Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2006-05-22 15:12:05 UTC |
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Update Date | 2020-04-22 23:29:35 UTC |
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HMDB ID | HMDB0002714 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Methane |
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Description | Methane (CH4), is a gas produced by a group of colonic anaerobes, absorbed from the colon and excreted in expired air. As a result, breath CH4 excretion can be used as an indicator of the in situ activity of the methanogenic flora. All CH4 produced in human beings is a metabolic product of intestinal bacteria, and about 50% of CH4 produced in the gut is absorbed and excreted in expired air. Because there appears to be no catabolism of this gas by other colonic organisms or host cells, breath CH4 measurements provide a rapid, simple means of semi quantitatively assessing the ongoing in situ metabolism of the methanogenic flora. It could seem likely that the intracolonic activity of a variety of bacteria similarly might be assessed quantitatively via analysis of expired air. However, the application of this methodology has been confounded by the rapid catabolism of many volatile bacterial products by other bacteria or human tissue. A striking aspect of the studies of breath CH4 measurements is the enormous individual variations in the excretion of this gas. Virtually all children under 5 years of age and 66% of the adult population do not exhale appreciable quantities of CH4. The remaining 34% of the adult population has appreciable breath methane concentrations of up to 80 ppm (mean, 15.2 ppm; median, 11.8 ppm). On this basis the population can be divided into CH4 producers or nonproducers, although a more accurate term would be to define subjects as being low or high CH4 producers. The primary methanogen present in the human colon, Methanobrevibacter smithii, produces methane via a reaction that relies entirely on H2 produced by other organisms to reduce CO2 to CH4. Thus, breath CH4 concentrations might be expected to mirror breath H2 concentrations; however, the high levels of CH4 observed in the fasting state may result from H2 derived from endogenous rather than dietary substrates. A diverse assortment of conditions has been associated with a high prevalence of methane producers including diverticulosis, cystic fibrosis, high fasting serum cholesterol levels, encopresis in children, and aorto-iliac vascular disease, whereas obesity (measured as skin-fold thickness) was related inversely to methane production. The challenge that remains is to determine to what extent methanogens actively influence body physiology vs. simply serve as passive indicators of colonic function. (PMID: 16469670 , Clinical Gastroenterology and Hepatology Volume 4, Issue 2, February 2006, Pages 123-129). Methane can be found in Desulfovibrio, Methanobacterium, Methanobrevibacter, Methanococcus, Methanocorpusculum, Methanoculleus, Methanoflorens, Methanofollis, Methanogenium, Methanomicrobium, Methanopyrus, Methanoregula, Methanosaeta, Methanosarcina, Methanosphaera, Methanospirillium, Methanothermobacter (Wikipedia ). |
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Structure | |
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Synonyms | Value | Source |
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CH4 | ChEBI | Marsh gas | ChEBI | Metano | ChEBI | Methan | ChEBI | Methyl hydride | ChEBI | Acticarbone | HMDB | Adsorbit | HMDB | Anthrasorb | HMDB | Aquadag | HMDB | Aroflow | HMDB | Arogen | HMDB | Arotone | HMDB | Arovel | HMDB | Arrow | HMDB | Atlantic | HMDB | Biogas | HMDB | Cancarb | HMDB | Canesorb | HMDB | Canlub | HMDB | Carbene | HMDB | Carbodis | HMDB | Carbolac | HMDB | Carbomet | HMDB | Carbone | HMDB | Carbonium | HMDB | Carbono | HMDB | Carbosieve | HMDB | Cecarbon | HMDB | Collocarb | HMDB | Conductex | HMDB | Continex | HMDB | Croflex | HMDB | Crolac | HMDB | Darco | HMDB | Degussa | HMDB | Electrographite | HMDB | Elftex | HMDB | Essex | HMDB | Excelsior | HMDB | Farbruss | HMDB | Fecto | HMDB | Filtrasorb | HMDB | Fire dAMP | HMDB | Flamruss | HMDB | Furnal | HMDB | Furnex | HMDB | Gastex | HMDB | Grafoil | HMDB | Grosafe | HMDB | Huber | HMDB | Humenegro | HMDB | Hydrodarco | HMDB | Kohlenstoff | HMDB | Korobon | HMDB | Kosmink | HMDB | Kosmobil | HMDB | Kosmolak | HMDB | Kosmos | HMDB | Kosmotherm | HMDB | Kosmovar | HMDB | Lampblack | HMDB | Magecol | HMDB | Metanex | HMDB | Methane in gaseus STate | HMDB | Methylene | HMDB | Methylidyne | HMDB | Micronex | HMDB | Modulex | HMDB | Molacco | HMDB | Neotex | HMDB | Nuchar | HMDB | Papyex | HMDB | Pelletex | HMDB | Philblack | HMDB | Plumbago | HMDB | Printex | HMDB | R 50 | HMDB | Rebonex | HMDB | Schungite | HMDB | Sevacarb | HMDB | Shungite | HMDB | Spheron | HMDB | Statex | HMDB | Superba | HMDB | Thermatomic | HMDB | Thermax | HMDB | Thermblack | HMDB | Tinolite | HMDB | Watercarb | HMDB |
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Chemical Formula | CH4 |
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Average Molecular Weight | 16.0425 |
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Monoisotopic Molecular Weight | 16.031300128 |
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IUPAC Name | methane |
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Traditional Name | methane |
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CAS Registry Number | 74-82-8 |
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SMILES | C |
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InChI Identifier | InChI=1S/CH4/h1H4 |
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InChI Key | VNWKTOKETHGBQD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Hydrocarbons |
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Class | Saturated hydrocarbons |
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Sub Class | Alkanes |
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Direct Parent | Alkanes |
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Alternative Parents | Not Available |
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Substituents | - Acyclic alkane
- Alkane
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Liquid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | -182.4 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.022 mg/mL at 25 °C | Not Available | LogP | 1.09 | HANSCH,C ET AL. (1995) |
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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 IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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Methane | C | 692.5 | Standard polar | 33892256 | Methane | C | 229.2 | Standard non polar | 33892256 | Methane | C | 68.1 | Semi standard non polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Methane EI-B (Non-derivatized) | splash10-014i-9000000000-42e2bf163f3e1178d2b7 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Methane EI-B (Non-derivatized) | splash10-014i-9000000000-42e2bf163f3e1178d2b7 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Methane GC-MS (Non-derivatized) - 70eV, Positive | splash10-014i-9000000000-c8167f7817582bf388a4 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Methane GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Methane GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-014i-9000000000-349ab823203cc040e2ee | 2014-09-20 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 10V, Positive-QTOF | splash10-014i-9000000000-9d8342b86bcfe423c16e | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 20V, Positive-QTOF | splash10-014i-9000000000-9d8342b86bcfe423c16e | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 40V, Positive-QTOF | splash10-014i-9000000000-9d8342b86bcfe423c16e | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 10V, Negative-QTOF | splash10-014i-9000000000-c888af3d1348fef91ee6 | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 20V, Negative-QTOF | splash10-014i-9000000000-c888af3d1348fef91ee6 | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 40V, Negative-QTOF | splash10-014i-9000000000-c888af3d1348fef91ee6 | 2015-09-15 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 10V, Negative-QTOF | splash10-014i-9000000000-996987cf9a722fe9a805 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 20V, Negative-QTOF | splash10-014i-9000000000-996987cf9a722fe9a805 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 40V, Negative-QTOF | splash10-014i-9000000000-996987cf9a722fe9a805 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 10V, Positive-QTOF | splash10-014i-9000000000-cc06d3599ff6d095d471 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 20V, Positive-QTOF | splash10-014i-9000000000-cc06d3599ff6d095d471 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Methane 40V, Positive-QTOF | splash10-014i-9000000000-cc06d3599ff6d095d471 | 2021-09-22 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Tissue Locations | - Adipose Tissue
- Fibroblasts
- Intestine
- Kidney
- Liver
- Platelet
- Skeletal Muscle
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Pathways | |
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Normal Concentrations |
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Blood | Expected but not Quantified | Not Quantified | Not Available | Not Available | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Urine | Expected but not Quantified | Not Quantified | Not Available | Not Available | Normal | | details |
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Abnormal Concentrations |
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Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Ulcerative colitis | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Crohn's disease | | details |
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Associated Disorders and Diseases |
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Disease References | Ulcerative colitis |
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- De Preter V, Machiels K, Joossens M, Arijs I, Matthys C, Vermeire S, Rutgeerts P, Verbeke K: Faecal metabolite profiling identifies medium-chain fatty acids as discriminating compounds in IBD. Gut. 2015 Mar;64(3):447-58. doi: 10.1136/gutjnl-2013-306423. Epub 2014 May 8. [PubMed:24811995 ]
| Crohn's disease |
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- De Preter V, Machiels K, Joossens M, Arijs I, Matthys C, Vermeire S, Rutgeerts P, Verbeke K: Faecal metabolite profiling identifies medium-chain fatty acids as discriminating compounds in IBD. Gut. 2015 Mar;64(3):447-58. doi: 10.1136/gutjnl-2013-306423. Epub 2014 May 8. [PubMed:24811995 ]
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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 | FDB023051 |
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KNApSAcK ID | C00045198 |
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Chemspider ID | 291 |
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KEGG Compound ID | C01438 |
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BioCyc ID | CH4 |
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BiGG ID | Not Available |
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Wikipedia Link | Methane |
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METLIN ID | 3190 |
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PubChem Compound | 297 |
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PDB ID | Not Available |
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ChEBI ID | 16183 |
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Food Biomarker Ontology | Not Available |
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VMH ID | CH4 |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Tamaura, Yutaka. Method for manufacture of methane. Jpn. Kokai Tokkyo Koho (1994), 9 pp. |
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Material Safety Data Sheet (MSDS) | Download (PDF) |
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General References | - Minh NH, Someya M, Minh TB, Kunisue T, Iwata H, Watanabe M, Tanabe S, Viet PH, Tuyen BC: Persistent organochlorine residues in human breast milk from Hanoi and Hochiminh City, Vietnam: contamination, accumulation kinetics and risk assessment for infants. Environ Pollut. 2004 Jun;129(3):431-41. [PubMed:15016464 ]
- Castelain P, Van Hummelen P, Deleener A, Kirsch-Volders M: Automated detection of cytochalasin-B blocked binucleated lymphocytes for scoring micronuclei. Mutagenesis. 1993 Jul;8(4):285-93. [PubMed:7690875 ]
