Mathematical modeling of RDX and HMX metabolism in poplar (Populus deltoides x Populus nigra, DN34) tissue culture.
Identifieur interne : 004234 ( Main/Exploration ); précédent : 004233; suivant : 004235Mathematical modeling of RDX and HMX metabolism in poplar (Populus deltoides x Populus nigra, DN34) tissue culture.
Auteurs : Melissa P. Mezzari [États-Unis] ; Benoit Van Aken ; Jong M. Yoon ; Craig L. Just ; Jerald L. SchnoorSource :
- International journal of phytoremediation [ 1522-6514 ] ; 2004.
Descripteurs français
- KwdFr :
- MESH :
English descriptors
- KwdEn :
- MESH :
- chemical , metabolism : Azocines, Heterocyclic Compounds, 1-Ring, Triazines.
- metabolism : Populus.
- Biodegradation, Environmental, Models, Biological, Tissue Culture Techniques.
Abstract
Three mathematical models were developed based on a fate study as an approach to define transformation pathways of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) within plant cells. [U-14C]RDX and [U-14C]HMX were added in Murashige and Skoog (MS) liquid media containing Populus deltoides x P. nigra (DN34) tissue cultures. Radioactivity of samples was analyzed using HPLC, a bio-oxidizer and liquid scintillation counter. Based on information collected, transformation pathways of nitramine compounds were fitted with the raw data obtained and using a modified "green liver" model. Ordinary differential equations were developed and simulations were performed with MicroMath Scientist version 2.0 (MicroMath Inc., St. Louis, MO, USA). The three models, with different sequential transformation processes, were tested in order to support the raw data (model I) and the assumptions of the modified "green liver" model (models II and III). The results showed a high correlation between the collected data and the simulated concentrations for all models. Thus, the simplest model developed (model I) is the best model description of these particular results. The results obtained suggest that the principle of parsimony should be applied. The "green liver"-based models also demonstrated a reliable approach for the investigation of degradation pathways of nitramines within plant cells.
DOI: 10.1080/16226510490888839
PubMed: 15696705
Affiliations:
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Mezzari</name><affiliation wicri:level="4"><nlm:affiliation>Department of Civil and Environmental Engineering, The University of Iowa, Iowa City, Iowa 52242, USA.</nlm:affiliation><country xml:lang="fr">États-Unis</country><wicri:regionArea>Department of Civil and Environmental Engineering, The University of Iowa, Iowa City, Iowa 52242</wicri:regionArea><orgName type="university">Université de l'Iowa</orgName><placeName><settlement type="city">Iowa City</settlement><region type="state">Iowa</region></placeName></affiliation></author><author><name sortKey="Van Aken, Benoit" sort="Van Aken, Benoit" uniqKey="Van Aken B" first="Benoit" last="Van Aken">Benoit Van Aken</name></author><author><name sortKey="Yoon, Jong M" sort="Yoon, Jong M" uniqKey="Yoon J" first="Jong M" last="Yoon">Jong M. Yoon</name></author><author><name sortKey="Just, Craig L" sort="Just, Craig L" uniqKey="Just C" first="Craig L" last="Just">Craig L. Just</name></author><author><name sortKey="Schnoor, Jerald L" sort="Schnoor, Jerald L" uniqKey="Schnoor J" first="Jerald L" last="Schnoor">Jerald L. 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Just</name></author><author><name sortKey="Schnoor, Jerald L" sort="Schnoor, Jerald L" uniqKey="Schnoor J" first="Jerald L" last="Schnoor">Jerald L. Schnoor</name></author></analytic><series><title level="j">International journal of phytoremediation</title><idno type="ISSN">1522-6514</idno><imprint><date when="2004" type="published">2004</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Azocines (metabolism)</term><term>Biodegradation, Environmental (MeSH)</term><term>Heterocyclic Compounds, 1-Ring (metabolism)</term><term>Models, Biological (MeSH)</term><term>Populus (metabolism)</term><term>Tissue Culture Techniques (MeSH)</term><term>Triazines (metabolism)</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Azocines (métabolisme)</term><term>Composés hétéromonocycliques (métabolisme)</term><term>Dépollution biologique de l'environnement (MeSH)</term><term>Modèles biologiques (MeSH)</term><term>Populus (métabolisme)</term><term>Techniques de culture de tissus (MeSH)</term><term>Triazines (métabolisme)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="metabolism" xml:lang="en"><term>Azocines</term><term>Heterocyclic Compounds, 1-Ring</term><term>Triazines</term></keywords><keywords scheme="MESH" qualifier="metabolism" xml:lang="en"><term>Populus</term></keywords><keywords scheme="MESH" qualifier="métabolisme" xml:lang="fr"><term>Azocines</term><term>Composés hétéromonocycliques</term><term>Populus</term><term>Triazines</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Biodegradation, Environmental</term><term>Models, Biological</term><term>Tissue Culture Techniques</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Dépollution biologique de l'environnement</term><term>Modèles biologiques</term><term>Techniques de culture de tissus</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Three mathematical models were developed based on a fate study as an approach to define transformation pathways of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) within plant cells. [U-14C]RDX and [U-14C]HMX were added in Murashige and Skoog (MS) liquid media containing Populus deltoides x P. nigra (DN34) tissue cultures. Radioactivity of samples was analyzed using HPLC, a bio-oxidizer and liquid scintillation counter. Based on information collected, transformation pathways of nitramine compounds were fitted with the raw data obtained and using a modified "green liver" model. Ordinary differential equations were developed and simulations were performed with MicroMath Scientist version 2.0 (MicroMath Inc., St. Louis, MO, USA). The three models, with different sequential transformation processes, were tested in order to support the raw data (model I) and the assumptions of the modified "green liver" model (models II and III). The results showed a high correlation between the collected data and the simulated concentrations for all models. Thus, the simplest model developed (model I) is the best model description of these particular results. The results obtained suggest that the principle of parsimony should be applied. The "green liver"-based models also demonstrated a reliable approach for the investigation of degradation pathways of nitramines within plant cells.</div></front></TEI><pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">15696705</PMID><DateCompleted><Year>2005</Year><Month>03</Month><Day>29</Day></DateCompleted><DateRevised><Year>2012</Year><Month>11</Month><Day>15</Day></DateRevised><Article PubModel="Print"><Journal><ISSN IssnType="Print">1522-6514</ISSN><JournalIssue CitedMedium="Print"><Volume>6</Volume><Issue>4</Issue><PubDate><Year>2004</Year></PubDate></JournalIssue><Title>International journal of phytoremediation</Title><ISOAbbreviation>Int J Phytoremediation</ISOAbbreviation></Journal><ArticleTitle>Mathematical modeling of RDX and HMX metabolism in poplar (Populus deltoides x Populus nigra, DN34) tissue culture.</ArticleTitle><Pagination><MedlinePgn>323-45</MedlinePgn></Pagination><Abstract><AbstractText>Three mathematical models were developed based on a fate study as an approach to define transformation pathways of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) within plant cells. [U-14C]RDX and [U-14C]HMX were added in Murashige and Skoog (MS) liquid media containing Populus deltoides x P. nigra (DN34) tissue cultures. Radioactivity of samples was analyzed using HPLC, a bio-oxidizer and liquid scintillation counter. Based on information collected, transformation pathways of nitramine compounds were fitted with the raw data obtained and using a modified "green liver" model. Ordinary differential equations were developed and simulations were performed with MicroMath Scientist version 2.0 (MicroMath Inc., St. Louis, MO, USA). The three models, with different sequential transformation processes, were tested in order to support the raw data (model I) and the assumptions of the modified "green liver" model (models II and III). The results showed a high correlation between the collected data and the simulated concentrations for all models. Thus, the simplest model developed (model I) is the best model description of these particular results. The results obtained suggest that the principle of parsimony should be applied. The "green liver"-based models also demonstrated a reliable approach for the investigation of degradation pathways of nitramines within plant cells.