Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2006-08-16 12:15:16 UTC |
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Update Date | 2022-03-07 02:49:05 UTC |
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HMDB ID | HMDB0000692 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Fe2+ |
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Description | Iron is a chemical element with the symbol Fe and atomic number 26. Iron makes up 5% of the Earth's crust and is second in abundance to aluminium among the metals and fourth in abundance among the elements. Physiologically, it. exists as an ion in the body. Iron (as Fe2+, ferrous ion) is a necessary trace element used by all known living organisms. Iron-containing enzymes, usually containing heme prosthetic groups, participate in catalysis of oxidation reactions in biology, and in transport of a number of soluble gases. Iron is an essential constituent of hemoglobin, cytochrome, and other components of respiratory enzyme systems. Its chief functions are in the transport of oxygen to tissue (hemoglobin) and in cellular oxidation mechanisms. Inorganic iron involved in redox reactions is also found in the iron-sulfur clusters of many enzymes, such as nitrogenase (involved in the synthesis of ammonia from nitrogen and hydrogen) and hydrogenase. A class of non-heme iron proteins is responsible for a wide range of functions such as ribonucleotide reductase (reduces ribose to deoxyribose; DNA biosynthesis) and purple acid phosphatase (hydrolysis of phosphate esters). When the body is fighting a bacterial infection, the body sequesters iron inside of cells (mostly stored in the storage molecule ferritin) so that it cannot be used by bacteria. Depletion of iron stores may result in iron-deficiency anemia. Iron is used to build up the blood in anemia. Humans experience iron toxicity above 20 milligrams of iron for every kilogram of weight, and 60 milligrams per kilogram is a lethal dose. Over-consumption of iron, often the result of children eating large quantities of ferrous sulfate tablets intended for adult consumption, is the most common toxicological cause of death in children under six. The DRI lists the Tolerable Upper Intake Level (UL) for adults as 45 mg/day. For children under fourteen years old the UL is 40 mg/day. Iron is a metal extracted from iron ore, and is almost never found in the free elemental state. |
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Structure | |
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Synonyms | Value | Source |
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FE (II) ion | ChEBI | Fe(II) | ChEBI | Fe2+ | ChEBI | Fe(2+) | ChEBI | Ferrous ion | ChEBI | Iron ion(2+) | ChEBI | Iron(2+) | Kegg | Armco iron | HMDB | Carbonyl iron | HMDB | FE | HMDB | Ferrovac e | HMDB | Hematite | HMDB | Infed | HMDB | Limonite | HMDB | LOHA | HMDB | Magnetite | HMDB | Malleable iron | HMDB | Metopirone | HMDB | Metyrapone | HMDB | PZH2m | HMDB | PZHO | HMDB | Remko | HMDB | Suy-b 2 | HMDB | Taconite | HMDB | Venofer | HMDB | Wrought iron | HMDB | Iron hydroxide (fe(OH)3) | MeSH, HMDB | Iron oxyhydroxide | MeSH, HMDB | Ferric hydroxide | MeSH, HMDB | Iron hydroxide (III) | MeSH, HMDB |
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Chemical Formula | Fe |
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Average Molecular Weight | 55.845 |
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Monoisotopic Molecular Weight | 55.934942133 |
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IUPAC Name | lambda2-iron(2+) ion |
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Traditional Name | lambda2-iron(2+) ion |
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CAS Registry Number | 15438-31-0 |
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SMILES | [Fe++] |
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InChI Identifier | InChI=1S/Fe/q+2 |
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InChI Key | CWYNVVGOOAEACU-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. |
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Kingdom | Inorganic compounds |
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Super Class | Homogeneous metal compounds |
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Class | Homogeneous transition metal compounds |
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Sub Class | Not Available |
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Direct Parent | Homogeneous transition metal compounds |
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Alternative Parents | Not Available |
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Substituents | - Homogeneous transition metal
