This README_Supplementary_Data.txt file was generated on 2026-03-31 by Vivien Jill Jesenofsky (email: vivien.jesenofsky@tuhh.de)

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GENERAL INFORMATION
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	Name: Vivien Jill Jesenofsky (0009-0008-3572-8225)
	Role/Function: Data Collector, Data Curator (main contact person)
	Institution: Institute of Technical Microbiology, Hamburg University of Technology
	Address: Kasernenstraße 12, 21073 Hamburg, Germany
	Email: vivien.jesenofsky@tuhh.de

	Name: Janek René Weiler (0000-0003-4930-5764)
	Role/Function: Data Collector
	Institution: Institute of Technical Microbiology, Hamburg University of Technology
	Address: Kasernenstraße 12, 21073 Hamburg, Germany

	Name: Miriam Edel (ORCID: 0009-0008-6283-0006)
	Role/Function: Principal Investigator (alternative contact person)
	Institution: Institute of Technical Microbiology, Hamburg University of Technology
	Address: Kasernenstraße 12, 21073 Hamburg, Germany

	Name: Johannes Gescher (ORCID: 0000-0002-1625-8810)
	Role/Function: Contributing Researcher
	Institution: Institute of Technical Microbiology, Hamburg University of Technology
	Address: Kasernenstraße 12, 21073 Hamburg, Germany
	Email: johannes.gescher@tuhh.de

	

Date of data collection: September 2025 - February 2026

Location of data collection: Institute of Technical Microbiology, Hamburg University of Technology, Hamburg, Germany

Funding: This project is funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – SFB 1615 – 503850735.

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SHARING/ACCESS INFORMATION
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Title of data set: "Oxygen-dependent redox control enables growth-decoupled biotransformations in Cupriavidus  necator"

DOI of dataset:https://doi.org/10.15480/882.16935

Keywords: 
+ Cupriavidus necator
+ redox metabolism
+ oxygen Limitation
+ acetoin; 2,3-butanediol
+ 1,3-propanediol
+ HPLC

License: Public Domain Mark
If you use these data, please cite the dataset as follows:

Vivien Jesenofsky (2026): Oxygen-dependent redox control enables growth-decoupled biotransformations in Cupriavidus necator – dataset. TUHH Open Research (TORE). https://doi.org/10.15480/882.16935 

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DATA & FILE OVERVIEW
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### 01_HPLC_data_cellsuspension_+O2.csv (creation date: 02.04.2026, version: 01)
- **Description:**Concentration profiles of fructose, acetoin, and 2,3-butanediol during cell suspension assays under oxic conditions.
- **Columns:**
- time_h: Sampling time (h)
- strain: Strain identifier (2058 = production plasmid, 2059 = control)
- replicate: Biological replicate number
- fructose_mM: Fructose concentration (mM)
- acetoin_mM: Acetoin concentration (mM)
- meso_bdo_mM: meso-2,3-butanediol (mM)
- rr_ss_bdo_mM: RR/SS stereoisomer fraction (mM)
- Time points:
Original sample identifiers contained time labels from t0 to t8. These were converted to numeric sampling times in hours in the column `time_h`:

t0 = 0 h
t1 = 3 h
t2 = 6 h
t3 = 9 h
t4 = 24 h
t5 = 27 h
t6 = 30 h
t7 = 53 h
t8 = 72 h


### 02_HPLC_data_cellsuspension_-O2.csv (creation date: 02.04.2026, version: 01)
- **Description:** Concentration profiles of fructose, acetoin, and 2,3-butanediol during cell suspension assays under anoxic conditions.
- **Columns:**
- time_h: Sampling time (h)
- strain: Strain identifier (2058 = production plasmid, 2059 = control)
- replicate: Biological replicate number
- fructose_mM: Fructose concentration (mM)
- acetoin_mM: Acetoin concentration (mM)
- meso_bdo_mM: meso-2,3-butanediol concentration (mM)
- rr_ss_bdo_mM: RR/SS stereoisomer fraction of 2,3-butanediol (mM)
- Time points:
Original sample identifiers contained time labels from t0 to t6. These were converted to numeric sampling times in hours:

t0 = 0 h
t1 = 3 h
t2 = 6 h
t3 = 9 h
t4 = 24 h
t5 = 72 h
t6 = 237 h

### 03_HPLC_data_Growth experiment +O2.csv (creation date: 02.04.2026, version: 01)
- **Description:** Time-resolved concentration data and OD₆₀₀ measurements for growth experiments plus concentration profiles of fructose, acetoin, and 2,3-butanediol under oxic conditions.
- **Columns:**
- time_h: Sampling time (h)
- strain: Strain identifier (2058 = production plasmid, 2059 = control)
- replicate: Biological replicate number
- fructose_mM: Fructose concentration (mM)
- acetoin_mM: Acetoin concentration (mM)
- meso_bdo_mM: meso-2,3-butanediol concentration (mM)
- rr_ss_bdo_mM: RR/SS stereoisomer fraction of 2,3-butanediol (mM)
- Time points:
Original sample identifiers contained time labels from t0 to t12. These were converted to numeric sampling times in hours in the column `time_h`:

t0 = 0 h  
t1 = 2 h  
t2 = 5 h  
t3 = 8 h  
t4 = 11 h  
t5 = 14 h  
t6 = 17 h  
t7 = 22 h  
t8 = 25 h  
t9 = 28 h  
t10 = 32 h  
t11 = 50 h  
t12 = 76 h 


### 04_HPLC_data_cellsuspension_Live_Dead.csv (creation date: 02.04.2026, version: 01)
- **Description:** HPLC data associated with long-term viability experiments under ±O₂ conditions.
- **Columns:**
- time_h: Sampling time (h)
- strain: Strain identifier (2058 = production plasmid, 2059 = control)
- sample_group: Experimental condition encoded in the original sample identifier  
  - K+: oxic conditions (with oxygen)  
  - K−: anoxic conditions (without oxygen)
- replicate: Biological replicate number
- fructose_mM: Fructose concentration (mM)
- acetoin_mM: Acetoin concentration (mM)
- meso_bdo_mM: meso-2,3-butanediol concentration (mM)
- rr_ss_bdo_mM: RR/SS stereoisomer fraction of 2,3-butanediol (mM)

- Time points:
Original sample identifiers contained time labels from t0 to t11. These were converted to numeric sampling times in hours in the column `time_h`:

t0 = 0 h  
t1 = 24 h  
t2 = 48 h  
t3 = 96 h  
t4 = 144 h  
t5 = 192 h  
t6 = 312 h  
t7 = 360 h  
t8 = 408 h  
t9 = 528 h  
t10 = 696 h  
t11 = 744 h

### 05_HPLC_cellsuspension_Propanediol.csv (creation date: 02.04.2026, version: 01)
- **Description:** HPLC measurements for glycerol-to-1,3-propanediol conversion Experiments under ±O₂ conditions.
- **Columns:**
- time_h: Sampling time (h)
- condition: Experimental condition
  - with_o2: cell suspension assay with oxygen
  - without_o2: cell suspension assay without oxygen
  - control_with_o2: control strain (2053) with oxygen
- strain: Strain identifier (2052 = production strain, 2053 = control)
- replicate: Biological replicate number
- fructose_mM: Fructose concentration (mM)
- glycerol_mM: Glycerol concentration (mM)
- propanediol_mM: 1,2-propanediol concentration (mM)
- Time points:
Original sample identifiers contained time labels that were converted to numeric sampling times in hours in the column `time_h`.

For `with_o2` and `control_with_o2`:
t0 = 0 h  
t6 = 24 h  
t9 = 76 h  

For `without_o2`:
t0 = 0 h  
t1 = 48.5 h  
t2 = 98 h  

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DATA DESCRIPTION
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- Notes:
Decimal separator: period (.)  
Missing values are indicated as "NA"
All concentration values are reported in mM. Sample selection: Original sample identifiers contained a sample-type code.`h` denotes heterotrophic conditions, i.e. fructose was added.  
- Data processing:
In the original raw data, some metadata (e.g., experimental condition labels) were only indicated in the first row of a group. These annotations were propagated to all corresponding rows to ensure that each row contains complete and machine-readable information. All tables are provided in tidy format, where each row represents one observation and each column represents one variable.
All HPLC rates were calculated as interval-based differences (Δc/Δt). Metabolite concentrations were quantified using a Thermo Scientific™ UltiMate™ 3000 UHPLC system (Thermo Fisher Scientific, Waltham, USA) equipped with a refractive index detector (RefractoMax 521, Thermo Fisher Scientific). Data acquisition and analysis was conducted using Chromeleon 7.2 SR4 software (Thermo Fisher Scientific).


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EXPERIMENTAL CONTEXT
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This dataset contains measurements from growth and cell suspension experiments using engineered Cupriavidus necator strains for oxygen-dependent biotransformations.

Experiments include:

Acetoin reduction to 2,3-butanediol under ±O₂
Glycerol conversion to 1,3-propanediol under ±O₂
Growth experiments under oxic conditions
Long-term viability assays with live/dead staining

Oxygen availability was used as a control parameter to modulate intracellular redox metabolism and direct NADH utilization toward either product formation or respiration.