A5059970635- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Analytical Chemistry and Chromatography
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Crystallography and molecular interactions
- Analytical Methods in Pharmaceuticals
- Synthesis and Characterization of Heterocyclic Compounds
- Synthesis and biological activity
- Synthesis and Reactivity of Sulfur-Containing Compounds
- Crystal structures of chemical compounds
- Synthesis and Reactions of Organic Compounds
- Fluorine in Organic Chemistry
- Synthesis of heterocyclic compounds
- Cancer, Hypoxia, and Metabolism
- Terahertz technology and applications
- Enzyme function and inhibition
- Lanthanide and Transition Metal Complexes
- Chemical Reactions and Mechanisms
- Spectroscopy and Laser Applications
- Drug-Induced Hepatotoxicity and Protection
- Synthesis and properties of polymers
- Phenothiazines and Benzothiazines Synthesis and Activities
- Metabolism and Genetic Disorders
- nanoparticles nucleation surface interactions
- Molecular Spectroscopy and Structure
University of Southampton
2003-2024
Inserm
2012
Centre National de la Recherche Scientifique
2012
University of Huddersfield
2003
University of York
1996-2001
May Institute
1979
Analytisches Laboratorium
1961-1963
Ostwald proposed that the solid first formed on crystallisation of a melt or solution would be least stable polymorph. It is shown this can rationalized basis irreversible thermodynamics, structural relationships, combined consideration statistical thermodynamics and variation with temperature. concluded rule cannot universal law but only in nature possible preferred tendency.
Abstract Es wird eine von Purpurogallin, bzw. Pyrogallol ausgehende Totalsynthese des Colchicins, Hauptalkaloids der Herbstzeitlose, beschrieben.
Dependent on the conditions, crystallisation of polymorphs from solvent may be under kinetic or thermodynamic control. In latter case nature will immaterial in respect polymorph produced. The conditions which each these factors apply are analysed detail. transition point between two dimorphs not present a sharp divide above and below temperature produces high melting low polymorph, respectively. It is shown that even those cases where choice appears to critical this secondary effect related...
Abstract The synthesis and some of the properties cycloheptatriene‐1,6‐dicarboxylic acid its norcaradieneoid anhydride are describe.
This paper reports the hitherto undetermined, but previously predicted, high temperature γ-form of amino acid d,l-norleucine. The transition to proceeds at 391 K and has been characterized by X-ray diffraction, hot-stage microscopy, differential scanning calorimetry. A detailed structural comparison made with redetermined α- γ-forms, which reveals a relative movement layers within crystal lattice concomitant torsional motion in molecular structure.
An NMR crystallographic approach incorporating multinuclear solid state (SSNMR), X-ray structure determinations and density functional theory (DFT) are used to characterise the H bonding arrangements in benzoic acid (BZA) corresponding Group I alkali metal hydrogen dibenzoates (HD) systems. Since XRD data often cannot precisely confirm proton position within bond, relationship between experimental SSNMR parameters ability of gauge included plane augmented wave (GIPAW) DFT predict them...
Crystals of sulfathiazole, 4-amino-N-thiazol-2-ylidenebenzenesulfonamide, C 9 H N 3 O 2 S , formed from boiling water are shown to be a fifth polymorph. The crystal structure contains two independent molecules, which associate through hydrogen bonds and van der Waals interactions produce two-dimensional sheet structure.
There are many accounts of inert seeds that grow only slowly and fail to proliferate. In the normal course unseeded crystallisation this results in a latent period between first cloud point or crystal precipitation main event. However, similar behaviour has been also observed seeded crystallisations. Even smooth curve may hide periods nucleation proliferation within it. Latent have often during crystallisation, but infrequently recognised. reports critical seed sizes below which they do not...
The dependence of crystal structure assembly on molecular changes is studied for a series monosubstituted acetanilide compounds. A library 81 structures obtained from the Cambridge Structural Database, structural similarities are determined, and energetic preferences assessed. Two dominant amide–amide hydrogen bond geometries stack frequently observed especially in para-acetanilide subgroup. In all cases, amide functional group has greater effect chain geometry resultant packing than phenyl...
The structures of 27 monosubstituted mandelic acids, including several their polymorphs, plus unsubstituted acid itself (two polymorphs) are investigated for structural similarity.
The solid forms of acetaldehyde phenylhydrazone were investigated in detail over a century ago, with curious results: it was reported that low melting form could be transformed into high by trace alkali, and the reverse process brought about acid. Our reinvestigation this puzzle modern instrumentation has shown all samples, although exhibiting sharp points varying from 56 to 101 °C, have identical IR solid-state NMR spectra crystal structures. studies melts provided key understanding strange...
Patterns of hydrogen bonds are described in a set 101 crystal structures containing sulfathiazole. Topological analysis the hydrogen-bond nets is augmented by comparison shapes nodes extracted from each net.
Sulfathiazole shows one of the most extensive solid-form landscapes known to date for an active pharmaceutical ingredient. A standardised structure set 5 polymorphs, 59 co-crystals, 29 salts, and 3 other structures is established.
A versatile setup based on terahertz time-domain spectroscopy was developed to monitor the process of crystallization and characterize structure crystals as well dynamics solvent <italic xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">in situ</i> . The can be used investigate processes over a wide range temperatures, either under static conditions or during continuous flow. An attached optical imaging probe in parallel investigation. implementation...
A versatile setup based on terahertz time-domain spectroscopy was developed to monitor the process of crystallisation and characterise structure crystals as well dynamics solvent in situ. The can be used investigate processes over a wide range temperature, either under static conditions or during continuous flow. An attached optical imaging probe parallel investigation. implementation offers great opportunity dielectric relaxation vibrational modes characteristic for crystalline phases...