Solubility of paracetamol in ethanol by molecular dynamics using the extended Einstein crystal method and experiments-Reference-Cited by-同舟云学术

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Solubility of paracetamol in ethanol by molecular dynamics using the extended Einstein crystal method and experiments

Published:2019-03-07 Issue:9 Volume:150 Page:094107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Bellucci Michael A.¹^ORCID,Gobbo Gianpaolo¹^ORCID,Wijethunga Tharanga K.¹^ORCID,Ciccotti Giovanni²³^ORCID,Trout Bernhardt L.¹^ORCID

Affiliation:

1. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA

2. Università di Roma La Sapienza, Ple. A. Moro 5, 00185 Roma, Italy

3. School of Physics, University College of Dublin, Belfield, Dublin 4, Ireland

Funder

MIT-Novartis Center for Continuous Manufacturing

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5086706

Reference67 articles.

1. Drug Solubility: Importance and Enhancement Techniques

2. Strategies to Address Low Drug Solubility in Discovery and Development

3. Pharmaceutical Crystallization

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1. A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals;The Journal of Chemical Physics;2023-11-14

2. Comparative Drug Solubility Studies Using Shake-Flask Versus a Laser-Based Robotic Method;AAPS PharmSciTech;2023-10-10

3. Prediction of aqueous solubility of a strongly soluble solute from molecular simulation;The Journal of Chemical Physics;2023-07-28

4. Predicting solubility and driving forces for crystallization using the absolute chemical potential route;Molecular Physics;2022-12-15

5. A Comparison of Methods for Computing Relative Anhydrous–Hydrate Stability with Molecular Simulation;Crystal Growth & Design;2022-11-29

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