in Neuro-psychopharmacology and Biological Psychiatry",
title = "Lipid status, anti-oxidant enzyme defence and haemoglobin content in the blood of long-term clozapine-treated schizophrenic patients",
volume = "34",
number = "2",
pages = "303-307",
doi = "10.1016/j.pnpbp.2009.11.024"
}
Mijevic, C., Nikolić, M., Nikolić-Kokić, A., Jones, D. R., Niketić, V., Lecic-Tosevski, D.,& Spasić, M. B.. (2010). Lipid status, anti-oxidant enzyme defence and haemoglobin content in the blood of long-term clozapine-treated schizophrenic patients. in Progress in Neuro-psychopharmacology and Biological Psychiatry
Pergamon-Elsevier Science Ltd, Oxford., 34(2), 303-307.
https://doi.org/10.1016/j.pnpbp.2009.11.024
Mijevic C, Nikolić M, Nikolić-Kokić A, Jones DR, Niketić V, Lecic-Tosevski D, Spasić MB. Lipid status, anti-oxidant enzyme defence and haemoglobin content in the blood of long-term clozapine-treated schizophrenic patients. in Progress in Neuro-psychopharmacology and Biological Psychiatry. 2010;34(2):303-307.
doi:10.1016/j.pnpbp.2009.11.024 .
Mijevic, Cedo, Nikolić, Milan, Nikolić-Kokić, Aleksandra, Jones, David R., Niketić, Vesna, Lecic-Tosevski, Dusica, Spasić, Mihajlo B., "Lipid status, anti-oxidant enzyme defence and haemoglobin content in the blood of long-term clozapine-treated schizophrenic patients" in Progress in Neuro-psychopharmacology and Biological Psychiatry, 34, no. 2 (2010):303-307,
https://doi.org/10.1016/j.pnpbp.2009.11.024 . .
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Intrinsic Distortion Path in the analysis of the Jahn-Teller effect

Zlatar, Matija; Gruden-Pavlović, Maja; Schlaepfer, Carl-Wilhelm; Daul, Claude

(Elsevier Science Bv, Amsterdam, 2010)

TY  - JOUR
AU  - Zlatar, Matija
AU  - Gruden-Pavlović, Maja
AU  - Schlaepfer, Carl-Wilhelm
AU  - Daul, Claude
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1101
AB  - The multideterminental-DFT approach was performed in order to calculate the Jahn-Teller (JT) parameters for the JT active molecules. Within the harmonic approximation the JT distortion can be analysed as a linear combination of all totally symmetric normal modes in any of the low symmetry minimum energy conformation, which allows to calculate the Intrinsic Distortion Path (IDP), exactly from the high symmetry point to the low symmetry configuration. Results obtained by both methods are consistent and give direct insight into the coupling of electronic structure and nuclear movements. As examples, the results for Cu-3 cluster, cobaltocene and manganocene are reported. (C) 2010 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure: Theochem
T1  - Intrinsic Distortion Path in the analysis of the Jahn-Teller effect
VL  - 954
IS  - 1-3
SP  - 86
EP  - 93
DO  - 10.1016/j.theochem.2010.04.020
ER  - 
@article{
author = "Zlatar, Matija and Gruden-Pavlović, Maja and Schlaepfer, Carl-Wilhelm and Daul, Claude",
year = "2010",
abstract = "The multideterminental-DFT approach was performed in order to calculate the Jahn-Teller (JT) parameters for the JT active molecules. Within the harmonic approximation the JT distortion can be analysed as a linear combination of all totally symmetric normal modes in any of the low symmetry minimum energy conformation, which allows to calculate the Intrinsic Distortion Path (IDP), exactly from the high symmetry point to the low symmetry configuration. Results obtained by both methods are consistent and give direct insight into the coupling of electronic structure and nuclear movements. As examples, the results for Cu-3 cluster, cobaltocene and manganocene are reported. (C) 2010 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure: Theochem",
title = "Intrinsic Distortion Path in the analysis of the Jahn-Teller effect",
volume = "954",
number = "1-3",
pages = "86-93",
doi = "10.1016/j.theochem.2010.04.020"
}
Zlatar, M., Gruden-Pavlović, M., Schlaepfer, C.,& Daul, C.. (2010). Intrinsic Distortion Path in the analysis of the Jahn-Teller effect. in Journal of Molecular Structure: Theochem
Elsevier Science Bv, Amsterdam., 954(1-3), 86-93.
https://doi.org/10.1016/j.theochem.2010.04.020
Zlatar M, Gruden-Pavlović M, Schlaepfer C, Daul C. Intrinsic Distortion Path in the analysis of the Jahn-Teller effect. in Journal of Molecular Structure: Theochem. 2010;954(1-3):86-93.
doi:10.1016/j.theochem.2010.04.020 .
Zlatar, Matija, Gruden-Pavlović, Maja, Schlaepfer, Carl-Wilhelm, Daul, Claude, "Intrinsic Distortion Path in the analysis of the Jahn-Teller effect" in Journal of Molecular Structure: Theochem, 954, no. 1-3 (2010):86-93,
https://doi.org/10.1016/j.theochem.2010.04.020 . .
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DFT study of the Jahn-Teller effect in Cu(II) chelate complexes

Gruden-Pavlović, Maja; Zlatar, Matija; Schlaepfer, Carl-Wilhelm; Daul, Claude

(Elsevier Science Bv, Amsterdam, 2010)

