Structure and dynamics of monohydroxy alcohols—Milestones towards their microscopic understanding, 100 years after Debye
In 1913 Debye devised a relaxation model for application to the dielectric properties of water
and alcohols. These hydrogen-bonded liquids continue to be studied extensively because …
and alcohols. These hydrogen-bonded liquids continue to be studied extensively because …
Current research trends in dielectric relaxation studies of amorphous pharmaceuticals: Physical stability, tautomerism, and the role of hydrogen bonding
J Knapik-Kowalczuk, M Rams-Baron… - TrAC Trends in Analytical …, 2021 - Elsevier
Alarming statistics showing the continuous increase in the number of drugs and drug
candidates with insufficient water-solubility focus scientist's efforts on finding optimal strategy …
candidates with insufficient water-solubility focus scientist's efforts on finding optimal strategy …
Impact of hydrogen bonding on dynamics of hydroxyl-terminated polydimethylsiloxane
Dielectric spectroscopy, rheology, and differential scanning calorimetry were employed to
study the effect of chain-end hydrogen bonding on the dynamics of hydroxyl-terminated …
study the effect of chain-end hydrogen bonding on the dynamics of hydroxyl-terminated …
Slow rheological mode in glycerol and glycerol–water mixtures
MH Jensen, C Gainaru, C Alba-Simionesco… - Physical Chemistry …, 2018 - pubs.rsc.org
Glycerol–water mixtures were studied at molar concentrations ranging from xgly= 1 (neat
glycerol) to xgly= 0.3 using shear mechanical spectroscopy. We observed a low frequency …
glycerol) to xgly= 0.3 using shear mechanical spectroscopy. We observed a low frequency …
Looking into the dynamics of molecular crystals of ibuprofen and terephthalic acid using 17O and 2H nuclear magnetic resonance analyses
C Chen, I Goldberga, P Gaveau… - Magnetic …, 2021 - Wiley Online Library
Oxygen‐17 and deuterium are two quadrupolar nuclei that are of interest for studying the
structure and dynamics of materials by solid‐state nuclear magnetic resonance (NMR) …
structure and dynamics of materials by solid‐state nuclear magnetic resonance (NMR) …
Reducing crystal structure overprediction of ibuprofen with large scale molecular dynamics simulations
NF Francia, LS Price, M Salvalaglio - CrystEngComm, 2021 - pubs.rsc.org
The control of the crystal form is a central issue in the pharmaceutical industry. The
identification of putative polymorphs through Crystal Structure Prediction (CSP) methods is …
identification of putative polymorphs through Crystal Structure Prediction (CSP) methods is …
Effects of cooling rate on structural relaxation in amorphous drugs: elastically collective nonlinear langevin equation theory and machine learning study
Theoretical approaches are formulated to investigate the molecular mobility under various
cooling rates of amorphous drugs. We describe the structural relaxation of a tagged …
cooling rates of amorphous drugs. We describe the structural relaxation of a tagged …
Molecular dynamics and physical stability of ibuprofen in binary mixtures with an acetylated derivative of maltose
K Grzybowska, A Grzybowski… - Molecular …, 2020 - ACS Publications
In this paper, we explore the strategy increasingly used to improve the bioavailability of
poorly water-soluble crystalline drugs by formulating their amorphous solid dispersions. We …
poorly water-soluble crystalline drugs by formulating their amorphous solid dispersions. We …
Mixed Debye-type liquids studied by dielectric, shear mechanical, nuclear magnetic resonance, and near-infrared spectroscopy
S Bauer, K Moch, P Münzner, S Schildmann… - Journal of Non …, 2015 - Elsevier
Monohydroxy alcohols have been in the focus of scientific research for a long time and their
Debye (-like) process was studied predominantly using dielectric spectroscopy. However, a …
Debye (-like) process was studied predominantly using dielectric spectroscopy. However, a …
Mapping isobaric aging onto the equilibrium phase diagram
K Niss - Physical Review Letters, 2017 - APS
The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are
measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This …
measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This …