Extraction and characterization of l-carnitine in avocado (Persea americana) through instrumental and computational techniques
The purpose of this study was the extraction and characterization of l-carnitinefrom avocado (Persea americana) with the use of computational and instrumen-tal techniques. l carnitine was quantified by uv/vis spectroscopy from two avo-cado varieties (fuerte and booth 8). it was found that the booth...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Pamela Carrillo S. [verfasserIn] Lorena Meneses O. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Spanisch |
| Erschienen: |
2013 |
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| Übergeordnetes Werk: |
In: infoANALITÍCA - Pontificia Universidad Católica del Ecuador, 2019, 1(2013), 1 |
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| Übergeordnetes Werk: |
volume:1 ; year:2013 ; number:1 |
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| 520 | |a The purpose of this study was the extraction and characterization of l-carnitinefrom avocado (Persea americana) with the use of computational and instrumen-tal techniques. l carnitine was quantified by uv/vis spectroscopy from two avo-cado varieties (fuerte and booth 8). it was found that the booth 8 varietycontains 84 μg of l-carnitine/gram of fresh fruit, while fuerte has 82 μg/g. thekinetics of the acetylation reaction was determined with the use of infraredspectroscopy. therefore, the reaction is second global order with a rate constantof 4.45x10-4l/mol·s a 298±2K. the thermodynamic analysis of the reaction,the determination of the reaction mechanism and the analysis of the reactivityand selectivity of the reactant molecules through computational techniqueswith the b3lYP method and the 6-311g (d,p) basis set were executed. the re-action enthalpy in the gas phase was –8.2 kcal/mol and –4.1 kcal/mol in theaqueous phase. it was established that the acetylation reaction is produced bya nucleophilic attack of the hydrochloride l-carnitine to the acetyl chloride,going through a tetrahedral transition state which ends with the elimination ofchloride acid. also, it was determined that the l-carnitine is a nucleophilic mo-lecule with the oxygen as the active site; the acetyl chloride, on the other handis an electrophile with the carbonyl carbon as the active site. | ||
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(DE-627)DOAJ033885788 (DE-599)DOAJ0bd7c90cd05b4d539ff07c3db7f11aa3 DE-627 ger DE-627 rakwb spa TP1-1185 QD1-999 Pamela Carrillo S. verfasserin aut Extraction and characterization of l-carnitine in avocado (Persea americana) through instrumental and computational techniques 2013 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The purpose of this study was the extraction and characterization of l-carnitinefrom avocado (Persea americana) with the use of computational and instrumen-tal techniques. l carnitine was quantified by uv/vis spectroscopy from two avo-cado varieties (fuerte and booth 8). it was found that the booth 8 varietycontains 84 μg of l-carnitine/gram of fresh fruit, while fuerte has 82 μg/g. thekinetics of the acetylation reaction was determined with the use of infraredspectroscopy. therefore, the reaction is second global order with a rate constantof 4.45x10-4l/mol·s a 298±2K. the thermodynamic analysis of the reaction,the determination of the reaction mechanism and the analysis of the reactivityand selectivity of the reactant molecules through computational techniqueswith the b3lYP method and the 6-311g (d,p) basis set were executed. the re-action enthalpy in the gas phase was –8.2 kcal/mol and –4.1 kcal/mol in theaqueous phase. it was established that the acetylation reaction is produced bya nucleophilic attack of the hydrochloride l-carnitine to the acetyl chloride,going through a tetrahedral transition state which ends with the elimination ofchloride acid. also, it was determined that the l-carnitine is a nucleophilic mo-lecule with the oxygen as the active site; the acetyl chloride, on the other handis an electrophile with the carbonyl carbon as the active site. Chemical technology Chemistry Lorena Meneses O. verfasserin aut In infoANALITÍCA Pontificia Universidad Católica del Ecuador, 2019 1(2013), 1 (DE-627)1678881392 26028344 nnns volume:1 year:2013 number:1 https://doaj.org/article/0bd7c90cd05b4d539ff07c3db7f11aa3 kostenfrei http://infoanalitica-puce.edu.ec/index.php/infoanalitica/article/view/46 kostenfrei https://doaj.org/toc/2477-8788 Journal toc kostenfrei https://doaj.org/toc/2602-8344 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 1 2013 1 |