TY  - JOUR
AU  - Gruden-Pavlović, Maja
AU  - Zlatar, Matija
AU  - Schlaepfer, Carl-Wilhelm
AU  - Daul, Claude
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1100
AB  - Density functional theory (DFT) in conjunction with the intrinsic distortion path (IDP) is employed to study the Jahn-Teller (JT) effect in all four diastereoisomers of tris(ethylenediamine)copper(II) ([Cu(en)(3)](2+)) and tris(ethyleneglycol)copper(II) ([Cu(eg)(3)](2+)) complexes. As a consequence of the JT effect all the isomers tetragonally elongate to the C-2 configurations. Although there are energy differences between the isomers of [Cu(en)(3)](2+), almost equal JT parameters suggest that chelate ring conformation does not have affect on the JT distortion. In a case of [Cu(eg)(3)](2+) JT effect causes additional hydrogen bond formation and these two effects define the overall geometry of isomers. (C) 2010 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure: Theochem
T1  - DFT study of the Jahn-Teller effect in Cu(II) chelate complexes
VL  - 954
IS  - 1-3
SP  - 80
EP  - 85
DO  - 10.1016/j.theochem.2010.03.031
ER  - 
@article{
author = "Gruden-Pavlović, Maja and Zlatar, Matija and Schlaepfer, Carl-Wilhelm and Daul, Claude",
year = "2010",
abstract = "Density functional theory (DFT) in conjunction with the intrinsic distortion path (IDP) is employed to study the Jahn-Teller (JT) effect in all four diastereoisomers of tris(ethylenediamine)copper(II) ([Cu(en)(3)](2+)) and tris(ethyleneglycol)copper(II) ([Cu(eg)(3)](2+)) complexes. As a consequence of the JT effect all the isomers tetragonally elongate to the C-2 configurations. Although there are energy differences between the isomers of [Cu(en)(3)](2+), almost equal JT parameters suggest that chelate ring conformation does not have affect on the JT distortion. In a case of [Cu(eg)(3)](2+) JT effect causes additional hydrogen bond formation and these two effects define the overall geometry of isomers. (C) 2010 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure: Theochem",
title = "DFT study of the Jahn-Teller effect in Cu(II) chelate complexes",
volume = "954",
number = "1-3",
pages = "80-85",
doi = "10.1016/j.theochem.2010.03.031"
}
Gruden-Pavlović, M., Zlatar, M., Schlaepfer, C.,& Daul, C.. (2010). DFT study of the Jahn-Teller effect in Cu(II) chelate complexes. in Journal of Molecular Structure: Theochem
Elsevier Science Bv, Amsterdam., 954(1-3), 80-85.
https://doi.org/10.1016/j.theochem.2010.03.031
Gruden-Pavlović M, Zlatar M, Schlaepfer C, Daul C. DFT study of the Jahn-Teller effect in Cu(II) chelate complexes. in Journal of Molecular Structure: Theochem. 2010;954(1-3):80-85.
doi:10.1016/j.theochem.2010.03.031 .
Gruden-Pavlović, Maja, Zlatar, Matija, Schlaepfer, Carl-Wilhelm, Daul, Claude, "DFT study of the Jahn-Teller effect in Cu(II) chelate complexes" in Journal of Molecular Structure: Theochem, 954, no. 1-3 (2010):80-85,
https://doi.org/10.1016/j.theochem.2010.03.031 . .
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Molecular mechanics description of the stabilized effects in (ethylenediamine-N,N '-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic properties

Grubišić, Sonja; Gruden-Pavlović, Maja; Radanović, Dušanka D.; Perić, Marko; Niketić, Svetozar R.

(Elsevier Science Bv, Amsterdam, 2009)

TY  - JOUR
AU  - Grubišić, Sonja
AU  - Gruden-Pavlović, Maja
AU  - Radanović, Dušanka D.
AU  - Perić, Marko
AU  - Niketić, Svetozar R.
PY  - 2009
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/608
AB  - The mononuclear chromium(III) complex containing quadridentate ligand ethylenediamine-N,N'-diacetate (edda) and the corresponding dinuclear complex bridged by pyrazole-3,5-dicarboxylate (pzdc) are investigated by molecular mechanics calculations. Conformational analysis has been performed using the consistent force field (CFF) method, with the parameters developed previously for edta-type complexes and supplemented with new parameters for dinuclear system. These calculations indicated that many properties of [Cr-2(edda)(2)(mu-pzdc)](-) system can be explained by steric effects. Density functional theory (DFT) was applied to describe the magnetic couplings in [Cr-2(edda)(2)(mu-pzdc)](-). (c) 2008 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Molecular mechanics description of the stabilized effects in (ethylenediamine-N,N '-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic properties
VL  - 919
IS  - 1-3
SP  - 54
EP  - 58
DO  - 10.1016/j.molstruc.2008.08.010
ER  - 
@article{
author = "Grubišić, Sonja and Gruden-Pavlović, Maja and Radanović, Dušanka D. and Perić, Marko and Niketić, Svetozar R.",
year = "2009",
abstract = "The mononuclear chromium(III) complex containing quadridentate ligand ethylenediamine-N,N'-diacetate (edda) and the corresponding dinuclear complex bridged by pyrazole-3,5-dicarboxylate (pzdc) are investigated by molecular mechanics calculations. Conformational analysis has been performed using the consistent force field (CFF) method, with the parameters developed previously for edta-type complexes and supplemented with new parameters for dinuclear system. These calculations indicated that many properties of [Cr-2(edda)(2)(mu-pzdc)](-) system can be explained by steric effects. Density functional theory (DFT) was applied to describe the magnetic couplings in [Cr-2(edda)(2)(mu-pzdc)](-). (c) 2008 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Molecular mechanics description of the stabilized effects in (ethylenediamine-N,N '-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic properties",
volume = "919",
number = "1-3",
pages = "54-58",
doi = "10.1016/j.molstruc.2008.08.010"
}
Grubišić, S., Gruden-Pavlović, M., Radanović, D. D., Perić, M.,& Niketić, S. R.. (2009). Molecular mechanics description of the stabilized effects in (ethylenediamine-N,N '-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic properties. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 919(1-3), 54-58.
https://doi.org/10.1016/j.molstruc.2008.08.010
Grubišić S, Gruden-Pavlović M, Radanović DD, Perić M, Niketić SR. Molecular mechanics description of the stabilized effects in (ethylenediamine-N,N '-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic properties. in Journal of Molecular Structure. 2009;919(1-3):54-58.
doi:10.1016/j.molstruc.2008.08.010 .
Grubišić, Sonja, Gruden-Pavlović, Maja, Radanović, Dušanka D., Perić, Marko, Niketić, Svetozar R., "Molecular mechanics description of the stabilized effects in (ethylenediamine-N,N '-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic properties" in Journal of Molecular Structure, 919, no. 1-3 (2009):54-58,
https://doi.org/10.1016/j.molstruc.2008.08.010 . .
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Dietary lipid intake influences the level of cholesterol bound to haemoglobin in human erythrocytes

