Experimental and theoretical studies on the thermal decomposition of metformin
This work is a first attempt to understand the mechanism of metformin thermal decomposition under inert conditions. Thermal gravimetric analysis coupled with mass spectrometry was used to probe the thermal degradation reactions. Density functional theory and second-order perturbation (MP2) theoretic...
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| Veröffentlicht in: | Journal of thermal analysis and calorimetry 2019-10, Vol.138 (1), p.433-441 |
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| container_title | Journal of thermal analysis and calorimetry |
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| creator | Badran, Ismail Hassan, Azfar Manasrah, Abdallah D. Nassar, Nashaat N. |
| description | This work is a first attempt to understand the mechanism of metformin thermal decomposition under inert conditions. Thermal gravimetric analysis coupled with mass spectrometry was used to probe the thermal degradation reactions. Density functional theory and second-order perturbation (MP2) theoretical calculations were used to construct a reaction mechanism for metformin decomposition. It was evident that the reactions are initiated via formation of methyl radicals, and ammonia via 1.3-H shift, followed by a series of different secondary reaction pathways. The formation of cyanamide, dimethylamine and HCN were among the main secondary products. The proposed mechanism is important for future treatment of wastewater containing metformin and similar drugs formulations, and their possible conversion to useful commodities. |
| doi_str_mv | 10.1007/s10973-019-08213-9 |
| format | Article |
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Thermal gravimetric analysis coupled with mass spectrometry was used to probe the thermal degradation reactions. Density functional theory and second-order perturbation (MP2) theoretical calculations were used to construct a reaction mechanism for metformin decomposition. It was evident that the reactions are initiated via formation of methyl radicals, and ammonia via 1.3-H shift, followed by a series of different secondary reaction pathways. The formation of cyanamide, dimethylamine and HCN were among the main secondary products. The proposed mechanism is important for future treatment of wastewater containing metformin and similar drugs formulations, and their possible conversion to useful commodities.</description><identifier>ISSN: 1388-6150</identifier><identifier>EISSN: 1588-2926</identifier><identifier>DOI: 10.1007/s10973-019-08213-9</identifier><language>eng</language><publisher>Cham: Springer International Publishing</publisher><subject>Ammonia ; Analytical Chemistry ; Chemistry ; Chemistry and Materials Science ; Commodities ; Decomposition ; Decomposition reactions ; Density functional theory ; Formulations ; Gravimetric analysis ; Inorganic Chemistry ; Mass spectrometry ; Measurement Science and Instrumentation ; Metformin ; Methyl radicals ; Perturbation methods ; Physical Chemistry ; Polymer Sciences ; Reaction mechanisms ; Thermal decomposition ; Thermal degradation ; Wastewater treatment</subject><ispartof>Journal of thermal analysis and calorimetry, 2019-10, Vol.138 (1), p.433-441</ispartof><rights>Akadémiai Kiadó, Budapest, Hungary 2019</rights><rights>COPYRIGHT 2019 Springer</rights><rights>Copyright Springer Nature B.V. 2019</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c429t-1f307ab5641adc60847ea33b24e2e0bc88f9c7f252de013abb7326895ec4e3c03</citedby><cites>FETCH-LOGICAL-c429t-1f307ab5641adc60847ea33b24e2e0bc88f9c7f252de013abb7326895ec4e3c03</cites><orcidid>0000-0001-9014-542X</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s10973-019-08213-9$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s10973-019-08213-9$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,776,780,27901,27902,41464,42533,51294</link.rule.ids></links><search><creatorcontrib>Badran, Ismail</creatorcontrib><creatorcontrib>Hassan, Azfar</creatorcontrib><creatorcontrib>Manasrah, Abdallah D.</creatorcontrib><creatorcontrib>Nassar, Nashaat N.</creatorcontrib><title>Experimental and theoretical studies on the thermal decomposition of metformin</title><title>Journal of thermal analysis and calorimetry</title><addtitle>J Therm Anal Calorim</addtitle><description>This work is a first attempt to understand the mechanism of metformin thermal decomposition under inert conditions. Thermal gravimetric analysis coupled with mass spectrometry was used to probe the thermal degradation reactions. Density functional theory and second-order perturbation (MP2) theoretical calculations were used to construct a reaction mechanism for metformin decomposition. It was evident that the reactions are initiated via formation of methyl radicals, and ammonia via 1.3-H shift, followed by a series of different secondary reaction pathways. The formation of cyanamide, dimethylamine and HCN were among the main secondary products. The proposed mechanism is important for future treatment of wastewater containing metformin and similar drugs formulations, and their possible conversion to useful commodities.