HTW-KI-Werkstatt/RamanSpectraRalstoniaFermentations

Dataset Overview

This dataset contains Raman spectra (both real and synthetic) recorded during the batch cultivation of Ralstonia eutropha. The primary focus is the monitoring of the biodegradable copolymer poly(hydroxybutyrate-co-hydroxyhexanoate) [P(HB-co-HHx)].

Target Parameters and Composition

The dataset tracks the synthesis of the P(HB-co-HHx) copolymer and the metabolic state of the cultivation, focusing on the following key metrics:

• Cell Dry Weight [g/L]: Total biomass concentration consisting of both the polymer and the active cell mass.
• Fructose HPLC [g/L]: Residual concentration of the fructose substrate, which leads primarily to the incorporation of HB monomers.
• Hhx [g/L]: Concentration of the polyhydroxyhexanoate monomer within the copolymer.
• HB [g/L]: Concentration of the polyhydroxybutyrate monomer within the copolymer.
• Residual CDW [g/L]: The non-polymer cell mass (calculated as total CDW minus total PHA), representing the catalytic capacity of the culture.
• Urea kit [g/L]: Concentration of the nitrogen source, critical for identifying the nutrient limitation that triggers PHA accumulation.

Data Acquisition & Generation

The dataset utilizes a combination of experimental observations and high-fidelity synthetic data to represent the cultivation dynamics of R. eutropha.

• Organism:: Ralstonia eutropha
• Cultivation Mode:: Batch fermentation.
• Instrument: Tec5 Multi-Spec Raman 785 nm
• Exposure Time: 10s

Citation

If you use this dataset in your research, please cite the following paper:

@article{lange_data_2024,
  title = {Data Augmentation Scheme for Raman Spectra with Highly Correlated Annotations},
  editor = {Flavio Manenti and Gintaras V. Reklaitis},
  series = {Computer Aided Chemical Engineering},
  publisher = {Elsevier},
  volume = {53},
  pages = {3055-3060},
  year = {2024},
  booktitle = {34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering},
  issn = {1570-7946},
  doi = {https://doi.org/10.1016/B978-0-443-28824-1.50510-X},
  url = {https://www.sciencedirect.com/science/article/pii/B978044328824150510X},
  author = {Christoph Lange and Isabel Thiele and Lara Santolin and Sebastian L. Riedel and Maxim Borisyak and Peter Neubauer and Mariano Nicolas Cruz-Bournazou},
  keywords = {Raman Spectroscopy, Convolutional Neural Network, Data Augmentation},
}