Nikolić, Milan; Medic, Danijela Ristic; Stanić-Vučinić, Dragana; Postic, Marija; Arsic, Aleksandra; Niketić, Vesna

(Springer Heidelberg, Heidelberg, 2008)

TY  - JOUR
AU  - Nikolić, Milan
AU  - Medic, Danijela Ristic
AU  - Stanić-Vučinić, Dragana
AU  - Postic, Marija
AU  - Arsic, Aleksandra
AU  - Niketić, Vesna
PY  - 2008
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/936
AB  - Background Blood cholesterol levels are affected by diet and in particular by the type of fat intake. We originally showed that a significant but variable amount of cholesterol is firmly bound to haemoglobin (Hb) yielding the Hb-lipid adduct (Hb-Ch) in erythrocytes isolated from normo-lipidemic males. Aim of the study To establish whether dietary lipids affect the level of Hb-Ch in human erythrocytes. Methods Seventy-four healthy free-living adults were separated according to their serum cholesterol levels into two groups: normo-cholesterolemic (LDL cholesterol  lt  3.4 mmol/l and total cholesterol  lt  5.2 mmol/l) (NC) and hyper-cholesterolemic (LDL cholesterol  gt = 3.4 mmol/l) (HC). Habitual dietary information was used to classify subjects in both study groups into sub-groups of low-fat ( lt = 30% total energy as fat) and high-fat consumers ( gt  30% total energy as fat). The NC low-fat consumers were placed on a high-lipid (high-fat and high-cholesterol) diet whereas the HC subjects with high-fat intake were assigned to a low-lipid (low-fat and low-cholesterol) diet. Both types of dietary intervention were allowed to continue for 6 weeks. The main variable under scrutiny was the Hb-Ch concentration. Results In both study groups low-fat intake subjects had low levels of Hb-Ch (approx. 0.35 mmol/l RBC) compared with high-fat intake subjects (approx. 0.60 mmol/l RBC), and serum cholesterol was not correlated with Hb-Ch. The two dietary interventions produced substantial changes in the Hb-Ch level that paralleled variation in the serum cholesterol concentration. A high-lipid diet (35% fat, 15% saturated; 580 mg cholesterol) increased Hb-Ch (by approximately 47%, P  lt  0.001) in subjects with low Hb-Ch at onset, whereas a low-lipid diet (28% fat, 9% saturated; 280 mg cholesterol) decreased Hb-Ch (by approximately 40%, P  lt  0.001) in subjects with high Hb-Ch at onset. Conclusion High consumption of dietary lipids, including saturated fat and cholesterol, has an important influence on the level of Hb-Ch in human erythrocytes.
PB  - Springer Heidelberg, Heidelberg
T2  - European Journal of Nutrition
T1  - Dietary lipid intake influences the level of cholesterol bound to haemoglobin in human erythrocytes
VL  - 47
IS  - 3
SP  - 123
EP  - 130
DO  - 10.1007/s00394-008-0705-z
ER  - 
@article{
author = "Nikolić, Milan and Medic, Danijela Ristic and Stanić-Vučinić, Dragana and Postic, Marija and Arsic, Aleksandra and Niketić, Vesna",
year = "2008",
abstract = "Background Blood cholesterol levels are affected by diet and in particular by the type of fat intake. We originally showed that a significant but variable amount of cholesterol is firmly bound to haemoglobin (Hb) yielding the Hb-lipid adduct (Hb-Ch) in erythrocytes isolated from normo-lipidemic males. Aim of the study To establish whether dietary lipids affect the level of Hb-Ch in human erythrocytes. Methods Seventy-four healthy free-living adults were separated according to their serum cholesterol levels into two groups: normo-cholesterolemic (LDL cholesterol  lt  3.4 mmol/l and total cholesterol  lt  5.2 mmol/l) (NC) and hyper-cholesterolemic (LDL cholesterol  gt = 3.4 mmol/l) (HC). Habitual dietary information was used to classify subjects in both study groups into sub-groups of low-fat ( lt = 30% total energy as fat) and high-fat consumers ( gt  30% total energy as fat). The NC low-fat consumers were placed on a high-lipid (high-fat and high-cholesterol) diet whereas the HC subjects with high-fat intake were assigned to a low-lipid (low-fat and low-cholesterol) diet. Both types of dietary intervention were allowed to continue for 6 weeks. The main variable under scrutiny was the Hb-Ch concentration. Results In both study groups low-fat intake subjects had low levels of Hb-Ch (approx. 0.35 mmol/l RBC) compared with high-fat intake subjects (approx. 0.60 mmol/l RBC), and serum cholesterol was not correlated with Hb-Ch. The two dietary interventions produced substantial changes in the Hb-Ch level that paralleled variation in the serum cholesterol concentration. A high-lipid diet (35% fat, 15% saturated; 580 mg cholesterol) increased Hb-Ch (by approximately 47%, P  lt  0.001) in subjects with low Hb-Ch at onset, whereas a low-lipid diet (28% fat, 9% saturated; 280 mg cholesterol) decreased Hb-Ch (by approximately 40%, P  lt  0.001) in subjects with high Hb-Ch at onset. Conclusion High consumption of dietary lipids, including saturated fat and cholesterol, has an important influence on the level of Hb-Ch in human erythrocytes.",
publisher = "Springer Heidelberg, Heidelberg",
journal = "European Journal of Nutrition",
title = "Dietary lipid intake influences the level of cholesterol bound to haemoglobin in human erythrocytes",
volume = "47",
number = "3",
pages = "123-130",
doi = "10.1007/s00394-008-0705-z"
}
Nikolić, M., Medic, D. R., Stanić-Vučinić, D., Postic, M., Arsic, A.,& Niketić, V.. (2008). Dietary lipid intake influences the level of cholesterol bound to haemoglobin in human erythrocytes. in European Journal of Nutrition
Springer Heidelberg, Heidelberg., 47(3), 123-130.
https://doi.org/10.1007/s00394-008-0705-z
Nikolić M, Medic DR, Stanić-Vučinić D, Postic M, Arsic A, Niketić V. Dietary lipid intake influences the level of cholesterol bound to haemoglobin in human erythrocytes. in European Journal of Nutrition. 2008;47(3):123-130.
doi:10.1007/s00394-008-0705-z .
Nikolić, Milan, Medic, Danijela Ristic, Stanić-Vučinić, Dragana, Postic, Marija, Arsic, Aleksandra, Niketić, Vesna, "Dietary lipid intake influences the level of cholesterol bound to haemoglobin in human erythrocytes" in European Journal of Nutrition, 47, no. 3 (2008):123-130,
https://doi.org/10.1007/s00394-008-0705-z . .
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Does cholesterol bound to haemoglobin affect the anti-oxidant enzyme defence system in human erythrocytes?

