List of works - Christoph Held

A thermodynamic investigation of the glucose-6-phosphate isomerization

scientific article published on 21 August 2014

Activity coefficients at infinite dilution for different alcohols and ketones in [EMpy][ESO4]: Experimental data and modeling with PC-SAFT

article published in 2016

Aggregation control of Ru and Ir nanoparticles by tunable aryl alkyl imidazolium ionic liquids

scientific article published on 19 February 2019

Aromatic volatile organic compounds absorption with phenyl‐based deep eutectic solvents: A molecular thermodynamics and dynamics study

scientific article published on 8 February 2023

Benchmark Thermochemistry for Biologically Relevant Adenine and Cytosine. A Combined Experimental and Theoretical Study

scientific article published on 28 August 2015

Benzoic Acid and Chlorobenzoic Acids: Thermodynamic Study of the Pure Compounds and Binary Mixtures With Water

scientific article published on 06 February 2016

Calculation of Multiphase Equilibria Containing Mixed Solvents and Mixed Electrolytes: General Formulation and Case Studies

scientific article published on 2 May 2022

Carboxylation of Acetylene without Salt Waste: Green Synthesis of C 4 Chemicals Enabled by a CO 2 ‐Pressure Induced Acidity Switch

scientific article published on 24 May 2023

Catalytic Low-Temperature Dehydration of Fructose to 5-Hydroxymethylfurfural Using Acidic Deep Eutectic Solvents and Polyoxometalate Catalysts

scientific article published on 09 October 2019

Cation Effect on the Water Activity of Ternary (S)-Aminobutanedioic Acid Magnesium Salt Solutions at 298.15 and 310.15 K

scholarly article by Christoph Held et al published 12 July 2016 in Journal of Chemical & Engineering Data

Characterization and Modeling of the Liquid Phase of Deep Eutectic Solvents Based on Fatty Acids/Alcohols and Choline Chloride

Combined co-solvent and pressure effect on kinetics of a peptide hydrolysis: an activity-based approach

scientific article published on 02 October 2019

Compatible solutes: Thermodynamic properties and biological impact of ectoines and prolines

scientific article published on 3 August 2010

Compatible solutes: Thermodynamic properties relevant for effective protection against osmotic stress

Cosolvent and pressure effects on enzyme-catalysed hydrolysis reactions

scientific article published on 20 June 2019

Crowders and Cosolvents-Major Contributors to the Cellular Milieu and Efficient Means to Counteract Environmental Stresses

scientific article published on 15 August 2017

Density of Mixtures Containing Sugars and Ionic Liquids: Experimental Data and PC-SAFT Modeling

Density variations of TMAO solutions in the kilobar range: Experiments, PC-SAFT predictions, and molecular dynamics simulations

scientific article published on 12 July 2019

Determination of the Total Vapor Pressure of Hydrophobic Deep Eutectic Solvents: Experiments and Perturbed-Chain Statistical Associating Fluid Theory Modeling

Effect of different organic salts on amino acids partition behaviour in PEG-salt ATPS

Effect of salts on the solubility of ionic liquids in water: experimental and electrolyte Perturbed-Chain Statistical Associating Fluid Theory.

scientific article

High-Pressure-Mediated Thiourea-Organocatalyzed Asymmetric Michael Addition to (Hetero)aromatic Nitroolefins: Prediction of Reaction Parameters by PCP-SAFT Modelling

scientific article published on 01 June 2020

Impact of Deep Eutectic Solvents on Kinetics and Folding Stability of Formate Dehydrogenase

scientific article published on 22 September 2023

Impact of deep eutectic solvents and their constituents on the aqueous solubility of phloroglucinol dihydrate

scientific article published in December 2021

Influence of Salts on the Partitioning of 5-Hydroxymethylfurfural in Water/MIBK.

scientific article

Influence of Solvents and Salts on CO 2 Solubility and the Impact on an Esterification Reaction

scientific article published on 31 August 2023

Influence of cytosolic conditions on the reaction equilibrium and the reaction enthalpy of the enolase reaction accessed by calorimetry and van 't HOFF

scientific article published on 28 June 2020

Influence of electrolytes on liquid-liquid equilibria of water/1-butanol and on the partitioning of 5-hydroxymethylfurfural in water/1-butanol