- Rumessen JJ, Gudmand-Hoyer E: Fructans of chicory: intestinal transport and fermentation of different chain lengths and relation to fructose and sorbitol malabsorption. Am J Clin Nutr. 1998 Aug;68(2):357-64. [PubMed:9701194 ]
- Florin TH, Woods HJ: Inhibition of methanogenesis by human bile. Gut. 1995 Sep;37(3):418-21. [PubMed:7590441 ]
- Tsai WB, Shi Q, Grunkemeier JM, McFarland C, Horbett TA: Platelet adhesion to radiofrequency glow-discharge-deposited fluorocarbon polymers preadsorbed with selectively depleted plasmas show the primary role of fibrinogen. J Biomater Sci Polym Ed. 2004;15(7):817-40. [PubMed:15318794 ]
- Bernalier A, Willems A, Leclerc M, Rochet V, Collins MD: Ruminococcus hydrogenotrophicus sp. nov., a new H2/CO2-utilizing acetogenic bacterium isolated from human feces. Arch Microbiol. 1996 Sep;166(3):176-83. [PubMed:8703194 ]
- Ringvoll J, Nordstrand LM, Vagbo CB, Talstad V, Reite K, Aas PA, Lauritzen KH, Liabakk NB, Bjork A, Doughty RW, Falnes PO, Krokan HE, Klungland A: Repair deficient mice reveal mABH2 as the primary oxidative demethylase for repairing 1meA and 3meC lesions in DNA. EMBO J. 2006 May 17;25(10):2189-98. Epub 2006 Apr 27. [PubMed:16642038 ]
- Poyart C, Bursaux E, Freminet A, Bertin M: Interactions of short chain aliphatic hydrocarbons with human blood and haemoglobin A solutions. Biomedicine. 1976 Jul;25(6):224-7. [PubMed:963185 ]
- Rabot S, Viso M, Martin F, Blanquie JP, Popot F, Bensaada M, Vaissade P, Searby N, Szylit O: Effects of chair-restraint on gastrointestinal transit time and colonic fermentation in male rhesus monkey (Macaca mulatta). J Med Primatol. 1997 Aug;26(4):190-5. [PubMed:9416569 ]
- Kresimon J, Gruter UM, Hirner AV: HG/LT-GC/ICP-MS coupling for identification of metal(loid) species in human urine after fish consumption. Fresenius J Anal Chem. 2001 Nov;371(5):586-90. [PubMed:11767883 ]
- Nakamura M, Ueki S, Hara H, Arata T: Calcium structural transition of human cardiac troponin C in reconstituted muscle fibres as studied by site-directed spin labelling. J Mol Biol. 2005 Apr 22;348(1):127-37. [PubMed:15808858 ]
- Kayar SR, Miller TL, Wolin MJ, Aukhert EO, Axley MJ, Kiesow LA: Decompression sickness risk in rats by microbial removal of dissolved gas. Am J Physiol. 1998 Sep;275(3 Pt 2):R677-82. [PubMed:9728062 ]
- Chien YH, Bau DT, Jan KY: Nitric oxide inhibits DNA-adduct excision in nucleotide excision repair. Free Radic Biol Med. 2004 Apr 15;36(8):1011-7. [PubMed:15059641 ]
- Eastwood MA, Brydon WG, Anderson DM: The effects of dietary gum karaya (Sterculia) in man. Toxicol Lett. 1983 Jun;17(1-2):159-66. [PubMed:6623502 ]
- Supko JG, Malspeis L: Characterization of the urinary metabolites of merbarone in cancer patients. Drug Metab Dispos. 1991 Jan-Feb;19(1):263-73. [PubMed:1673412 ]
- Escobar R, Cano Pavon JM: Selective spectrophotometric determination of trace amounts of iron with di(2-pyridyl)-NN-di[(8-quinolyl)amino]methane: determination of iron in blood serum. Analyst. 1983 Jul;108(1288):821-6. [PubMed:6614500 ]
- Wolever TM, Fernandes J, Rao VA, Chiasson JL, Josse RG, Leiter LA: Positive methane-producing status associated with increased serum cholesterol in subjects with impaired glucose tolerance. Diabetes Care. 1995 Jul;18(7):1010-2. [PubMed:7555532 ]
- Masson P, Marnot B, Lombard JY, Morelis P: [Electrophoretic study of aged butyrylcholinesterase after inhibition by soman]. Biochimie. 1984 Mar;66(3):235-49. [PubMed:6331528 ]
- Sudaryanto A, Kunisue T, Tanabe S, Niida M, Hashim H: Persistent organochlorine compounds in human breast milk from mothers living in Penang and Kedah, Malaysia. Arch Environ Contam Toxicol. 2005 Oct;49(3):429-37. Epub 2005 Aug 24. [PubMed:16132420 ]
- Nagao M, Takatori T, Oono T, Iwase H, Iwadate K, Yamada Y, Nakajima M: Death due to a methane gas explosion in a tunnel on urban reclaimed land. Am J Forensic Med Pathol. 1997 Jun;18(2):135-9. [PubMed:9185928 ]
- Levitt MD, Furne JK, Kuskowski M, Ruddy J: Stability of human methanogenic flora over 35 years and a review of insights obtained from breath methane measurements. Clin Gastroenterol Hepatol. 2006 Feb;4(2):123-9. [PubMed:16469670 ]
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