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Mezzari</LastName><ForeName>Melissa P</ForeName><Initials>MP</Initials><AffiliationInfo><Affiliation>Department of Civil and Environmental Engineering, The University of Iowa, Iowa City, Iowa 52242, USA.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Van Aken</LastName><ForeName>Benoit</ForeName><Initials>B</Initials></Author><Author ValidYN="Y"><LastName>Yoon</LastName><ForeName>Jong M</ForeName><Initials>JM</Initials></Author><Author ValidYN="Y"><LastName>Just</LastName><ForeName>Craig L</ForeName><Initials>CL</Initials></Author><Author ValidYN="Y"><LastName>Schnoor</LastName><ForeName>Jerald L</ForeName><Initials>JL</Initials></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType><PublicationType UI="D013485">Research Support, Non-U.S. Gov't</PublicationType></PublicationTypeList></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>Int J Phytoremediation</MedlineTA><NlmUniqueID>101136878</NlmUniqueID><ISSNLinking>1522-6514</ISSNLinking></MedlineJournalInfo><ChemicalList><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D001392">Azocines</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D006573">Heterocyclic Compounds, 1-Ring</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D014227">Triazines</NameOfSubstance></Chemical><Chemical><RegistryNumber>LLW94W5BSJ</RegistryNumber><NameOfSubstance UI="C007950">octogen</NameOfSubstance></Chemical><Chemical><RegistryNumber>W91SSV5831</RegistryNumber><NameOfSubstance UI="C009160">cyclonite</NameOfSubstance></Chemical></ChemicalList><CitationSubset>IM</CitationSubset><MeshHeadingList><MeshHeading><DescriptorName UI="D001392" MajorTopicYN="N">Azocines</DescriptorName><QualifierName UI="Q000378" MajorTopicYN="Y">metabolism</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D001673" MajorTopicYN="N">Biodegradation, Environmental</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D006573" MajorTopicYN="N">Heterocyclic Compounds, 1-Ring</DescriptorName><QualifierName UI="Q000378" MajorTopicYN="Y">metabolism</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D008954" MajorTopicYN="N">Models, Biological</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D032107" MajorTopicYN="N">Populus</DescriptorName><QualifierName UI="Q000378" MajorTopicYN="Y">metabolism</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D046509" MajorTopicYN="N">Tissue Culture Techniques</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D014227" MajorTopicYN="N">Triazines</DescriptorName><QualifierName UI="Q000378" MajorTopicYN="Y">metabolism</QualifierName></MeshHeading></MeshHeadingList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="pubmed"><Year>2005</Year><Month>2</Month><Day>9</Day><Hour>9</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2005</Year><Month>3</Month><Day>30</Day><Hour>9</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2005</Year><Month>2</Month><Day>9</Day><Hour>9</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">15696705</ArticleId><ArticleId IdType="doi">10.1080/16226510490888839</ArticleId></ArticleIdList></PubmedData></pubmed><affiliations><list><country><li>États-Unis</li></country><region><li>Iowa</li></region><settlement><li>Iowa City</li></settlement><orgName><li>Université de l'Iowa</li></orgName></list><tree><noCountry><name sortKey="Just, Craig L" sort="Just, Craig L" uniqKey="Just C" first="Craig L" last="Just">Craig L. Just</name><name sortKey="Schnoor, Jerald L" sort="Schnoor, Jerald L" uniqKey="Schnoor J" first="Jerald L" last="Schnoor">Jerald L. Schnoor</name><name sortKey="Van Aken, Benoit" sort="Van Aken, Benoit" uniqKey="Van Aken B" first="Benoit" last="Van Aken">Benoit Van Aken</name><name sortKey="Yoon, Jong M" sort="Yoon, Jong M" uniqKey="Yoon J" first="Jong M" last="Yoon">Jong M. Yoon</name></noCountry><country name="États-Unis"><region name="Iowa"><name sortKey="Mezzari, Melissa P" sort="Mezzari, Melissa P" uniqKey="Mezzari M" first="Melissa P" last="Mezzari">Melissa P. Mezzari</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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