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Molecular Framework | Not Available |
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External Descriptors | |
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Ontology |
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Not Available | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 1538 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesUnderivatized |
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Spectra |
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| MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fe2+ 10V, Positive-QTOF | splash10-0a4i-9000000000-af3e7aec4f5bd9668683 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fe2+ 20V, Positive-QTOF | splash10-0a4i-9000000000-af3e7aec4f5bd9668683 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fe2+ 40V, Positive-QTOF | splash10-0a4i-9000000000-af3e7aec4f5bd9668683 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fe2+ 10V, Negative-QTOF | splash10-0udi-9000000000-3335fec4c3184739b75e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fe2+ 20V, Negative-QTOF | splash10-0udi-9000000000-3335fec4c3184739b75e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fe2+ 40V, Negative-QTOF | splash10-0udi-9000000000-3335fec4c3184739b75e | 2016-08-03 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | - Extracellular
- Mitochondria
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Biospecimen Locations | - Blood
- Cerebrospinal Fluid (CSF)
- Saliva
- Urine
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Tissue Locations | |
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Pathways | |
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Normal Concentrations |
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Blood | Detected and Quantified | 9766 +/- 1246 uM | Adult (>18 years old) | Both | Normal | | details | Blood | Detected and Quantified | 8050.0 (7500.0-8600.0) uM | Adult (>18 years old) | Female | Normal | | details | Blood | Detected and Quantified | 8950.0 (7900.0-10000.0) uM | Adult (>18 years old) | Male | Normal | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 3.6 +/- 3.6 uM | Elderly (>65 years old) | Both | Normal | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 9.293 +/- 1.140 uM | Adult (>18 years old) | Not Specified | Normal | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 0.8 (0.3-0.5) uM | Adult (>18 years old) | Both | Normal | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 0.783 +/- 0.551 uM | Adult (>18 years old) | Female | Normal | | details | Saliva | Detected and Quantified | 5.918 +/- 2.530 uM | Adult (>18 years old) | Both | Normal | | details | Saliva | Detected and Quantified | 0.448-2.865 uM | Children (1-13 years old) | Both | Normal | | details | Saliva | Detected and Quantified | 84.699 +/- 47.274 uM | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected and Quantified | 80.759 +/- 38.141 uM | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected and Quantified | 13286.776 +/- 7288.0294 uM | Children (1-13 years old) | Both | Normal | | details | Saliva | Detected and Quantified | 18.605 +/- 1.726 uM | Children (1-13 years old) | Not Specified | Normal | | details | Saliva | Detected and Quantified | 5.551 +/- 1.253 uM | Adult (>18 years old) | Not Specified | Normal | | details | Urine | Detected and Quantified | 0.0890 (0.0025-0.4579) umol/mmol creatinine | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 0.11 (0.0-0.14) umol/mmol creatinine | Adult (>18 years old) | Both | Normal | - Geigy Scientific ...
- West Cadwell, N.J...
- Basel, Switzerlan...
| details | Urine | Detected and Quantified | 0.029 (0.014-0.053) umol/mmol creatinine | Adult (>18 years old) | Male | Normal | - Geigy Scientific ...
- West Cadwell, N.J...
- Basel, Switzerlan...
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Abnormal Concentrations |
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Blood | Detected and Quantified | 8631 +/- 1497 uM | Adult (>18 years old) | Both | Multiple sclerosis | | details | Blood | Detected and Quantified | 20.1 +/- 7.7 uM | Adult (>18 years old) | Both | Parkinson's disease | | details | Blood | Detected and Quantified | 16.3 +/- 7.7 uM | Elderly (>65 years old) | Both | Alzheimer's disease | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 0.488 +/- 0.374 uM | Adult (>18 years old) | Not Specified | fibromyalgia | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 1.8 +/- 1.8 uM | Elderly (>65 years old) | Both | Alzheimer's disease | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 2.5 +/- 1.8 uM | Elderly (>65 years old) | Not