Influence of pH Value and Ionic Liquids on the Solubility of l-Alanine and l-Glutamic Acid in Aqueous Solutions at 30 °C

Influence of solvent and salt on kinetics and equilibrium of esterification reactions

scientific article published in December 2022

Leveraging liquid-liquid phase separation and volume modulation to regulate the enzymatic activity of formate dehydrogenase

scientific article published in January 2024

Liquid–Liquid Equilibria of 1-Butanol/Water/IL Systems

Measurement and Modeling Solubility of Aqueous Multisolute Amino-Acid Solutions

Measurement and PC-SAFT modeling of solid-liquid equilibrium of deep eutectic solvents of quaternary ammonium chlorides and carboxylic acids

Measurement and PC-SAFT modelling of three-phase behaviour

scientific article

Measuring and Modeling Activity Coefficients in Aqueous Amino-Acid Solutions

Measuring and Predicting Thermodynamic Limitation of an Alcohol Dehydrogenase Reaction

Measuring and Predicting the Extraction Behavior of Biogenic Formic Acid in Biphasic Aqueous/Organic Reaction Mixtures

scientific article published on 14 December 2017

Measuring and modeling alcohol/salt systems

Measuring and modeling aqueous electrolyte/amino-acid solutions with ePC-SAFT

Modeling aqueous electrolyte solutions

Modeling aqueous electrolyte solutions. Part 2. Weak electrolytes

Modeling imidazolium-based ionic liquids with ePC-SAFT

article published in 2012

Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

Modeling pH and Solubilities in Aqueous Multisolute Amino Acid Solutions

Modeling the temperature-dependent solubility of salts in organic solvents

scientific article published in September 2023

Modeling thermodynamic properties of aqueous single-solute and multi-solute sugar solutions with PC-SAFT

article by Christoph Held et al published 23 August 2013 in AIChE Journal

Modelling Specific Ion Effects in Engineering Science

Molecular interactions in 1-butanol + IL solutions by measuring and modeling activity coefficients

scientific article published on 8 March 2013

Molecular thermodynamics of complex coacervate systems. Part I: Modeling of polyelectrolyte solutions using pePC-SAFT

scientific article published in April 2025

Molecular thermodynamics of complex coacervate systems. Part II: Measuring and modeling of the phase envelope using pePC-SAFT

scientific article published in April 2025

Mutual Influence of Furfural and Furancarboxylic Acids on Their Solubility in Aqueous Solutions: Experiments and Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) Predictions

Neural Network-Based Tensor Completion: Advancing Predictions of Activity Coefficients and Beyond

scientific article published on 8 July 2024

Odd–even effect for efficient bioreactions of chiral alcohols and boosted stability of the enzyme

scientific article published in 2020

Oil desulfurization using deep eutectic solvents as sustainable and economical extractants via liquid-liquid extraction: Experimental and PC-SAFT predictions

Osmolyte effect on enzymatic stability and reaction equilibrium of formate dehydrogenase

scientific article published in 2022

PC-SAFT Modeling of CO2 Solubilities in Deep Eutectic Solvents

scientific article published on 26 January 2016

Phase Behavior of Binary Mixtures Containing Succinic Acid or Its Esters

Predicting CO2 solubility in aqueous and organic electrolyte solutions with ePC-SAFT advanced

scientific article published in April 2023

Predicting Vapor–Liquid Equilibria for Sour-Gas Absorption in Aqueous Mixtures of Chemical and Physical Solvents or Ionic Liquids with ePC-SAFT

scientific article published on 23 April 2021

Predicting the Solubility of CO2 in Toluene + Ionic Liquid Mixtures with PC-SAFT

Predicting the high concentration co-solvent influence on the reaction equilibria of the ADH-catalyzed reduction of acetophenone

