CIDCA   05380
CENTRO DE INVESTIGACION Y DESARROLLO EN CRIOTECNOLOGIA DE ALIMENTOS
Unidad Ejecutora - UE
artículos
Título:
Multivariate analysis of Raman spectra applied to microbiology: Discrimination of microorganisms at the species level
Autor/es:
P. MOBILI, A. LONDERO, G. DE ANTONI AND A. GÓMEZ-ZAVAGLIA; C. ARAUJO-ANDRADE, H. ÁVILA-DONOSO, R. IVANOV-TZONCHEV AND I. MORENO-HERNÁNDEZ; C. FRAUSTO REYES
Revista:
REVISTA MEXICANA DE FÃSICA
Editorial:
Editorial de la Univ Autonoma de Mexico y Soc Mexicana de Fisica
Referencias:
Lugar: Ciudad de Mexico [enviado]; Año: 2009 p. 1 - 2
ISSN:
0035-001X
Resumen:
In this work, multivariate methods such as: principal component analysis (PCA) and
partial least square-discriminant analysis (PLS-DA), were applied for the analysis and
interpretation of Raman spectra, collected from microorganisms of different species.
The main objective was to develop a methodology for a rapid and free of chemicalreagents
discrimination and classification of microorganism at the species level. The
raw Raman spectra of microorganisms were recorded in the spectral range of 2000 to
200 cm-1. However, a detailed analysis of the results obtained by means of PCA,
showed that the spectral region from 1700 to 1500 cm-1, provide chemical and
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
showed that the spectral region from 1700 to 1500 cm-1, provide chemical and
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
showed that the spectral region from 1700 to 1500 cm-1, provide chemical and
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
showed that the spectral region from 1700 to 1500 cm-1, provide chemical and
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
biochemical information highly correlated with the species of the microorganisms
analyzed in this study, allowing a clear discrimination among species. Also, in order to
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classification model, as a first approach. The results obtained for this
method, showed an acceptable classification among the strains under study. On the
other hand, taken into account the complexity of microorganisms´ communities and the
experimental procedures for their identification, discrimination and classification, the
non-destructive and versatility of Raman spectroscopy and the capability of the
multivariate methods for the analysis of spectral data, result useful tools for the
classification and discrimination of this kind of samples.
evaluate the capability of multivariate methods to develop a classification rule, PLS-DA
in a leave-one-out-cross-validation method (LOOCV) was used for the calibration and
validation of a classifi