Polymorphism and solvatomorphism 2010

HG Brittain - Journal of pharmaceutical sciences, 2012 - Elsevier
Papers and patents that deal with polymorphism (crystal systems for which a substance can
exist in structures defined by different unit cells and where each of the forms has the same …

Phase transition enthalpy measurements of organic and organometallic compounds. Sublimation, vaporization and fusion enthalpies from 1880 to 2015. Part 1. C1 …

W Acree, JS Chickos - Journal of Physical and Chemical Reference …, 2016 - pubs.aip.org
A compendium of phase change enthalpies published in 2010 is updated to include the
period 1880–2015. Phase change enthalpies including fusion, vaporization, and …

Evaluation of the OPLS-AA force field for the study of structural and energetic aspects of molecular organic crystals

CES Bernardes, A Joseph - The Journal of Physical Chemistry A, 2015 - ACS Publications
Motivated by the need for reliable experimental data for the assessment of theoretical
predictions, this work proposes a data set of enthalpies of sublimation determined for …

AGGREGATES: Finding structures in simulation results of solutions

CES Bernardes - 2017 - Wiley Online Library
Molecular Dynamic and Monte‐Carlo simulations are widely used to investigate the
structure and physical properties of solids and liquids at a molecular level. Tools to extract …

Polymorph Screening of the Antitumor Drug Ripretinib─ Selective Preference of Dimer Synthons

TKS Fayaz, P Roy, A Ghosh, S Som… - Crystal Growth & …, 2023 - ACS Publications
Ripretinib is commercialized as a medication to treat patients suffering from advanced
gastrointestinal stromal tumor. The USFDA-approved drug (2020) is highly water-insoluble …

Polymorphic Phase Transition in 4′-Hydroxyacetophenone: Equilibrium Temperature, Kinetic Barrier, and the Relative Stability of Z′ = 1 and Z′ = 2 Forms

A Joseph, CES Bernardes, AI Druzhinina… - Crystal Growth & …, 2017 - ACS Publications
Particularly relevant in the context of polymorphism is understanding how structural,
thermodynamic, and kinetic factors dictate the stability domains of polymorphs, their …

Sustainable Syntheses of Paracetamol and Ibuprofen from Biorenewable β‐pinene

JD Tibbetts, M Hutchby, WB Cunningham… - …, 2023 - Wiley Online Library
Scalable processes have been developed to convert β‐pinene into 4‐
isopropenylcyclohexanone, which is then used as a feedstock for the divergent synthesis of …

Energetics and structure of nicotinic acid (niacin)

EM Gonçalves, CES Bernardes, HP Diogo… - The Journal of …, 2010 - ACS Publications
The standard molar enthalpies of formation and sublimation of crystalline (monoclinic, space
group P 21/c) nicotinic acid (NA), at 298.15 K, were determined as Δf H m°(NA, cr) …

Polymorphism control through a single nucleation event

SA Kulkarni, H Meekes, JH Ter Horst - Crystal growth & design, 2014 - ACS Publications
Recently, we identified that the single nucleus mechanism, in which all crystals in the
suspension originate from the same parent single crystal, might occur more generally than is …

Thermochemistry of paracetamol

R Picciochi, HP Diogo… - Journal of thermal analysis …, 2010 - Springer
Combustion calorimetry, Calvet-drop sublimation calorimetry, and the Knudsen effusion
method were used to determine the standard (po= 0.1 MPa) molar enthalpies of formation of …