Phys Chem Chem Phys 2010 Jan 20;12(3):708-12. Epub 2009 Nov 20.
Institute of Physical Chemistry, University of Innsbruck, Innrain 52a, A-6020 Innsbruck, Austria.
J Phys Chem Lett 2021 Feb 1;12(5):1453-1460. Epub 2021 Feb 1.
Pharmaceutical Sciences, Abbvie, 2525 Dupont Drive, Irvine, California 92612, United States.
Mannitol, a common pharmaceutical ingredient, exhibits complex polymorphism even in simple binary mannitol/water mixtures, with four crystalline forms observed. In this investigation, time/temperature-resolved synchrotron X-ray diffraction measurements are performed during freezing and thawing of mannitol/water mixtures. Mannitol crystallization depends strongly on the cooling rate and is initiated during cooling, if the cooling rate is lower than the critical cooling rate; otherwise, mannitol remains amorphous during freezing and crystallizes during subsequent heating above -30 °C. Read More
Acc Chem Res 2021 Feb 14;54(3):471-480. Epub 2021 Jan 14.
Institute of Low Temperature Science, Hokkaido University, N19-W8, Kita-ku, Sapporo, Hokkaido 060-0819, Japan.
ConspectusBecause chemical reactions on/in cosmic ice dust grains covered by amorphous solid water (ASW) play important roles in generating a variety of molecules, many experimental and theoretical studies have focused on the chemical processes occurring on the ASW surface. In laboratory experiments, conventional spectroscopic and mass-spectrometric detection of stable products is generally employed to deduce reaction channels and mechanisms. However, despite their importance, the details of chemical reactions involving reactive species (i. Read More
Phys Chem Chem Phys 2021 Jan;23(3):2275-2285
ICMN, UMR7374, CNRS, Université d'Orléans, 1b, Rue de la Férollerie, 45071, Orléans Cedex 2, France.
Between 150 and 230.6 K, bulk supercooled water freezes upon cooling, and amorphous ice crystallizes upon heating: bulk water thus exists only in its stable ice form. To circumvent this problem, experiments are generally performed on water adsorbed in SiO2 based porous systems. Read More
Acc Chem Res 2021 Jan 30;54(2):323-331. Epub 2020 Dec 30.
Department of Chemistry, Seoul National University, 1 Gwanak-ro, Seoul 08826, South Korea.
ConspectusThe structure and reactivity of a molecule in the condensed phase are governed by its intermolecular interactions with the surrounding environment. The multipole expansion of each molecule in the condensed phase indicates that the intermolecular interactions are essentially electrostatic (e.g. Read More
J Phys Chem A 2021 Jan 28;125(1):387-393. Epub 2020 Dec 28.
Binding energies of the CHO radical on hexagonal water ice () and amorphous solid water (ASW) were calculated using the ONIOM(QM:MM) method. A range of binding energies is found (0.10-0. Read More