Composition for personal growth : program design and evaluation.

<p>Two categories were used for cross-validation of the model, either type 1 or type 2. Clinical isolates were treated as an unknown class and cross-validated sensitivity, specificity, and class error were based on their classification prediction score with their respective reference strain control class. CV, cross-validated.</p><p>Cross-validated PLS-DA modeling statistics for the prediction performance for NA-SERS typing of individual type 1 and 2 <i>M</i>. <i>pneumoniae</i> clinical isolates.</p

Differentiation of <i>M. pneumoniae</i> strains.

<p>(<b>A</b>) Average spectra (n = 15) of <i>M. pneumoniae</i> strains with formalin background, baseline corrected and offset; and (<b>B</b>) first derivative spectra from panel A demonstrating strong similarities but also clear differences (boxes) among the strains.</p

PCR analysis of serial dilutions of <i>M. pneumoniae</i> strain II-3.

<p>Dilutions 10⁻¹⁰ to 10⁰ are indicated; std, DNA size standard (350 kbp); +, positive control (277 kbp). Starting concentration, 1.8×10⁹ CFU/ml.</p

PLS-DA of throat swabs spiked with serial dilutions of <i>M. pneumoniae</i>.

a<p>abbreviations same as in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0013633#pone-0013633-t001" target="_blank">Table 1</a>.</p

PLS-DA of true clinical throat swab samples from different individuals.

<p>Gray symbols, samples previously shown to be <i>M. pneumoniae-</i>negative (Mp-negative) by culture and real-time PCR from five persons; open symbols, samples previously shown to be <i>M. pneumoniae-</i>positive (Mp-positive) by culture and real-time PCR from five persons. Five or six spectra were collected for each sample, in duplicate.</p

Principal Component and Hierarchal Cluster Analyses.

<p>Chemometric analysis was conducted on the spectral data from <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0013633#pone-0013633-g002" target="_blank">Figure 2</a>. (<b>A</b>) PC scores plot 1vs. 3 of <i>M. pneumoniae</i> strains FH, M129, and II-3, as indicated. 77% of the variance was captured in PC1 and 3% in PC3 to distinguish the strains. (<b>B</b>) HCA of pre-processed spectra of <i>M. pneumoniae</i> strains FH (dashed lines), M129 (solid lines), and II-3 (bold lines). Four spectra from strain II-3 were misclassified with FH (at left).</p

PLS-DA of NA-SERS specificity and sensitivity in discriminating three <i>M. pneumoniae</i> strains and two negative controls (formalin and water).

a<p>abbreviations the same as in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0013633#pone-0013633-t001" target="_blank">Table 1</a>; single model generated using 12 latent variables accounting for 88% of the total variance for all serial dilutions of each strain.</p

Reproducibility of spectra.

<p>Raw spectra (<b>A</b>) of <i>M. pneumoniae</i> strain FH collected from five random spots from three separate NA substrate wells, baseline corrected and offset. (<b>B</b>) First derivative spectra for strain FH from <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0013633#pone-0013633-g001" target="_blank">Figure 1A</a>.</p

Differentiation of spiked and control throat swab samples.

<p>Representative difference spectra of spiked, pooled throat swab samples after subtraction of the spectrum of the un-spiked, pooled throat swab control. Bold and thin solid lines, spiked samples (8.2×10⁴ and 8.2×10³ CFU <i>M. pneumoniae</i> M129/µl, respectively); dashed line, representative spectrum of <i>M. pneumoniae</i> M129.</p

PLS regression analysis of serial dilutions of <i>M. pneumoniae.</i>

<p>Serial 10-fold dilutions of strain II-3 spanning 10 logs of concentration were assessed by PLS regression for degree of linearity in actual intensity of the measured spectra plotted against the predicted intensity. Starting concentration, 1.8×10⁹ CFU/ml; R² = 0.810.</p