Nikolić, Milan; Nikolić-Kokić, Aleksandra; Stanić, Dragana; Blagojević, Duško P.; Vranić, Danijela; Jones, David R.; Niketić, Vesna; Spasić, Mihajlo B.

(Serbian Chemical Soc, Belgrade, 2007)

TY  - JOUR
AU  - Nikolić, Milan
AU  - Nikolić-Kokić, Aleksandra
AU  - Stanić, Dragana
AU  - Blagojević, Duško P.
AU  - Vranić, Danijela
AU  - Jones, David R.
AU  - Niketić, Vesna
AU  - Spasić, Mihajlo B.
PY  - 2007
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/837
AB  - In a previous study, it was shown that the lipid fraction, which is occasionally observed in red blood cell hemolysates, represents cholesterol (Ch) associated with phospholipid firmly bound to haemoglobin (termed Hb-Ch). The current study was conducted to investigate whether Hb-Ch could affect the primary anti-oxidant enzyme defence system in human erythrocytes. Sixty healthy volunteers were used for the current study. Group 1 consisted of 28 subjects without or with a low level of Hb-Ch. Group 2 comprised 32 subjects with a considerably higher level of Hb-Ch. The activities of erythrocyte superoxide dismutase, catalase, glutathione peroxidase and glutathione reductase, as well as the content of methaemoglobin (metHb) were measured in both groups. The results indicated that the amount of Hb-Ch neither influenced the activities of the erythrocyte anti-oxidant enzymes nor altered the level of metHb. However, a higher amount of Hb-Ch changed the correlations in the part of the anti-oxidant defence system relating to glutathione, suggesting increased peroxidative pressure from plasma lipids. Group 2 also had significantly increased concentrations of total plasma Ch and triglycerides. Together, these facts are strong indications that the anti-oxidant defence system in human erythrocytes finely retunes its composition according to plasma oxidative demands.
AB  - U prethodnom radu pokazano je da lipidna frakcija koja se javlja u hemolizatu zdravih ljudi predstavlja holesterol (asosovan sa fosfolipidima) čvrsto vezan za hemoglobin (Hb-Ch). U ovom radu ispitivan je uticaj Hb-Ch na anti-oksidativni enzimski sistem u humanim eritrocitima. Određena je aktivnost superoksid-dizmutaze, katalaze, glutation-peroksidaze i glutation-reduktaze, kao i sadržaj met-hemoglobina (metHb) u eritrocitima 60 ljudi, podeljenih u dve grupe na osnovu količine Hb-Ch. Rezultati pokazuju da količina prisutnog Hb-Ch ne menja aktivnost merenih enzima, niti nivo metHb. Međutim, u grupi ispitanika sa povećanim sadržajem Hb-Ch zapažene su korelativne promene u delu anti-oksidativnog enzimskog sistema povezanog sa glutationom. U istoj grupi detektovane su i veće koncentracije ukupnog holesterola i triglicerida u plazmi, što zajedno ukazuje na povećani peroksidativni pritisak iz plazme. Ovi rezultati ukazuju da odbrambeni anti-oksidativni enzimski sistem u humanim eritrocitima prilagođava svoju organizaciju prema zahtevima iz svog okruženja. .
PB  - Serbian Chemical Soc, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Does cholesterol bound to haemoglobin affect the anti-oxidant enzyme defence system in human erythrocytes?
T1  - Da li holesterol vezan za hemoglobin utiče na anti-oksidativni enzimski sistem u humanim eritrocitima?
VL  - 72
IS  - 4
SP  - 339
EP  - 345
DO  - 10.2298/JSC0704339N
ER  - 
@article{
author = "Nikolić, Milan and Nikolić-Kokić, Aleksandra and Stanić, Dragana and Blagojević, Duško P. and Vranić, Danijela and Jones, David R. and Niketić, Vesna and Spasić, Mihajlo B.",
year = "2007",
