A escolha da faixa espectral no uso combinado de métodos espectroscópicos e quimiométricos
A method is presented for the choice of spectral regions when absorption measurements are coupled to chemometric tools to perform quantitative analyses. The method is based on the spectral distribution of the relative standard deviation of concentration (s c/c). It has been applied to the developmen...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Sociedade Brasileira de Química
2004-01-01
|
| Series: | Química Nova |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422004000200009 |
| _version_ | 1818591422997069824 |
|---|---|
| author | Oliveira Flavia C. C. Souza Antônio T. P. C. de Dias José A. Dias Silvia C. L. Rubim Joel C. |
| author_facet | Oliveira Flavia C. C. Souza Antônio T. P. C. de Dias José A. Dias Silvia C. L. Rubim Joel C. |
| author_sort | Oliveira Flavia C. C. |
| collection | DOAJ |
| description | A method is presented for the choice of spectral regions when absorption measurements are coupled to chemometric tools to perform quantitative analyses. The method is based on the spectral distribution of the relative standard deviation of concentration (s c/c). It has been applied to the development of PLS-FTNIR calibration models for the determination of density and MON of gasoline, and ethanol content and density of ethanol fuel. The new method was also compared with the correlation (R²) method and has proved to generate PLS calibration models that present better accuracy and precision than those based on R². |
| first_indexed | 2024-12-16T10:12:12Z |
| format | Article |
| id | doaj.art-0ed2df6dfdb5448ea137f2191ec36a64 |
| institution | Directory Open Access Journal |
| issn | 0100-4042 1678-7064 |
| language | English |
| last_indexed | 2024-12-16T10:12:12Z |
| publishDate | 2004-01-01 |
| publisher | Sociedade Brasileira de Química |
| record_format | Article |
| series | Química Nova |
| spelling | doaj.art-0ed2df6dfdb5448ea137f2191ec36a642022-12-21T22:35:32ZengSociedade Brasileira de QuímicaQuímica Nova0100-40421678-70642004-01-01272218225A escolha da faixa espectral no uso combinado de métodos espectroscópicos e quimiométricosOliveira Flavia C. C.Souza Antônio T. P. C. deDias José A.Dias Silvia C. L.Rubim Joel C.A method is presented for the choice of spectral regions when absorption measurements are coupled to chemometric tools to perform quantitative analyses. The method is based on the spectral distribution of the relative standard deviation of concentration (s c/c). It has been applied to the development of PLS-FTNIR calibration models for the determination of density and MON of gasoline, and ethanol content and density of ethanol fuel. The new method was also compared with the correlation (R²) method and has proved to generate PLS calibration models that present better accuracy and precision than those based on R².http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422004000200009FTNIRPLSspectral region selection |
| spellingShingle | Oliveira Flavia C. C. Souza Antônio T. P. C. de Dias José A. Dias Silvia C. L. Rubim Joel C. A escolha da faixa espectral no uso combinado de métodos espectroscópicos e quimiométricos Química Nova FTNIR PLS spectral region selection |
| title | A escolha da faixa espectral no uso combinado de métodos espectroscópicos e quimiométricos |
| title_full | A escolha da faixa espectral no uso combinado de métodos espectroscópicos e quimiométricos |
| title_fullStr | A escolha da faixa espectral no uso combinado de métodos espectroscópicos e quimiométricos |
| title_full_unstemmed | A escolha da faixa espectral no uso combinado de métodos espectroscópicos e quimiométricos |
| title_short | A escolha da faixa espectral no uso combinado de métodos espectroscópicos e quimiométricos |
| title_sort | escolha da faixa espectral no uso combinado de metodos espectroscopicos e quimiometricos |
| topic | FTNIR PLS spectral region selection |
| url | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422004000200009 |
| work_keys_str_mv | AT oliveiraflaviacc aescolhadafaixaespectralnousocombinadodemetodosespectroscopicosequimiometricos AT souzaantoniotpcde aescolhadafaixaespectralnousocombinadodemetodosespectroscopicosequimiometricos AT diasjosea aescolhadafaixaespectralnousocombinadodemetodosespectroscopicosequimiometricos AT diassilviacl aescolhadafaixaespectralnousocombinadodemetodosespectroscopicosequimiometricos AT rubimjoelc aescolhadafaixaespectralnousocombinadodemetodosespectroscopicosequimiometricos AT oliveiraflaviacc escolhadafaixaespectralnousocombinadodemetodosespectroscopicosequimiometricos AT souzaantoniotpcde escolhadafaixaespectralnousocombinadodemetodosespectroscopicosequimiometricos AT diasjosea escolhadafaixaespectralnousocombinadodemetodosespectroscopicosequimiometricos AT diassilviacl escolhadafaixaespectralnousocombinadodemetodosespectroscopicosequimiometricos AT rubimjoelc escolhadafaixaespectralnousocombinadodemetodosespectroscopicosequimiometricos |