Specified | Alzheimer's disease | | details | Saliva | Detected and Quantified | 45303.966 +/- 16295.103 uM | Children (1-13 years old) | Both | Thalassemia Major | | details | Saliva | Detected and Quantified | 26877.966 +/- 10940.997 uM | Children (1-13 years old) | Both | Thalassemia intermedia | | details | Saliva | Detected and Quantified | 18103.680 +/- 7370.400 uM | Adolescent (13-18 years old) | Both | Thalassemia Trait | | details | Saliva | Detected and Quantified | 4405.0497 +/- 1790.671 uM | Children (1-13 years old) | Both | Iron Deficiency | | details | Saliva | Detected and Quantified | 24.008 +/- 6.984 uM | Children (1-13 years old) | Not Specified | Iron Deficiency | | details | Saliva | Detected and Quantified | 33.172 +/- 8.529 uM | Children (1-13 years old) | Not Specified | Thalassemia Major | | details | Saliva | Detected and Quantified | 40.971 +/- 9.292 uM | Children (1-13 years old) | Not Specified | Aplastic anemia | | details | Saliva | Detected and Quantified | 2.507 +/- 0.537 uM | Adult (>18 years old) | Not Specified | Oral squamous cell carcinoma | | details | Saliva | Detected and Quantified | 2.686 +/- 1.253 uM | Adult (>18 years old) | Not Specified | Oral squamous cell carcinoma | | details | Saliva | Detected and Quantified | 3.402 +/- 0.537 uM | Adult (>18 years old) | Not Specified | Oral squamous cell carcinoma | | details |
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Associated Disorders and Diseases |
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Disease References | Multiple sclerosis |
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- Forte G, Visconti A, Santucci S, Ghazaryan A, Figa-Talamanca L, Cannoni S, Bocca B, Pino A, Violante N, Alimonti A, Salvetti M, Ristori G: Quantification of chemical elements in blood of patients affected by multiple sclerosis. Ann Ist Super Sanita. 2005;41(2):213-6. [PubMed:16244395 ]
| Parkinson's disease |
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- Forte G, Alimonti A, Pino A, Stanzione P, Brescianini S, Brusa L, Sancesario G, Violante N, Bocca B: Metals and oxidative stress in patients with Parkinson's disease. Ann Ist Super Sanita. 2005;41(2):189-95. [PubMed:16244392 ]
| Alzheimer's disease |
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- Molina JA, Jimenez-Jimenez FJ, Aguilar MV, Meseguer I, Mateos-Vega CJ, Gonzalez-Munoz MJ, de Bustos F, Porta J, Orti-Pareja M, Zurdo M, Barrios E, Martinez-Para MC: Cerebrospinal fluid levels of transition metals in patients with Alzheimer's disease. J Neural Transm (Vienna). 1998;105(4-5):479-88. [PubMed:9720975 ]
- Bocca B, Forte G, Petrucci F, Pino A, Marchione F, Bomboi G, Senofonte O, Giubilei F, Alimonti A: Monitoring of chemical elements and oxidative damage in patients affected by Alzheimer's disease. Ann Ist Super Sanita. 2005;41(2):197-203. [PubMed:16244393 ]
| Fibromyalgia |
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- Ortancil O, Sanli A, Eryuksel R, Basaran A, Ankarali H: Association between serum ferritin level and fibromyalgia syndrome. Eur J Clin Nutr. 2010 Mar;64(3):308-12. doi: 10.1038/ejcn.2009.149. Epub 2010 Jan 20. [PubMed:20087382 ]
| Iron deficiency |
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- Canatan D, Akdeniz SK: Iron and ferritin levels in saliva of patients with thalassemia and iron deficiency anemia. Mediterr J Hematol Infect Dis. 2012;4(1):e2012051. doi: 10.4084/MJHID.2012.051. Epub 2012 Aug 9. [PubMed:22973495 ]
- Mishra OP, Agarwal KN, Agarwal RM: Salivary iron status in children with iron deficiency and iron overload. J Trop Pediatr. 1992 Apr;38(2):64-7. [PubMed:1569637 ]
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Associated OMIM IDs | |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB030855 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 25394 |
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KEGG Compound ID | C14818 |
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BioCyc ID | FE%2b2 |
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BiGG ID | 33552 |
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Wikipedia Link | Iron |
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METLIN ID | Not Available |
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PubChem Compound | 27284 |
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PDB ID | FE2 |
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ChEBI ID | 29033 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | MDB00000221 |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Download (PDF) |