abstract = "In a previous study, it was shown that the lipid fraction, which is occasionally observed in red blood cell hemolysates, represents cholesterol (Ch) associated with phospholipid firmly bound to haemoglobin (termed Hb-Ch). The current study was conducted to investigate whether Hb-Ch could affect the primary anti-oxidant enzyme defence system in human erythrocytes. Sixty healthy volunteers were used for the current study. Group 1 consisted of 28 subjects without or with a low level of Hb-Ch. Group 2 comprised 32 subjects with a considerably higher level of Hb-Ch. The activities of erythrocyte superoxide dismutase, catalase, glutathione peroxidase and glutathione reductase, as well as the content of methaemoglobin (metHb) were measured in both groups. The results indicated that the amount of Hb-Ch neither influenced the activities of the erythrocyte anti-oxidant enzymes nor altered the level of metHb. However, a higher amount of Hb-Ch changed the correlations in the part of the anti-oxidant defence system relating to glutathione, suggesting increased peroxidative pressure from plasma lipids. Group 2 also had significantly increased concentrations of total plasma Ch and triglycerides. Together, these facts are strong indications that the anti-oxidant defence system in human erythrocytes finely retunes its composition according to plasma oxidative demands., U prethodnom radu pokazano je da lipidna frakcija koja se javlja u hemolizatu zdravih ljudi predstavlja holesterol (asosovan sa fosfolipidima) čvrsto vezan za hemoglobin (Hb-Ch). U ovom radu ispitivan je uticaj Hb-Ch na anti-oksidativni enzimski sistem u humanim eritrocitima. Određena je aktivnost superoksid-dizmutaze, katalaze, glutation-peroksidaze i glutation-reduktaze, kao i sadržaj met-hemoglobina (metHb) u eritrocitima 60 ljudi, podeljenih u dve grupe na osnovu količine Hb-Ch. Rezultati pokazuju da količina prisutnog Hb-Ch ne menja aktivnost merenih enzima, niti nivo metHb. Međutim, u grupi ispitanika sa povećanim sadržajem Hb-Ch zapažene su korelativne promene u delu anti-oksidativnog enzimskog sistema povezanog sa glutationom. U istoj grupi detektovane su i veće koncentracije ukupnog holesterola i triglicerida u plazmi, što zajedno ukazuje na povećani peroksidativni pritisak iz plazme. Ovi rezultati ukazuju da odbrambeni anti-oksidativni enzimski sistem u humanim eritrocitima prilagođava svoju organizaciju prema zahtevima iz svog okruženja. .",
publisher = "Serbian Chemical Soc, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Does cholesterol bound to haemoglobin affect the anti-oxidant enzyme defence system in human erythrocytes?, Da li holesterol vezan za hemoglobin utiče na anti-oksidativni enzimski sistem u humanim eritrocitima?",
volume = "72",
number = "4",
pages = "339-345",
doi = "10.2298/JSC0704339N"
}
Nikolić, M., Nikolić-Kokić, A., Stanić, D., Blagojević, D. P., Vranić, D., Jones, D. R., Niketić, V.,& Spasić, M. B.. (2007). Does cholesterol bound to haemoglobin affect the anti-oxidant enzyme defence system in human erythrocytes?. in Journal of the Serbian Chemical Society
Serbian Chemical Soc, Belgrade., 72(4), 339-345.
https://doi.org/10.2298/JSC0704339N
Nikolić M, Nikolić-Kokić A, Stanić D, Blagojević DP, Vranić D, Jones DR, Niketić V, Spasić MB. Does cholesterol bound to haemoglobin affect the anti-oxidant enzyme defence system in human erythrocytes?. in Journal of the Serbian Chemical Society. 2007;72(4):339-345.
doi:10.2298/JSC0704339N .
Nikolić, Milan, Nikolić-Kokić, Aleksandra, Stanić, Dragana, Blagojević, Duško P., Vranić, Danijela, Jones, David R., Niketić, Vesna, Spasić, Mihajlo B., "Does cholesterol bound to haemoglobin affect the anti-oxidant enzyme defence system in human erythrocytes?" in Journal of the Serbian Chemical Society, 72, no. 4 (2007):339-345,
https://doi.org/10.2298/JSC0704339N . .
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3

Efflux of cholesterol and phospholipids derived from the haemoglobin-lipid adduct in human red blood cells into plasma

Nikolić, Milan; Stanić, Dragana; Barievic, Ivona; Jones, David R.; Nedić, Olgica; Niketić, Vesna

(Pergamon-Elsevier Science Ltd, Oxford, 2007)