Prediction and Experimental Validation of Co-Solvent Influence on Michaelis Constants: A Thermodynamic Activity-Based Approach

scientific article published on 12 October 2018

Prediction of pH in multiphase multicomponent systems with ePC-SAFT advanced

scientific article published in 2022

Reaction Equilibrium of the ω-Transamination of (S)-Phenylethylamine: Experiments and ePC-SAFT Modeling

article published in 2017

Regional differentiation and extensive hybridization between mitochondrial clades of the Southern Ocean giant sea spider Colossendeis megalonyx

scientific article

Salt influence on MIBK/water liquid–liquid equilibrium: Measuring and modeling with ePC-SAFT and COSMO-RS

article published in 2016

Simultaneous Prediction of Cosolvent Influence on Reaction Equilibrium and Michaelis Constants of Enzyme-Catalyzed Ketone Reductions

scientific article published on 04 April 2019

Simultaneous Predictions of Chemical and Phase Equilibria in Systems with an Esterification Reaction Using PC-SAFT

scientific article published on 13 February 2023

Solubility of Electrolytes in Organic Solvents: Solvent-Specific Effects and Ion-Specific Effects

scientific article published on 15 June 2022

Solubility of Sugars and Sugar Alcohols in Ionic Liquids: Measurement and PC-SAFT Modeling ⬇️

scientific article published on August 16, 2013

Standard Gibbs Energy of Metabolic Reactions: I. Hexokinase Reaction

scientific article

Standard Gibbs Energy of Metabolic Reactions: III The 3-Phosphoglycerate Kinase Reaction

article by Anton Wangler et al published 28 February 2018 in ACS Omega

Standard Gibbs energy of metabolic reactions: II. Glucose-6-phosphatase reaction and ATP hydrolysis

scientific article

Standard Gibbs energy of metabolic reactions: IV. Triosephosphate isomerase reaction

scientific article published on 13 January 2020

Standard Gibbs energy of metabolic reactions: V. Enolase reaction

scientific article published on 18 January 2020

Standard Gibbs energy of metabolic reactions: VI. Glyceraldehyde 3-phosphate dehydrogenase reaction

scientific article published in 2020

Structure and thermodynamics of aqueous urea solutions from ambient to kilobar pressures: From thermodynamic modeling, experiments, and first principles simulations to an accurate force field description

scientific article published on 03 September 2019

Tetrahydrothiophene-Based Ionic Liquids: Synthesis and Thermodynamic Characterizations

scientific article published on 23 December 2020

The Role of Polyfunctionality in the Formation of [Ch]Cl-Carboxylic Acid-Based Deep Eutectic Solvents

The role of activity coefficients in bioreaction equilibria: thermodynamics of methyl ferulate hydrolysis

scientific article

Thermodynamic Activity-Based Michaelis Constants

Thermodynamic Activity-Based Solvent Design for Bioreactions

scientific article published on 31 May 2019

Thermodynamic Properties of Aqueous Glucose–Urea–Salt Systems

article published in 2014

Thermodynamic properties of aqueous osmolyte solutions at high-pressure conditions

scientific article published on 27 June 2019

Thermodynamic properties of aqueous salt containing urea solutions

Thermodynamic properties of selenoether-functionalized ionic liquids and their use for the synthesis of zinc selenide nanoparticles

scientific article published on 01 April 2018

Thermodynamics and Kinetics of Glycolytic Reactions. Part I: Kinetic Modeling Based on Irreversible Thermodynamics and Validation by Calorimetry

scientific article published on 06 November 2020

Thermodynamics and Kinetics of Glycolytic Reactions. Part II: Influence of Cytosolic Conditions on Thermodynamic State Variables and Kinetic Parameters

scientific article published on 25 October 2020

Thermodynamics of Bioreactions

scientific article

Thermodynamics of a model biological reaction: A comprehensive combined experimental and theoretical study

Thermodynamics of enzyme-catalyzed esterifications: I. Succinic acid esterification with ethanol

scientific article published on 12 May 2017

Thermodynamics of enzyme-catalyzed esterifications: II. Levulinic acid esterification with short-chain alcohols

scientific article

Thermodynamics of the alanine aminotransferase reaction

Thermophysical properties of glyceline-water mixtures investigated by molecular modelling

scientific article published on 06 March 2019

Tunable Hydrophobic Eutectic Solvents Based on Terpenes and Monocarboxylic Acids

Vapor Pressure Assessment of Sulfolane-Based Eutectic Solvents: Experimental, PC-SAFT, and Molecular Dynamics

scientific article published on 09 November 2020

Vapor–Liquid Equilibria of Water + Alkylimidazolium-Based Ionic Liquids: Measurements and Perturbed-Chain Statistical Associating Fluid Theory Modeling

List of works by Christoph Held

A thermodynamic investigation of the glucose-6-phosphate isomerization

Activity coefficients at infinite dilution for different alcohols and ketones in [EMpy][ESO4]: Experimental data and modeling with PC-SAFT