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(DE-627)DOAJ033885788 (DE-599)DOAJ0bd7c90cd05b4d539ff07c3db7f11aa3 DE-627 ger DE-627 rakwb spa TP1-1185 QD1-999 Pamela Carrillo S. verfasserin aut Extraction and characterization of l-carnitine in avocado (Persea americana) through instrumental and computational techniques 2013 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The purpose of this study was the extraction and characterization of l-carnitinefrom avocado (Persea americana) with the use of computational and instrumen-tal techniques. l carnitine was quantified by uv/vis spectroscopy from two avo-cado varieties (fuerte and booth 8). it was found that the booth 8 varietycontains 84 μg of l-carnitine/gram of fresh fruit, while fuerte has 82 μg/g. thekinetics of the acetylation reaction was determined with the use of infraredspectroscopy. therefore, the reaction is second global order with a rate constantof 4.45x10-4l/mol·s a 298±2K. the thermodynamic analysis of the reaction,the determination of the reaction mechanism and the analysis of the reactivityand selectivity of the reactant molecules through computational techniqueswith the b3lYP method and the 6-311g (d,p) basis set were executed. the re-action enthalpy in the gas phase was –8.2 kcal/mol and –4.1 kcal/mol in theaqueous phase. it was established that the acetylation reaction is produced bya nucleophilic attack of the hydrochloride l-carnitine to the acetyl chloride,going through a tetrahedral transition state which ends with the elimination ofchloride acid. also, it was determined that the l-carnitine is a nucleophilic mo-lecule with the oxygen as the active site; the acetyl chloride, on the other handis an electrophile with the carbonyl carbon as the active site. Chemical technology Chemistry Lorena Meneses O. verfasserin aut In infoANALITÍCA Pontificia Universidad Católica del Ecuador, 2019 1(2013), 1 (DE-627)1678881392 26028344 nnns volume:1 year:2013 number:1 https://doaj.org/article/0bd7c90cd05b4d539ff07c3db7f11aa3 kostenfrei http://infoanalitica-puce.edu.ec/index.php/infoanalitica/article/view/46 kostenfrei https://doaj.org/toc/2477-8788 Journal toc kostenfrei https://doaj.org/toc/2602-8344 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 1 2013 1 |
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(DE-627)DOAJ033885788 (DE-599)DOAJ0bd7c90cd05b4d539ff07c3db7f11aa3 DE-627 ger DE-627 rakwb spa TP1-1185 QD1-999 Pamela Carrillo S. verfasserin aut Extraction and characterization of l-carnitine in avocado (Persea americana) through instrumental and computational techniques 2013 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The purpose of this study was the extraction and characterization of l-carnitinefrom avocado (Persea americana) with the use of computational and instrumen-tal techniques. l carnitine was quantified by uv/vis spectroscopy from two avo-cado varieties (fuerte and booth 8). it was found that the booth 8 varietycontains 84 μg of l-carnitine/gram of fresh fruit, while fuerte has 82 μg/g. thekinetics of the acetylation reaction was determined with the use of infraredspectroscopy. therefore, the reaction is second global order with a rate constantof 4.45x10-4l/mol·s a 298±2K. the thermodynamic analysis of the reaction,the determination of the reaction mechanism and the analysis of the reactivityand selectivity of the reactant molecules through computational techniqueswith the b3lYP method and the 6-311g (d,p) basis set were executed. the re-action enthalpy in the gas phase was –8.2 kcal/mol and –4.1 kcal/mol in theaqueous phase. it was established that the acetylation reaction is produced bya nucleophilic attack of the hydrochloride l-carnitine to the acetyl chloride,going through a tetrahedral transition state which ends with the elimination ofchloride acid. also, it was determined that the l-carnitine is a nucleophilic mo-lecule with the oxygen as the active site; the acetyl chloride, on the other handis an electrophile with the carbonyl carbon as the active site. Chemical technology Chemistry Lorena Meneses O. verfasserin aut In infoANALITÍCA Pontificia Universidad Católica del Ecuador, 2019 1(2013), 1 (DE-627)1678881392 26028344 nnns volume:1 year:2013 number:1 https://doaj.org/article/0bd7c90cd05b4d539ff07c3db7f11aa3 kostenfrei http://infoanalitica-puce.edu.ec/index.php/infoanalitica/article/view/46 kostenfrei https://doaj.org/toc/2477-8788 Journal toc kostenfrei https://doaj.org/toc/2602-8344 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 1 2013 1 |