TY  - JOUR
AU  - Nikolić, Milan
AU  - Stanić, Dragana
AU  - Barievic, Ivona
AU  - Jones, David R.
AU  - Nedić, Olgica
AU  - Niketić, Vesna
PY  - 2007
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/824
AB  - Objective: The interior of red blood cells (RBCs) contains a variable amount of cholesterol and phospholipids bound to haemoglobin (Hb). This current study was devised to determine if this pool of lipids (termed Hb-Ch) was available for exchange with plasma lipoproteins. Design and methods: We studied the in vitro efflux of lipids from human RBCs into fasting plasma in men with either low (control group) or high Hb-Ch (study group). Results: When plasma was incubated with a two-fold excess of autologous RBCs the plasma cholesterol level increased due to a decrease in the level of cholesterol from the RBC membrane (in the control group) and due to a decrease in the level of cholesterol both from the RBC membrane and the Hb-Ch fraction (in the study group). The loss of Hb-Ch-derived phospholipids during lipid efflux was roughly equal to that of Hb-Ch-derived cholesterol. The loss of RBC cholesterol into plasma high-density lipoproteins (HDL) was more pronounced in our study group and correlated with the loss of cholesterol from Hb-Ch. Conclusion: The Hb-Ch adduct significantly contributes to the lipid efflux from RBCs into plasma. The majority of cholesterol released from Hb-Ch appears in the plasma HDL fraction suggesting that Hb-Ch may play a role in reverse cholesterol transport in vivo. (c) 2006 Published by The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Clinical Biochemistry
T1  - Efflux of cholesterol and phospholipids derived from the haemoglobin-lipid adduct in human red blood cells into plasma
VL  - 40
IS  - 5-6
SP  - 305
EP  - 309
DO  - 10.1016/j.clinbiochem.2006.11.005
ER  - 
@article{
author = "Nikolić, Milan and Stanić, Dragana and Barievic, Ivona and Jones, David R. and Nedić, Olgica and Niketić, Vesna",
year = "2007",
abstract = "Objective: The interior of red blood cells (RBCs) contains a variable amount of cholesterol and phospholipids bound to haemoglobin (Hb). This current study was devised to determine if this pool of lipids (termed Hb-Ch) was available for exchange with plasma lipoproteins. Design and methods: We studied the in vitro efflux of lipids from human RBCs into fasting plasma in men with either low (control group) or high Hb-Ch (study group). Results: When plasma was incubated with a two-fold excess of autologous RBCs the plasma cholesterol level increased due to a decrease in the level of cholesterol from the RBC membrane (in the control group) and due to a decrease in the level of cholesterol both from the RBC membrane and the Hb-Ch fraction (in the study group). The loss of Hb-Ch-derived phospholipids during lipid efflux was roughly equal to that of Hb-Ch-derived cholesterol. The loss of RBC cholesterol into plasma high-density lipoproteins (HDL) was more pronounced in our study group and correlated with the loss of cholesterol from Hb-Ch. Conclusion: The Hb-Ch adduct significantly contributes to the lipid efflux from RBCs into plasma. The majority of cholesterol released from Hb-Ch appears in the plasma HDL fraction suggesting that Hb-Ch may play a role in reverse cholesterol transport in vivo. (c) 2006 Published by The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Clinical Biochemistry",
title = "Efflux of cholesterol and phospholipids derived from the haemoglobin-lipid adduct in human red blood cells into plasma",
volume = "40",
number = "5-6",
pages = "305-309",
doi = "10.1016/j.clinbiochem.2006.11.005"
}
Nikolić, M., Stanić, D., Barievic, I., Jones, D. R., Nedić, O.,& Niketić, V.. (2007). Efflux of cholesterol and phospholipids derived from the haemoglobin-lipid adduct in human red blood cells into plasma. in Clinical Biochemistry
Pergamon-Elsevier Science Ltd, Oxford., 40(5-6), 305-309.
https://doi.org/10.1016/j.clinbiochem.2006.11.005
Nikolić M, Stanić D, Barievic I, Jones DR, Nedić O, Niketić V. Efflux of cholesterol and phospholipids derived from the haemoglobin-lipid adduct in human red blood cells into plasma. in Clinical Biochemistry. 2007;40(5-6):305-309.
doi:10.1016/j.clinbiochem.2006.11.005 .
Nikolić, Milan, Stanić, Dragana, Barievic, Ivona, Jones, David R., Nedić, Olgica, Niketić, Vesna, "Efflux of cholesterol and phospholipids derived from the haemoglobin-lipid adduct in human red blood cells into plasma" in Clinical Biochemistry, 40, no. 5-6 (2007):305-309,
https://doi.org/10.1016/j.clinbiochem.2006.11.005 . .
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Molecular mechanics study of nickel(II) octaethylporphyrin adsorbed on graphite(0001)

Gruden-Pavlović, Maja; Grubišić, Sonja; Zlatar, Matija; Niketić, Svetozar R.

(Mdpi Ag, Basel, 2007)

TY  - JOUR
AU  - Gruden-Pavlović, Maja
AU  - Grubišić, Sonja
AU  - Zlatar, Matija
AU  - Niketić, Svetozar R.
PY  - 2007
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/860
AB  - The effects of adsorption on the graphite(0001) surface on the nonplanar distortions of nickel(II) octaethylporphyrin were studied by molecular mechanics (MM) approach. Using the Consistent Force Field (CFF) program with previously developed parameters for metalloporphyrins and supplemented to treat intermolecular interactions geometry optimizations were carried out for 43 conformations of 28 distinct conformers of nickel(II) octaethylporphyrin. The stable energy-minimized conformers were stereochemically characterized, analyzed by the Normal-coordinate Structural Decomposition (NSD) method and compared with the available theoretical and experimental data for the isolated nickel(II) octaethylporphyrin structures.
PB  - Mdpi Ag, Basel
T2  - International Journal of Molecular Sciences
T1  - Molecular mechanics study of nickel(II) octaethylporphyrin adsorbed on graphite(0001)
VL  - 8
IS  - 8
SP  - 810
EP  - 829
DO  - 10.3390/i8080810
ER  - 
@article{
author = "Gruden-Pavlović, Maja and Grubišić, Sonja and Zlatar, Matija and Niketić, Svetozar R.",
year = "2007",
abstract = "The effects of adsorption on the graphite(0001) surface on the nonplanar distortions of nickel(II) octaethylporphyrin were studied by molecular mechanics (MM) approach. Using the Consistent Force Field (CFF) program with previously developed parameters for metalloporphyrins and supplemented to treat intermolecular interactions geometry optimizations were carried out for 43 conformations of 28 distinct conformers of nickel(II) octaethylporphyrin. The stable energy-minimized conformers were stereochemically characterized, analyzed by the Normal-coordinate Structural Decomposition (NSD) method and compared with the available theoretical and experimental data for the isolated nickel(II) octaethylporphyrin structures.",
publisher = "Mdpi Ag, Basel",
journal = "International Journal of Molecular Sciences",
title = "Molecular mechanics study of nickel(II) octaethylporphyrin adsorbed on graphite(0001)",
volume = "8",
number = "8",
pages = "810-829",
doi = "10.3390/i8080810"
}
Gruden-Pavlović, M., Grubišić, S., Zlatar, M.,& Niketić, S. R.. (2007). Molecular mechanics study of nickel(II) octaethylporphyrin adsorbed on graphite(0001). in International Journal of Molecular Sciences
Mdpi Ag, Basel., 8(8), 810-829.
https://doi.org/10.3390/i8080810
Gruden-Pavlović M, Grubišić S, Zlatar M, Niketić SR. Molecular mechanics study of nickel(II) octaethylporphyrin adsorbed on graphite(0001). in International Journal of Molecular Sciences. 2007;8(8):810-829.
doi:10.3390/i8080810 .
Gruden-Pavlović, Maja, Grubišić, Sonja, Zlatar, Matija, Niketić, Svetozar R., "Molecular mechanics study of nickel(II) octaethylporphyrin adsorbed on graphite(0001)" in International Journal of Molecular Sciences, 8, no. 8 (2007):810-829,
https://doi.org/10.3390/i8080810 . .
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Could cholesterol bound to haemoglobin be a missing link for the occasional inverse relationship between superoxide dismutase and glutathione peroxidase activities?