Aggregation control of Ru and Ir nanoparticles by tunable aryl alkyl imidazolium ionic liquids

Aromatic volatile organic compounds absorption with phenyl‐based deep eutectic solvents: A molecular thermodynamics and dynamics study

Benchmark Thermochemistry for Biologically Relevant Adenine and Cytosine. A Combined Experimental and Theoretical Study

Benzoic Acid and Chlorobenzoic Acids: Thermodynamic Study of the Pure Compounds and Binary Mixtures With Water

Calculation of Multiphase Equilibria Containing Mixed Solvents and Mixed Electrolytes: General Formulation and Case Studies

Carboxylation of Acetylene without Salt Waste: Green Synthesis of C 4 Chemicals Enabled by a CO 2 ‐Pressure Induced Acidity Switch

Catalytic Low-Temperature Dehydration of Fructose to 5-Hydroxymethylfurfural Using Acidic Deep Eutectic Solvents and Polyoxometalate Catalysts

Cation Effect on the Water Activity of Ternary (S)-Aminobutanedioic Acid Magnesium Salt Solutions at 298.15 and 310.15 K

Characterization and Modeling of the Liquid Phase of Deep Eutectic Solvents Based on Fatty Acids/Alcohols and Choline Chloride

Combined co-solvent and pressure effect on kinetics of a peptide hydrolysis: an activity-based approach

Compatible solutes: Thermodynamic properties and biological impact of ectoines and prolines

Compatible solutes: Thermodynamic properties relevant for effective protection against osmotic stress

Cosolvent and pressure effects on enzyme-catalysed hydrolysis reactions

Crowders and Cosolvents-Major Contributors to the Cellular Milieu and Efficient Means to Counteract Environmental Stresses

Density of Mixtures Containing Sugars and Ionic Liquids: Experimental Data and PC-SAFT Modeling

Density variations of TMAO solutions in the kilobar range: Experiments, PC-SAFT predictions, and molecular dynamics simulations

Determination of the Total Vapor Pressure of Hydrophobic Deep Eutectic Solvents: Experiments and Perturbed-Chain Statistical Associating Fluid Theory Modeling

Effect of different organic salts on amino acids partition behaviour in PEG-salt ATPS

Effect of salts on the solubility of ionic liquids in water: experimental and electrolyte Perturbed-Chain Statistical Associating Fluid Theory.

High-Pressure-Mediated Thiourea-Organocatalyzed Asymmetric Michael Addition to (Hetero)aromatic Nitroolefins: Prediction of Reaction Parameters by PCP-SAFT Modelling

Impact of Deep Eutectic Solvents on Kinetics and Folding Stability of Formate Dehydrogenase

Impact of deep eutectic solvents and their constituents on the aqueous solubility of phloroglucinol dihydrate

Influence of Salts on the Partitioning of 5-Hydroxymethylfurfural in Water/MIBK.

Influence of Solvents and Salts on CO 2 Solubility and the Impact on an Esterification Reaction

Influence of cytosolic conditions on the reaction equilibrium and the reaction enthalpy of the enolase reaction accessed by calorimetry and van 't HOFF

Influence of electrolytes on liquid-liquid equilibria of water/1-butanol and on the partitioning of 5-hydroxymethylfurfural in water/1-butanol

Influence of pH Value and Ionic Liquids on the Solubility of l-Alanine and l-Glutamic Acid in Aqueous Solutions at 30 °C

Influence of solvent and salt on kinetics and equilibrium of esterification reactions

Leveraging liquid-liquid phase separation and volume modulation to regulate the enzymatic activity of formate dehydrogenase

Liquid–Liquid Equilibria of 1-Butanol/Water/IL Systems

Measurement and Modeling Solubility of Aqueous Multisolute Amino-Acid Solutions

Measurement and PC-SAFT modeling of solid-liquid equilibrium of deep eutectic solvents of quaternary ammonium chlorides and carboxylic acids

Measurement and PC-SAFT modelling of three-phase behaviour

Measuring and Modeling Activity Coefficients in Aqueous Amino-Acid Solutions

Measuring and Predicting Thermodynamic Limitation of an Alcohol Dehydrogenase Reaction

