Investigation of the structure, stability, and relative solubility of psilocybin in water and pure organic solvents: A molecular simulation study

L Paul, CT Namba-Nzanguim, A Telesphory… - Journal of Molecular …, 2023 - Elsevier
Psilocybin is an indole-based secondary metabolite found naturally in mushrooms which
possesses several pharmacological effects. Recently, a large number of experimental …

Predicting the solubility of nonelectrolyte solids using a combination of molecular simulation with the solubility parameter method MOSCED: application to the …

RC Ollier, T Nguyen, H Agarwal, JR Phifer… - Processes, 2022 - mdpi.com
Methods to predict the equilibrium solubility of nonelectrolyte solids are indispensable for
early-stage process development, design, and feasibility studies. Conventional analytic …

GC-MOSCED: A group contribution method for predicting MOSCED parameters with application to limiting activity coefficients in water and octanol/water partition …

P Dhakal, SN Roese, EM Stalcup, AS Paluch - Fluid Phase Equilibria, 2018 - Elsevier
Abstract The MOdified Separation of Cohesive Energy D ensity (MOSCED) is a solubility
parameter based method that can both quantitatively predict limiting activity coefficients and …

MOSCED parameters for 1-n-alkyl-3-methylimidazolium-based ionic liquids: Application to limiting activity coefficients and intuitive entrainer selection for extractive …

P Dhakal, JA Ouimet, SN Roese, AS Paluch - Journal of Molecular Liquids, 2019 - Elsevier
Solubility parameter based methods have long been valuable design tools due to their
ability to make both quantitative predictions and to shed insight into the underlying …

Assessment and Revision of the MOSCED Parameters for Water: Application to Limiting Activity Coefficients and Binary Liquid–Liquid Equilibrium

P Dhakal, AS Paluch - Industrial & Engineering Chemistry …, 2018 - ACS Publications
M odified S eparation of C ohesive E nergy D ensity (MOSCED) is an attractive method for
modeling phase-equilibria because it both can make quantitative predictions and give …

Correlating Pure Component Properties with MOSCED Solubility Parameters: Enthalpy of Vaporization and Vapor Pressure

NH Wong, P Dhakal, SN Roese, AS Paluch - ChemEngineering, 2023 - mdpi.com
Tools to predict vapor–liquid phase equilibria are indispensable for the conceptualization
and design of separation processes. Modified separation of cohesive energy density …