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General References | - Gal S, Fridkin M, Amit T, Zheng H, Youdim MB: M30, a novel multifunctional neuroprotective drug with potent iron chelating and brain selective monoamine oxidase-ab inhibitory activity for Parkinson's disease. J Neural Transm Suppl. 2006;(70):447-56. [PubMed:17017567 ]
- Piga A, Galanello R, Forni GL, Cappellini MD, Origa R, Zappu A, Donato G, Bordone E, Lavagetto A, Zanaboni L, Sechaud R, Hewson N, Ford JM, Opitz H, Alberti D: Randomized phase II trial of deferasirox (Exjade, ICL670), a once-daily, orally-administered iron chelator, in comparison to deferoxamine in thalassemia patients with transfusional iron overload. Haematologica. 2006 Jul;91(7):873-80. [PubMed:16818273 ]
- Nasolodin VV, Zaitseva IP, Gladkikh IP, Voronin SM: [Correction of iron and immune deficiencies in students from a higher humanitarian educational establishment]. Gig Sanit. 2005 Sep-Oct;(5):64-7. [PubMed:16277000 ]
- Custodio PJ, Carvalho ML, Nunes F, Pedroso S, Campos A: Direct analysis of human blood (mothers and newborns) by energy dispersive X-ray fluorescence. J Trace Elem Med Biol. 2005;19(2-3):151-8. Epub 2005 Oct 24. [PubMed:16325530 ]
- Agarwal MB: Exjade (ICL 670): A new oral iron chelator. J Assoc Physicians India. 2006 Mar;54:214-7. [PubMed:16800349 ]
- Cortese S, Konofal E, Lecendreux M, Mouren MC, Bernardina BD: Restless legs syndrome triggered by heart surgery. Pediatr Neurol. 2006 Sep;35(3):223-6. [PubMed:16939866 ]
- Barkova EN, Nazarenko EV, Zhdanova EV: Diurnal variations in qualitative composition of breast milk in women with iron deficiency. Bull Exp Biol Med. 2005 Oct;140(4):394-6. [PubMed:16671562 ]
- Christoforidis A, Haritandi A, Tsitouridis I, Tsatra I, Tsantali H, Karyda S, Dimitriadis AS, Athanassiou-Metaxa M: Correlative study of iron accumulation in liver, myocardium, and pituitary assessed with MRI in young thalassemic patients. J Pediatr Hematol Oncol. 2006 May;28(5):311-5. [PubMed:16772883 ]
- Kom GD, Schwedhelm E, Nielsen P, Boger RH: Increased urinary excretion of 8-iso-prostaglandin F2alpha in patients with HFE-related hemochromatosis: a case-control study. Free Radic Biol Med. 2006 Apr 1;40(7):1194-200. Epub 2005 Dec 13. [PubMed:16545687 ]
- Gerlach M, Double KL, Youdim MB, Riederer P: Potential sources of increased iron in the substantia nigra of parkinsonian patients. J Neural Transm Suppl. 2006;(70):133-42. [PubMed:17017520 ]
- Jost PJ, Stengel SM, Huber W, Sarbia M, Peschel C, Duyster J: Very severe iron-deficiency anemia in a patient with celiac disease and bulimia nervosa: a case report. Int J Hematol. 2005 Nov;82(4):310-1. [PubMed:16298820 ]
- St Pierre TG, Clark PR, Chua-Anusorn W: Measurement and mapping of liver iron concentrations using magnetic resonance imaging. Ann N Y Acad Sci. 2005;1054:379-85. [PubMed:16339686 ]
- Clardy SL, Earley CJ, Allen RP, Beard JL, Connor JR: Ferritin subunits in CSF are decreased in restless legs syndrome. J Lab Clin Med. 2006 Feb;147(2):67-73. [PubMed:16459164 ]
- Grosse R, Lund U, Caruso V, Fischer R, Janka GE, Magnano C, Engelhardt R, Durken M, Nielsen P: Non-transferrin-bound iron during blood transfusion cycles in beta-thalassemia major. Ann N Y Acad Sci. 2005;1054:429-32. [PubMed:16339692 ]
- Anderson LJ, Westwood MA, Prescott E, Walker JM, Pennell DJ, Wonke B: Development of thalassaemic iron overload cardiomyopathy despite low liver iron levels and meticulous compliance to desferrioxamine. Acta Haematol. 2006;115(1-2):106-8. [PubMed:16424659 ]
- Matinaho S, Karhumaki P, Parkkinen J: Bicarbonate inhibits the growth of Staphylococcus epidermidis in platelet concentrates by lowering the level of non-transferrin-bound iron. Transfusion. 2005 Nov;45(11):1768-73. [PubMed:16271102 ]
- Blanck HM, Cogswell ME, Gillespie C, Reyes M: Iron supplement use and iron status among US adults: results from the third National Health and Nutrition Examination Survey. Am J Clin Nutr. 2005 Nov;82(5):1024-31. [PubMed:16280434 ]
- Yarali N, Fisgin T, Duru F, Kara A, Ecin N, Fitoz S, Erden I: Subcutaneous bolus injection of deferoxamine is an alternative method to subcutaneous continuous infusion. J Pediatr Hematol Oncol. 2006 Jan;28(1):11-6. [PubMed:16394886 ]
- Walter PB, Fung EB, Killilea DW, Jiang Q, Hudes M, Madden J, Porter J, Evans P, Vichinsky E, Harmatz P: Oxidative stress and inflammation in iron-overloaded patients with beta-thalassaemia or sickle cell disease. Br J Haematol. 2006 Oct;135(2):254-63. [PubMed:17010049 ]
- Kontoghiorghes GJ, Kolnagou A: Molecular factors and mechanisms affecting iron and other metal excretion or absorption in health and disease: the role of natural and synthetic chelators. Curr Med Chem. 2005;12(23):2695-709. [PubMed:16305466 ]
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