Measuring and Predicting the Extraction Behavior of Biogenic Formic Acid in Biphasic Aqueous/Organic Reaction Mixtures

Measuring and modeling alcohol/salt systems

Measuring and modeling aqueous electrolyte/amino-acid solutions with ePC-SAFT

Modeling aqueous electrolyte solutions

Modeling aqueous electrolyte solutions. Part 2. Weak electrolytes

Modeling imidazolium-based ionic liquids with ePC-SAFT

Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

Modeling pH and Solubilities in Aqueous Multisolute Amino Acid Solutions

Modeling the temperature-dependent solubility of salts in organic solvents

Modeling thermodynamic properties of aqueous single-solute and multi-solute sugar solutions with PC-SAFT

Modelling Specific Ion Effects in Engineering Science

Molecular interactions in 1-butanol + IL solutions by measuring and modeling activity coefficients

Molecular thermodynamics of complex coacervate systems. Part I: Modeling of polyelectrolyte solutions using pePC-SAFT

Molecular thermodynamics of complex coacervate systems. Part II: Measuring and modeling of the phase envelope using pePC-SAFT

Mutual Influence of Furfural and Furancarboxylic Acids on Their Solubility in Aqueous Solutions: Experiments and Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) Predictions

Neural Network-Based Tensor Completion: Advancing Predictions of Activity Coefficients and Beyond

Odd–even effect for efficient bioreactions of chiral alcohols and boosted stability of the enzyme

Oil desulfurization using deep eutectic solvents as sustainable and economical extractants via liquid-liquid extraction: Experimental and PC-SAFT predictions

Osmolyte effect on enzymatic stability and reaction equilibrium of formate dehydrogenase

Osmolyte effect on enzymatic stability and reaction equilibrium of formate dehydrogenase

PC-SAFT Modeling of CO2 Solubilities in Deep Eutectic Solvents

Phase Behavior of Binary Mixtures Containing Succinic Acid or Its Esters

Predicting CO2 solubility in aqueous and organic electrolyte solutions with ePC-SAFT advanced

Predicting Vapor–Liquid Equilibria for Sour-Gas Absorption in Aqueous Mixtures of Chemical and Physical Solvents or Ionic Liquids with ePC-SAFT

Predicting the Solubility of CO2 in Toluene + Ionic Liquid Mixtures with PC-SAFT

Predicting the high concentration co-solvent influence on the reaction equilibria of the ADH-catalyzed reduction of acetophenone

Prediction and Experimental Validation of Co-Solvent Influence on Michaelis Constants: A Thermodynamic Activity-Based Approach

Prediction of pH in multiphase multicomponent systems with ePC-SAFT advanced

Reaction Equilibrium of the ω-Transamination of (S)-Phenylethylamine: Experiments and ePC-SAFT Modeling

Regional differentiation and extensive hybridization between mitochondrial clades of the Southern Ocean giant sea spider Colossendeis megalonyx

Salt influence on MIBK/water liquid–liquid equilibrium: Measuring and modeling with ePC-SAFT and COSMO-RS

Simultaneous Prediction of Cosolvent Influence on Reaction Equilibrium and Michaelis Constants of Enzyme-Catalyzed Ketone Reductions

Simultaneous Predictions of Chemical and Phase Equilibria in Systems with an Esterification Reaction Using PC-SAFT

Solubility of Electrolytes in Organic Solvents: Solvent-Specific Effects and Ion-Specific Effects

Solubility of Sugars and Sugar Alcohols in Ionic Liquids: Measurement and PC-SAFT Modeling ⬇️

Standard Gibbs Energy of Metabolic Reactions: I. Hexokinase Reaction

Standard Gibbs Energy of Metabolic Reactions: III The 3-Phosphoglycerate Kinase Reaction

Standard Gibbs energy of metabolic reactions: II. Glucose-6-phosphatase reaction and ATP hydrolysis

Standard Gibbs energy of metabolic reactions: IV. Triosephosphate isomerase reaction

Standard Gibbs energy of metabolic reactions: V. Enolase reaction

Standard Gibbs energy of metabolic reactions: VI. Glyceraldehyde 3-phosphate dehydrogenase reaction

Structure and thermodynamics of aqueous urea solutions from ambient to kilobar pressures: From thermodynamic modeling, experiments, and first principles simulations to an accurate force field description