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(DE-627)DOAJ033885788 (DE-599)DOAJ0bd7c90cd05b4d539ff07c3db7f11aa3 DE-627 ger DE-627 rakwb spa TP1-1185 QD1-999 Pamela Carrillo S. verfasserin aut Extraction and characterization of l-carnitine in avocado (Persea americana) through instrumental and computational techniques 2013 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The purpose of this study was the extraction and characterization of l-carnitinefrom avocado (Persea americana) with the use of computational and instrumen-tal techniques. l carnitine was quantified by uv/vis spectroscopy from two avo-cado varieties (fuerte and booth 8). it was found that the booth 8 varietycontains 84 μg of l-carnitine/gram of fresh fruit, while fuerte has 82 μg/g. thekinetics of the acetylation reaction was determined with the use of infraredspectroscopy. therefore, the reaction is second global order with a rate constantof 4.45x10-4l/mol·s a 298±2K. the thermodynamic analysis of the reaction,the determination of the reaction mechanism and the analysis of the reactivityand selectivity of the reactant molecules through computational techniqueswith the b3lYP method and the 6-311g (d,p) basis set were executed. the re-action enthalpy in the gas phase was –8.2 kcal/mol and –4.1 kcal/mol in theaqueous phase. it was established that the acetylation reaction is produced bya nucleophilic attack of the hydrochloride l-carnitine to the acetyl chloride,going through a tetrahedral transition state which ends with the elimination ofchloride acid. also, it was determined that the l-carnitine is a nucleophilic mo-lecule with the oxygen as the active site; the acetyl chloride, on the other handis an electrophile with the carbonyl carbon as the active site. Chemical technology Chemistry Lorena Meneses O. verfasserin aut In infoANALITÍCA Pontificia Universidad Católica del Ecuador, 2019 1(2013), 1 (DE-627)1678881392 26028344 nnns volume:1 year:2013 number:1 https://doaj.org/article/0bd7c90cd05b4d539ff07c3db7f11aa3 kostenfrei http://infoanalitica-puce.edu.ec/index.php/infoanalitica/article/view/46 kostenfrei https://doaj.org/toc/2477-8788 Journal toc kostenfrei https://doaj.org/toc/2602-8344 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 1 2013 1 |
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(DE-627)DOAJ033885788 (DE-599)DOAJ0bd7c90cd05b4d539ff07c3db7f11aa3 DE-627 ger DE-627 rakwb spa TP1-1185 QD1-999 Pamela Carrillo S. verfasserin aut Extraction and characterization of l-carnitine in avocado (Persea americana) through instrumental and computational techniques 2013 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The purpose of this study was the extraction and characterization of l-carnitinefrom avocado (Persea americana) with the use of computational and instrumen-tal techniques. l carnitine was quantified by uv/vis spectroscopy from two avo-cado varieties (fuerte and booth 8). it was found that the booth 8 varietycontains 84 μg of l-carnitine/gram of fresh fruit, while fuerte has 82 μg/g. thekinetics of the acetylation reaction was determined with the use of infraredspectroscopy. therefore, the reaction is second global order with a rate constantof 4.45x10-4l/mol·s a 298±2K. the thermodynamic analysis of the reaction,the determination of the reaction mechanism and the analysis of the reactivityand selectivity of the reactant molecules through computational techniqueswith the b3lYP method and the 6-311g (d,p) basis set were executed. the re-action enthalpy in the gas phase was –8.2 kcal/mol and –4.1 kcal/mol in theaqueous phase. it was established that the acetylation reaction is produced bya nucleophilic attack of the hydrochloride l-carnitine to the acetyl chloride,going through a tetrahedral transition state which ends with the elimination ofchloride acid. also, it was determined that the l-carnitine is a nucleophilic mo-lecule with the oxygen as the active site; the acetyl chloride, on the other handis an electrophile with the carbonyl carbon as the active site. Chemical technology Chemistry Lorena Meneses O. verfasserin aut In infoANALITÍCA Pontificia Universidad Católica del Ecuador, 2019 1(2013), 1 (DE-627)1678881392 26028344 nnns volume:1 year:2013 number:1 https://doaj.org/article/0bd7c90cd05b4d539ff07c3db7f11aa3 kostenfrei http://infoanalitica-puce.edu.ec/index.php/infoanalitica/article/view/46 kostenfrei https://doaj.org/toc/2477-8788 Journal toc kostenfrei https://doaj.org/toc/2602-8344 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 1 2013 1 |
