A5039529748- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Metal-Organic Frameworks: Synthesis and Applications
- Advanced NMR Techniques and Applications
- Computational Drug Discovery Methods
- Ophthalmology and Visual Impairment Studies
- Magnetic confinement fusion research
- Chemical and Physical Properties in Aqueous Solutions
- Drug Solubulity and Delivery Systems
- Asymmetric Hydrogenation and Catalysis
- Quinazolinone synthesis and applications
- Molecular spectroscopy and chirality
- Supramolecular Chemistry and Complexes
- Intraocular Surgery and Lenses
- Enzyme Structure and Function
- Laser-Plasma Interactions and Diagnostics
- Crystal structures of chemical compounds
- Ocular Surface and Contact Lens
- Analytical Chemistry and Chromatography
- Corneal surgery and disorders
Eli Lilly (United States)
2014-2019
University of South Florida
2003-2006
University of Michigan
2003
The crystal engineering design strategy facilitates supramolecular synthesis of 13 new crystalline phases carbamazepine (CBZ), an analgesic and anticonvulsant with known problems related to solubility polymorphism. CBZ forms complexes the following molecules, all which are complementary in terms hydrogen bonding can therefore act as cocrystal formers: acetone (1a); DMSO (1b); benzoquinone (1c); terephthalaldehyde (1d); saccharin (1e); nicotinamide (1f); acetic acid (1g); formic (1h); butyric...
The elusive form II of aspirin has been obtained during co-crystallization experiments with levetiracetam or acetamide, and it characterized by IR, DSC, HPLC, single-crystal X-ray diffraction.
The carboxylic acid-primary amide supramolecular heterosynthon is exploited for the generation of pharmaceutical co-crystals that contain two active ingredients are polymorphic in their pure forms.
The solid form screening of galunisertib produced many solvates, prompting an extensive investigation into possible risks to the development favored monohydrate form. Inspired by crystal structure prediction, search for neat polymorphs was expanded unusual range experiments, including melt crystallization under pressure, work around solvate formation and thermal instability molecule. Ten were found; however, predicted be most stable has yet obtained. We present structures all ten unsolvated...
Abstract A Cambridge Structural Database study of supramolecular synthons involving primary amides reveals that 84% form amide-amide dimers, whereas 14% catemers in the absence other competing hydrogen bond donors and/or acceptors. However presence chemically different but complementary functional groups, e.g. , carboxylic acids or aromatic nitrogen moieties, tend to heterosynthons. Supramolecular heterosynthons represent an opportunity for design multi-component crystals (co-crystals) which...
Solid form screening and crystal structure prediction (CSP) calculations were carried out on two related molecules, 3-(4-(benzo[d]isoxazole-3-yl)piperazin-1-yl)-2,2-dimethylpropanoic acid (B5) 3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic (DB7). Only one anhydrate was crystallized for B5, whereas multiple solid forms, including three neat polymorphs, found DB7. The of B5 is P21/n Z′ = 1 with intramolecular hydrogen bonding, Forms I II DB7 are conformational...
Elucidating the crystal structures, transformations, and thermodynamics of two zwitterionic hydrates (Hy2 HyA) 3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid (DB7) rationalizes complex interplay temperature, water activity, pH on solid form stability transformation pathways to three neutral anhydrate polymorphs (Forms I, II°, III). HyA contains 1.29 1.95 molecules per DB7 zwitterion (DB7z). Removal essential stabilizing causes it collapse an amorphous phase,...
Elucidating the structure relationships and transformation pathways of solid forms gandotinib was an enormous challenge. Only seven eleven experimentally observed crystallized directly from solution: a neat form (I), tetrahydrate (Hy4), 3.0–3.7-hydrate (HyY), four solvates (methanol, n-propanol, n-butanol, N-methyl-2-pyrrolidone). The remaining (II, Hy2.2, Hy1.3, HyX) were produced by dehydration and/or rehydration processes. Interconversion anhydrates hydrates with small changes in relative...
Almost twenty years after the crystal polymorphism of tazofelone was first studied at Lilly, compound revisited by calculating energy landscape and complementing calculations with experimental work for calibration purposes. The structure prediction study confirmed stability racemic form II (RCII) showed that had greater potential than single enantiomer. seeding experiment has previously been shown to produce a solid solution (SS) correlates isostructurality between some low structures...
Single crystal X-ray analysis of butylated hydroxy anisole (BHA) reveals the existence two polymorphs with dramatically different packings sustained by OH⋯ether supramolecular heterosynthons: double helices (Form I) and discrete hexameric assemblies II).