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Theory Summary: Chemometrics & Lactic Acid Fermentation

A foundational page for the Fermentation Insight Hub portfolio

🔬 1. Lactic Acid Fermentation — Scientific Background

Lactic acid is produced via microbial fermentation where microorganisms convert sugar (typically glucose or sucrose) into lactic acid under controlled conditions.

Lactic Acid-Producing Bacteria (LAB) and Their Fermentative Pathway

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Catabolic pathways of glucose fermentation by lactic acid-producing bacteria (LAB) [1]
(A): homofermentation in Lactococcus lactis or Lactobacillus acidophilus,
(B): mixed acid fermentation tococcus lactis), and
(C): heterofermentation in Lactobacillus casei.

Simple Process Flow of Fermentation [1,2]

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Key process parameters influencing fermentation:

pH – must be kept stable (typically 5.0–6.0) using lime (CaCO₃/Ca(OH)₂) or H₂SO₄
Temperature – optimum around 35–38°C for most lactic acid bacteria
Dissolved Oxygen (DO) – fermentation is mostly anaerobic but DO dynamics still indicate cell activity
Agitation – ensures homogeneous conditions
Sugar concentration – influences osmotic pressure and final acid yield
Cell growth profile – correlates with sugar consumption and acid formation
These factors drive:
Lactate Yield (%)
Final Lactate Concentration (g/L)
Batch Time & Productivity
Variability between batches

🧪 2. Process Analytical Technology (PAT)

PAT refers to real-time monitoring tools that allow continuous measurement of critical process variables.

Typical PAT sensors used in fermentation:

NIR / Raman spectroscopy
Measures molecular absorbance patterns
Tracks sugar  , lactic acid, and other chemical component
pH probe
DO sensor
Temperature sensor
Off-gas (CO₂) analyser
PAT produces high-dimensional, multivariate data — ideal for chemometrics.

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[3]

NIR (Near-Infrared) and Raman spectroscopy

NIR is a light-based analytical technique that measures how materials absorb near-infrared light (700–2500 nm).Different chemical bonds absorb NIR light differently, creating a “spectral fingerprint.”
Raman measures how molecules scatter laser light. When a laser hits a molecule, the vibration of its chemical bonds causes a unique scattering pattern → the Raman spectrum.

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NIR of L-Lactic Acid [4]


Chemometrics + PCA/PLS

Chemometrics is the use of mathematics and statistics to analyse chemical or bioprocess data.
In fermentation, sensors (NIR, Raman, pH, DO, temperature) generate complex, high-dimensional, noisy data. Chemometrics helps make sense of it.
Chemometrics helps you:
Extract useful information from complex spectra
Detect abnormal batches
Identify root causes
Predict product quality (lactic acid concentration)
Reduce lab testing
Support real-time process optimisation

PCA — Principal Component Analysis

PCA is a chemometric technique that reduces multivariate data (like spectra or sensor readings) into a few summary components called principal components.
PCA helps you:
Visualise batch similarity/differences
Detect abnormal or drifting batches
Understand which variables drive variation
Monitor fermentation stability
Identify contamination or sensor drift
PCA outputs:
Score plot → how batches differ
Loading plot → which variables cause the difference
T² and Q-residuals → abnormality indicators

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[5]

PLS — Partial Least Squares Regression

PLS relates (X) → (Y):
X = spectra, process variables, sensor signals
Y = final lactic acid concentration, yield, purity, etc.
PLS helps you:
Predict lactic acid concentration from NIR/Raman
Predict yield before batch ends
Model relationships between process variables and quality
Reduce lab samples (real-time quality prediction)
Understand which variables are most important
PLS outputs:
Predicted vs actual quality
Regression coefficients
VIP scores (variable importance)
Latent variables explaining chemistry + process behaviour
In simple words: 👉 PLS predicts product quality using process/spectral data.

PCA = monitoring & understanding
PLS = prediction & quality modelling


References

[1] Lactic Acid: A Comprehensive Review of Production to Purification, no date.
[2] Life Cycle Impact Assessment of Polylactic Acid (PLA) Produced from Sugarcane in Thailand, no date.
[3] Endress+Hauser, “Process Analytical Technology in Life Sciences.” Available: .
[4] Application of Near-Infrared Spectroscopy Technology in the Complex Fermentation System to Achieve High-Efficiency Production, no date.
[5] JASCO Inc., “Chemometrics – FTIR Microscopy.” Available: .
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