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2020

Weinbender T.; Knierbein M.; Bittorf L.; Held C.; Siewert R.; Verevkin S. P.; Sadowski G.; Reiser O.:

High-pressure-mediated thiourea-organocatalyzed Michael addition to (hetero)aromatic nitroolefins: Prediction of reaction parameters by PCP-SAFT modelling


Greinert T.; Vogel K.; Mühlenweg J. K.; Sadowski G.; Maskow T.; Held C.:

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

Fluid Phase Equilibria, vol. 517, p. 112597, 2020

https://doi.org/10.1016/j.fluid.2020.112597


Greinert T.; Vogel K.; Seifert A. I.; Siewert R.; Andreeva I. V.; Verevkin S. P.; Maskow T.; Sadowski G.; Held C.:

Standard Gibbs energy of metabolic reactions: V. Enolase reaction

Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics, vol. 1868, 2020

https://doi.org/10.1016/j.bbapap.2020.140365


Greinert T.; Baumhove K.; Sadowski G.; Held C.:

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

Biophysical Chemistry, vol. 258, p. 106330, 2020

https://doi.org/10.1016/j.bpc.2020.106330


Schneider R; Kerkhoff J.; Danzer A.; Mattusch A.; Ohmann A.; Thommes M.; Sadowski G.:

The interplay of dissolution, solution crystallization and solid-state transformation of amorphous indomethacin in aqueous solution

International Journal of Pharmaceutics: X, p. 100063, 2020

https://doi.org/10.1016/j.ijpx.2020.100063


Dohrn S.; Reimer P.; Lübbert C.; Lehmkemper K.; Kyeremateng S. O.; Degenhardt M.; Sadowski G.:

Thermodynamic modeling the solvent-impact on phase separation of amorphous solid dispersions during drying

Molecular Pharmaceutics, In Press, 2020

https://doi.org/10.1021/acs.molpharmaceut.0c00418


Dohrn S.; Lübbert C.; Lehmkemper K.; Kyeremateng S. O.; Degenhardt M.; Sadowski G.:

Phase behavior of pharmaceutically relevant polymer/solvent mixtures

International Journal of Pharmaceutics, vol. 577, p. 119065, 2020

https://doi.org/10.1016/j.ijpharm.2020.119065


Capecci S.; Wang Y.; V. Casson Moreno; Held C.; Leveneur S.:

Solvent effect on the kinetics of the hydrogenation of n-butyl levulinate to γ-valerolactone

Chemical Engineering Science, p. 116315, 2020

https://doi.org/10.1016/j.ces.2020.116315


Schneider R.; Taspinar L.; Yuanhui J.; Sadowski G.:

The influence of polymeric excipients on desupersaturation profiles of active pharmaceutical ingredients. 1: Polyethylene glycol

International Journal of Pharmaceutics, vol. 582, p. 119317, 2020

https://doi.org/10.1016/j.ijpharm.2020.119317


Haarmann N.; Reinhardt A.; Danzer A.; Sadowski G.; Enders S.:

Modeling of Interfacial Tensions of Long-Chain Molecules and Related Mixtures using PC SAFT and the Density Gradient Theory

J. Chem. Eng. Data, vol. 65, pp. 1005-1018, 2020

https://doi.org/10.1021/acs.jced.9b00339


Wessner M.; Nowaczyk M.; Brandenbusch C.:

Rapid identification of tailor-made aqueous two-phase systems for the extractive purification of high-value biomolecules

Journal of Molecular Liquids, In Press, 2020

https://doi.org/10.1016/j.molliq.2020.113655


Wessner M.; Diederich K.; Brandenbusch C.:

Influence of Sodium Chloride and Lithium Bromide on the Phase Behavior of a Citrate–Polyethylene Glycol 2000 Aqueous Two-Phase System

Journal of Chemical & Engineering Data, In Press, 2020

https://doi.org/10.1021/acs.jced.0c00319


Schleinitz M.; Nolte L.; Brandenbusch C.:

Predicting protein-protein interactions using the ePC-SAFT equation-of-state

Journal of Molecular Liquids, vol. 298, 2020

http://doi.org/10.1016/J.Molliq.2019.112011


Knierbein M.; Voges M.; Held C.:

5-Hydroxymethylfurfural Synthesis in Nonaqueous Two-Phase Systems (NTPS)–PC-SAFT Predictions and Validation

Organic Process Research & Development, In Press, 2020

https://doi.org/10.1021/acs.oprd.0c00072


Knierbein M.; Held C.; Sadowski G.:

The Role of Molecular Interactions on Michaelis Constants of α-Chymotrypsin Catalyzed Peptide Hydrolyses

The Journal of Chemical Thermodynamics, vol. 148, p. 106142, 2020

https://doi.org/10.1016/j.jct.2020.106142


Bülow M.; Schmitz A.; Mahmoudi T.; Schmidt D.; Junglas F.; Janiak C.; Held C.:

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

RSC Advances, vol. 10, pp. 28351-28354, 2020

http://dx.doi.org/10.1039/D0RA05406B


Wysoczanska K.; Do H. T.; Sadowski G.; Macedo E. A.; Held C.:

Partitioning of water-soluble vitamins in biodegradable aqueous two-phase systems: Electrolyte perturbed-chain statistical associating fluid theory predictions and experimental validation

AIChE Journal, vol. 66, p. e16984, 2020

https://doi.org/10.1002/aic.16984


Vogel K.; Greinert T.; Reichard M.; Held C.; Harms H.; Maskow T.:

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

International Journal of Molecular Sciences, vol. 21, p. 8341, 2020

https://doi.org/10.3390/ijms21218341


Vogel K.; Greinert T.; Reichard M.; Held C.; Harms H.; Maskow T.:

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

International Journal of Molecular Sciences, vol. 21, p. 7921, 2020

https://doi.org/10.3390/ijms21217921


Vogel K.; Greinert T.; Harms H.; Sadowski G.; Held C.; Maskow T.:

Influence of cytosolic conditions on the reaction equilibrium and the reaction enthalpy of the enolase reaction accessed by calorimetry and van ‘t HOFF

Biochimica et Biophysica Acta (BBA) - General Subjects, vol. 1864, p. 129675, 2020

https://doi.org/10.1016/j.bbagen.2020.129675


Vogel K.; Greinert T.; Held C.; Harms H.; Maskow T.:

Application of Irreversible Thermodynamics to Determine the Influence of Cell Mimicking Conditions on the Kinetics of Equilibrium Reactions of the Glycolysis

Biophysical Journal, vol. 118, pp. 346a-347a, 2020

https://doi.org/10.1016/j.bpj.2019.11.2000


Sauer J.; Kühl H.-D.:

Theoretically and experimentally founded simulation of the appendix gap in regenerative machines

Applied Thermal Engineering, vol. 166, p. 114530, 2020

https://doi.org/10.1016/j.applthermaleng.2019.114530


Lubben M. J.; Canales R. I.; Lyu Y.; Held C.; Gonzalez-Miquel M.; Stadtherr M. A.; Brennecke J. F.:

Promising Thiolanium Ionic Liquid for Extraction of Aromatics from Aliphatics: Experiments and Modeling

Industrial & Engineering Chemistry Research, vol. 59, pp. 15707-15717, 2020

https://doi.org/10.1021/acs.iecr.0c02292


Brinkmann J.; Exner L.; Lübbert C.; Sadowski G.:

In-Silico Screening of Lipid-Based Drug Delivery Systems

Pharmaceutical Research, vol. 37, p. 249, 2020

https://doi.org/10.1007/s11095-020-02955-0


Brinkmann J.; Rest F.; Lübbert C.; Sadowski G.:

Solubility of Pharmaceutical Ingredients in Natural Edible Oils

Molecular Pharmaceutics, In Press, 2020

https://doi.org/10.1021/acs.molpharmaceut.0c00215


Zaitsau D. H.; Siewert R.; Pimerzin A. A.; Bülow M.; Held C.; Loor M.; Schulz S.; Verevkin S. P.:

Paving the way to solubility through volatility: Thermodynamics of imidazolium-based ionic liquids of the type [CnC1Im][I]

Fluid Phase Equilibria, vol. 522, p. 112767, 2020

https://doi.org/10.1016/j.fluid.2020.112767


Veith H.; Turan E.; Lübbert C.; Sadowski G.:

Hydrate formation in polymer-based pharmaceutical formulations

Fluid Phase Equilibria, p. 112677, 2020

https://doi.org/10.1016/j.fluid.2020.112677


Veith H.; Lübbert C.; Sadowski G.:

Correctly Measuring and Predicting Solubilities of Solvates, Hydrates, and Polymorphs

Crystal Growth & Design, vol. 20, pp. 723-735, 2020

https://doi.org/10.1021/acs.cgd.9b01145


Sadowski G.; Vrabec J.:

Special Issue Honoring Hans Hasse

Journal of Chemical & Engineering Data, vol. 65, pp. 941-942, 2020

https://doi.org/10.1021/acs.jced.0c00170?ref=pdf


Sadowski G.:

Special Issue Celebrating 30 Years of SAFT

Journal of Chemical & Engineering Data, vol. 65, pp. 5627-5627, 2020

https://doi.org/10.1021/acs.jced.0c00970


Wolbert F.; Stecker J.; Lübbert C.; Sadowski G.:

Viscosity of ASDs at humid conditions

European Journal of Pharmaceutics and Biopharmaceutics, vol. 154, pp. 387-396, 2020

https://doi.org/10.1016/j.ejpb.2020.07.024


Lima F.; Dietz C.; Silvestre A.; Branco L.; Canongia-Lopes J.; Gallucci F.; Shimizu K.; Held C.; Marrucho I.:

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

The Journal of Physical Chemistry B, vol. 124, pp. 10386-10397, 2020

https://doi.org/10.1021/acs.jpcb.0c04837


Fischer F.; Kühl H.-D.:

Analytical model for an overdriven free-displacer thermocompressor

Applied Thermal Engineering, p. 116251, 2020

https://doi.org/10.1016/j.applthermaleng.2020.116251


Pabsch D.; Held C.; Sadowski G.:

Modeling the CO2 Solubility in Aqueous Electrolyte Solutions Using ePC-SAFT

Journal of Chemical & Engineering Data, 2020

https://doi.org/10.1021/acs.jced.0c00704


Held C.:

Thermodynamic gE Models and Equations of State for Electrolytes in a Water-Poor Medium: A Review

Journal of Chemical & Engineering Data, vol. 65, pp. 5073-5082, 2020

https://doi.org/10.1021/acs.jced.0c00812


Reinhardt A.; Haarmann N.; Sadowski G.; Enders S.:

Application of PC-SAFT and DGT for the Prediction of Self-Assembly

Journal of Chemical & Engineering Data, vol. 65, pp. 5897-5908, 2020

10.1021/acs.jced.0c00781


Reinhardt A.; Haarmann N.; Sadowski G.; Enders S.:

Application of PC-SAFT and DGT for the Prediction of Self-Assembly

Journal of Chemical & Engineering Data, 2020

https://doi.org/10.1021/acs.jced.0c00781