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Extraction and characterization of l-carnitine in avocado (Persea americana) through instrumental and computational techniques |
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The purpose of this study was the extraction and characterization of l-carnitinefrom avocado (Persea americana) with the use of computational and instrumen-tal techniques. l carnitine was quantified by uv/vis spectroscopy from two avo-cado varieties (fuerte and booth 8). it was found that the booth 8 varietycontains 84 μg of l-carnitine/gram of fresh fruit, while fuerte has 82 μg/g. thekinetics of the acetylation reaction was determined with the use of infraredspectroscopy. therefore, the reaction is second global order with a rate constantof 4.45x10-4l/mol·s a 298±2K. the thermodynamic analysis of the reaction,the determination of the reaction mechanism and the analysis of the reactivityand selectivity of the reactant molecules through computational techniqueswith the b3lYP method and the 6-311g (d,p) basis set were executed. the re-action enthalpy in the gas phase was –8.2 kcal/mol and –4.1 kcal/mol in theaqueous phase. it was established that the acetylation reaction is produced bya nucleophilic attack of the hydrochloride l-carnitine to the acetyl chloride,going through a tetrahedral transition state which ends with the elimination ofchloride acid. also, it was determined that the l-carnitine is a nucleophilic mo-lecule with the oxygen as the active site; the acetyl chloride, on the other handis an electrophile with the carbonyl carbon as the active site. |
| abstractGer |
The purpose of this study was the extraction and characterization of l-carnitinefrom avocado (Persea americana) with the use of computational and instrumen-tal techniques. l carnitine was quantified by uv/vis spectroscopy from two avo-cado varieties (fuerte and booth 8). it was found that the booth 8 varietycontains 84 μg of l-carnitine/gram of fresh fruit, while fuerte has 82 μg/g. thekinetics of the acetylation reaction was determined with the use of infraredspectroscopy. therefore, the reaction is second global order with a rate constantof 4.45x10-4l/mol·s a 298±2K. the thermodynamic analysis of the reaction,the determination of the reaction mechanism and the analysis of the reactivityand selectivity of the reactant molecules through computational techniqueswith the b3lYP method and the 6-311g (d,p) basis set were executed. the re-action enthalpy in the gas phase was –8.2 kcal/mol and –4.1 kcal/mol in theaqueous phase. it was established that the acetylation reaction is produced bya nucleophilic attack of the hydrochloride l-carnitine to the acetyl chloride,going through a tetrahedral transition state which ends with the elimination ofchloride acid. also, it was determined that the l-carnitine is a nucleophilic mo-lecule with the oxygen as the active site; the acetyl chloride, on the other handis an electrophile with the carbonyl carbon as the active site. |
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The purpose of this study was the extraction and characterization of l-carnitinefrom avocado (Persea americana) with the use of computational and instrumen-tal techniques. l carnitine was quantified by uv/vis spectroscopy from two avo-cado varieties (fuerte and booth 8). it was found that the booth 8 varietycontains 84 μg of l-carnitine/gram of fresh fruit, while fuerte has 82 μg/g. thekinetics of the acetylation reaction was determined with the use of infraredspectroscopy. therefore, the reaction is second global order with a rate constantof 4.45x10-4l/mol·s a 298±2K. the thermodynamic analysis of the reaction,the determination of the reaction mechanism and the analysis of the reactivityand selectivity of the reactant molecules through computational techniqueswith the b3lYP method and the 6-311g (d,p) basis set were executed. the re-action enthalpy in the gas phase was –8.2 kcal/mol and –4.1 kcal/mol in theaqueous phase. it was established that the acetylation reaction is produced bya nucleophilic attack of the hydrochloride l-carnitine to the acetyl chloride,going through a tetrahedral transition state which ends with the elimination ofchloride acid. also, it was determined that the l-carnitine is a nucleophilic mo-lecule with the oxygen as the active site; the acetyl chloride, on the other handis an electrophile with the carbonyl carbon as the active site. |
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Extraction and characterization of l-carnitine in avocado (Persea americana) through instrumental and computational techniques |
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