Nikolić, Milan; Vranić, Danijela; Spiric, Aurelija; Batas, Valentina; Nikolić-Kokić, Aleksandra; Radetic, Petar; Turubatovic, Lazar; Blagojević, Duško P.; Jones, David R.; Niketić, Vesna; Spasić, Mihajlo B.

(Academic Press Inc Elsevier Science, San Diego, 2006)

TY  - JOUR
AU  - Nikolić, Milan
AU  - Vranić, Danijela
AU  - Spiric, Aurelija
AU  - Batas, Valentina
AU  - Nikolić-Kokić, Aleksandra
AU  - Radetic, Petar
AU  - Turubatovic, Lazar
AU  - Blagojević, Duško P.
AU  - Jones, David R.
AU  - Niketić, Vesna
AU  - Spasić, Mihajlo B.
PY  - 2006
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/797
AB  - The concept of an anti-oxidant defence system as a means to prevent oxidative cell damage implies balanced activities of anti-oxidant defence enzymes. As well as positive correlations between anti-oxidant enzyme activities in human erythrocytes, it has been observed that sometimes when glutathione peroxidase activity is increased, CuZn-superoxide dismutase activity is decreased. In our current study we have examined the plasma lipid profile and the anti-oxidant defence enzymes in erythrocytes from humans, pigs, and bulls. We found that a negative correlation existed between CuZn-superoxide dismutase and glutathione peroxidase activities in human erythrocytes when the concentrations of both plasma triglycerides and total cholesterol were high. This correlation was also found in pig erythrocytes, but not in bull erythrocytes. We propose that cholesterol could affect membrane lipid peroxiclation and superoxide generation in erythrocytes via the recently found fraction of cholesterol bound to haemoglobin, termed haemoglobin-cholesterol. (c) 2006 Elsevier Inc. All rights reserved.
PB  - Academic Press Inc Elsevier Science, San Diego
T2  - Biochemical and Biophysical Research Communications
T1  - Could cholesterol bound to haemoglobin be a missing link for the occasional inverse relationship between superoxide dismutase and glutathione peroxidase activities?
VL  - 348
IS  - 1
SP  - 265
EP  - 270
DO  - 10.1016/j.bbrc.2006.06.199
ER  - 
@article{
author = "Nikolić, Milan and Vranić, Danijela and Spiric, Aurelija and Batas, Valentina and Nikolić-Kokić, Aleksandra and Radetic, Petar and Turubatovic, Lazar and Blagojević, Duško P. and Jones, David R. and Niketić, Vesna and Spasić, Mihajlo B.",
year = "2006",
abstract = "The concept of an anti-oxidant defence system as a means to prevent oxidative cell damage implies balanced activities of anti-oxidant defence enzymes. As well as positive correlations between anti-oxidant enzyme activities in human erythrocytes, it has been observed that sometimes when glutathione peroxidase activity is increased, CuZn-superoxide dismutase activity is decreased. In our current study we have examined the plasma lipid profile and the anti-oxidant defence enzymes in erythrocytes from humans, pigs, and bulls. We found that a negative correlation existed between CuZn-superoxide dismutase and glutathione peroxidase activities in human erythrocytes when the concentrations of both plasma triglycerides and total cholesterol were high. This correlation was also found in pig erythrocytes, but not in bull erythrocytes. We propose that cholesterol could affect membrane lipid peroxiclation and superoxide generation in erythrocytes via the recently found fraction of cholesterol bound to haemoglobin, termed haemoglobin-cholesterol. (c) 2006 Elsevier Inc. All rights reserved.",
publisher = "Academic Press Inc Elsevier Science, San Diego",
journal = "Biochemical and Biophysical Research Communications",
title = "Could cholesterol bound to haemoglobin be a missing link for the occasional inverse relationship between superoxide dismutase and glutathione peroxidase activities?",
volume = "348",
number = "1",
pages = "265-270",
doi = "10.1016/j.bbrc.2006.06.199"
}
Nikolić, M., Vranić, D., Spiric, A., Batas, V., Nikolić-Kokić, A., Radetic, P., Turubatovic, L., Blagojević, D. P., Jones, D. R., Niketić, V.,& Spasić, M. B.. (2006). Could cholesterol bound to haemoglobin be a missing link for the occasional inverse relationship between superoxide dismutase and glutathione peroxidase activities?. in Biochemical and Biophysical Research Communications
Academic Press Inc Elsevier Science, San Diego., 348(1), 265-270.
https://doi.org/10.1016/j.bbrc.2006.06.199
Nikolić M, Vranić D, Spiric A, Batas V, Nikolić-Kokić A, Radetic P, Turubatovic L, Blagojević DP, Jones DR, Niketić V, Spasić MB. Could cholesterol bound to haemoglobin be a missing link for the occasional inverse relationship between superoxide dismutase and glutathione peroxidase activities?. in Biochemical and Biophysical Research Communications. 2006;348(1):265-270.
doi:10.1016/j.bbrc.2006.06.199 .
Nikolić, Milan, Vranić, Danijela, Spiric, Aurelija, Batas, Valentina, Nikolić-Kokić, Aleksandra, Radetic, Petar, Turubatovic, Lazar, Blagojević, Duško P., Jones, David R., Niketić, Vesna, Spasić, Mihajlo B., "Could cholesterol bound to haemoglobin be a missing link for the occasional inverse relationship between superoxide dismutase and glutathione peroxidase activities?" in Biochemical and Biophysical Research Communications, 348, no. 1 (2006):265-270,
https://doi.org/10.1016/j.bbrc.2006.06.199 . .
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Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga

Grubišić, Sonja; Milčić, Miloš K.; Radanović, Dušanka D.; Niketić, S.R.

(2006)

TY  - JOUR
AU  - Grubišić, Sonja
AU  - Milčić, Miloš K.
AU  - Radanović, Dušanka D.
AU  - Niketić, S.R.
PY  - 2006
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/75
AB  - Conformational analysis of the three possible geometrical isomers: trans(O5), trans(O5O6) and trans(O6) of the sexidentate [Rh(1,3-pddadp)]- complex, and of the 10 possible isomers: four cis-equatorial, four cis-polar and two trans-equatorial of the quinquedentate [Rh(1,3-pddadp)Cl]2- complex was performed using the consistent force field (CFF) method, with the parameters developed previously for edta-type complexes of chromium(III) and supplemented with new parameters for rhodium(III). The force field is of maximally diagonal type. The energy-minimized structure of the cis-polar,trans(Cl,O5) isomer, having the same absolute configuration at the nitrogen atoms and 5-6-6 ring system in the G plane, represents the global minimum for the quinquedentate [Rh(1,3-pddadp)Cl]2- species. In the case of sexidentate [Rh(1,3-pddadp)]- complex the lowest energy conformer corresponds to the trans(O5O6) configuration. CFF calculations reproduced very well all crystallographically characterized structures: trans(O5)-[Rh(1,3-pddadp)]-, trans(O5O6)-[Rh(1,3-pddadp)]- and cis-polar,trans(Cl,O5)-[Rh(1,3-pddadp)Cl]2-. Comparison of the present molecular mechanics results with those for the analogous complexes revealed some general patterns for the conformational preferences of edta-type complexes. © 2006 Elsevier B.V. All rights reserved.
T2  - Journal of Molecular Structure
T1  - Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga
VL  - 794
IS  - 1-3
SP  - 125
EP  - 132
DO  - 10.1016/j.molstruc.2006.01.044
ER  - 
@article{
author = "Grubišić, Sonja and Milčić, Miloš K. and Radanović, Dušanka D. and Niketić, S.R.",
year = "2006",
abstract = "Conformational analysis of the three possible geometrical isomers: trans(O5), trans(O5O6) and trans(O6) of the sexidentate [Rh(1,3-pddadp)]- complex, and of the 10 possible isomers: four cis-equatorial, four cis-polar and two trans-equatorial of the quinquedentate [Rh(1,3-pddadp)Cl]2- complex was performed using the consistent force field (CFF) method, with the parameters developed previously for edta-type complexes of chromium(III) and supplemented with new parameters for rhodium(III). The force field is of maximally diagonal type. The energy-minimized structure of the cis-polar,trans(Cl,O5) isomer, having the same absolute configuration at the nitrogen atoms and 5-6-6 ring system in the G plane, represents the global minimum for the quinquedentate [Rh(1,3-pddadp)Cl]2- species. In the case of sexidentate [Rh(1,3-pddadp)]- complex the lowest energy conformer corresponds to the trans(O5O6) configuration. CFF calculations reproduced very well all crystallographically characterized structures: trans(O5)-[Rh(1,3-pddadp)]-, trans(O5O6)-[Rh(1,3-pddadp)]- and cis-polar,trans(Cl,O5)-[Rh(1,3-pddadp)Cl]2-. Comparison of the present molecular mechanics results with those for the analogous complexes revealed some general patterns for the conformational preferences of edta-type complexes. © 2006 Elsevier B.V. All rights reserved.",
journal = "Journal of Molecular Structure",
title = "Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga",
volume = "794",
number = "1-3",
pages = "125-132",
doi = "10.1016/j.molstruc.2006.01.044"
}
Grubišić, S., Milčić, M. K., Radanović, D. D.,& Niketić, S.R.. (2006). Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga. in Journal of Molecular Structure, 794(1-3), 125-132.
https://doi.org/10.1016/j.molstruc.2006.01.044
Grubišić S, Milčić MK, Radanović DD, Niketić S. Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga. in Journal of Molecular Structure. 2006;794(1-3):125-132.
doi:10.1016/j.molstruc.2006.01.044 .
Grubišić, Sonja, Milčić, Miloš K., Radanović, Dušanka D., Niketić, S.R., "Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga" in Journal of Molecular Structure, 794, no. 1-3 (2006):125-132,
https://doi.org/10.1016/j.molstruc.2006.01.044 . .
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