</description><subject>Ammonia</subject><subject>Analytical Chemistry</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Commodities</subject><subject>Decomposition</subject><subject>Decomposition reactions</subject><subject>Density functional theory</subject><subject>Formulations</subject><subject>Gravimetric analysis</subject><subject>Inorganic Chemistry</subject><subject>Mass spectrometry</subject><subject>Measurement Science and Instrumentation</subject><subject>Metformin</subject><subject>Methyl radicals</subject><subject>Perturbation methods</subject><subject>Physical Chemistry</subject><subject>Polymer Sciences</subject><subject>Reaction mechanisms</subject><subject>Thermal decomposition</subject><subject>Thermal degradation</subject><subject>Wastewater treatment</subject><issn>1388-6150</issn><issn>1588-2926</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNp9kU1LAzEQhhdRsFb_gKeCJw9bJ8l-5VhK1UJR8OMcstlJTeluapJC_fdmXUF6kRAymTzvZJg3Sa4JTAlAeecJ8JKlQHgKFSUs5SfJiORVlVJOi9MYsxgXJIfz5ML7DQBwDmSUPC0OO3SmxS7I7UR2zSR8oHUYjIp3H_aNQT-xXZ_ut2tjukFl2531Jpj4YvWkxaCta013mZxpufV49XuOk_f7xdv8MV09Pyzns1WqMspDSjSDUtZ5kRHZqAKqrETJWE0zpAi1qirNValpThsEwmRdl4wWFc9RZcgUsHFyM9TdOfu5Rx_Exu5dF78UlPKKlBwyHqnpQK3lFoXptA1OqrgabI2yHWoT87MiDiMnQPMouD0SRCbgIazl3nuxfH05ZunAKme9d6jFLs5Rui9BQPSmiMEUEU0RP6aIviM2iHyEuzW6v77_UX0DmtyOsA</recordid><startdate>20191001</startdate><enddate>20191001</enddate><creator>Badran, Ismail</creator><creator>Hassan, Azfar</creator><creator>Manasrah, Abdallah D.</creator><creator>Nassar, Nashaat N.</creator><general>Springer International Publishing</general><general>Springer</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>ISR</scope><orcidid>https://orcid.org/0000-0001-9014-542X</orcidid></search><sort><creationdate>20191001</creationdate><title>Experimental and theoretical studies on the thermal decomposition of metformin</title><author>Badran, Ismail ; Hassan, Azfar ; Manasrah, Abdallah D. ; Nassar, Nashaat N.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c429t-1f307ab5641adc60847ea33b24e2e0bc88f9c7f252de013abb7326895ec4e3c03</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Ammonia</topic><topic>Analytical Chemistry</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Commodities</topic><topic>Decomposition</topic><topic>Decomposition reactions</topic><topic>Density functional theory</topic><topic>Formulations</topic><topic>Gravimetric analysis</topic><topic>Inorganic Chemistry</topic><topic>Mass spectrometry</topic><topic>Measurement Science and Instrumentation</topic><topic>Metformin</topic><topic>Methyl radicals</topic><topic>Perturbation methods</topic><topic>Physical Chemistry</topic><topic>Polymer Sciences</topic><topic>Reaction mechanisms</topic><topic>Thermal decomposition</topic><topic>Thermal degradation</topic><topic>Wastewater treatment</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Badran, Ismail</creatorcontrib><creatorcontrib>Hassan, Azfar</creatorcontrib><creatorcontrib>Manasrah, Abdallah D.</creatorcontrib><creatorcontrib>Nassar, Nashaat N.</creatorcontrib><collection>CrossRef</collection><collection>Gale In Context: Science</collection><jtitle>Journal of thermal analysis and calorimetry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Badran, Ismail</au><au>Hassan, Azfar</au><au>Manasrah, Abdallah D.</au><au>Nassar, Nashaat N.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Experimental and theoretical studies on the thermal decomposition of metformin</atitle><jtitle>Journal of thermal analysis and calorimetry</jtitle><stitle>J Therm Anal Calorim</stitle><date>2019-10-01</date><risdate>2019</risdate><volume>138</volume><issue>1</issue><spage>433</spage><epage>441</epage><pages>433-441</pages><issn>1388-6150</issn><eissn>1588-2926</eissn><abstract>This work is a first attempt to understand the mechanism of metformin thermal decomposition under inert conditions. 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| subjects | Ammonia Analytical Chemistry Chemistry Chemistry and Materials Science Commodities Decomposition Decomposition reactions Density functional theory Formulations Gravimetric analysis Inorganic Chemistry Mass spectrometry Measurement Science and Instrumentation Metformin Methyl radicals Perturbation methods Physical Chemistry Polymer Sciences Reaction mechanisms Thermal decomposition Thermal degradation Wastewater treatment |
| title | Experimental and theoretical studies on the thermal decomposition of metformin |
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