Shailendra V Bordawekar

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A new technique for the measurement of 3D crystal morphology and identification of its polymorph using tomographic images is proposed. Confocal microscopy is used for the first time to obtain tomographic images of crystals that are coated with a suitable fluorescent dye. A convex polyhedron is fitted through a stack of tomographic images of a crystal to(More)
Crystal morphology is a critical determinant of the physical properties of crystalline materials. Face-specific growth rates can be used to compute dynamic and steady-state morphologies of crystals growing in a specific environment. The synthesis of crystals with desired morphologies requires a framework to guide the selection of environmental conditions.(More)
Current polymorph prediction methods, known as lattice energy minimization, seek to determine the crystal lattice with the lowest potential energy, rendering it unable to predict solvent dependent metastable form crystallization. Facilitated by embarrassingly parallel, multiple replica, large-scale molecular dynamics simulations, we report on a new method(More)
Drying an early stage active pharmaceutical ingredient candidate required excessively long cycle times in a pilot plant agitated filter dryer. The key to faster drying is to ensure sufficient heat transfer and minimize mass transfer limitations. Designing the right mixing protocol is of utmost importance to achieve efficient heat transfer. To this order, a(More)
Nanocrystals are receiving increased attention for pharmaceutical applications due to their enhanced solubility relative to their micron-sized counterpart and, in turn, potentially increased bioavailability. In this work, a computational method is proposed to predict the following: (1) polymorph specific dissolution kinetics and (2) the multiplicative(More)
The synthesis of a key intermediate in the preparation of oral antidiabetic drug Saxagliptin is discussed with an emphasis on the challenges posed by the cyclopropanation of a dihydropyrrole. Kinetic studies on the cyclopropanation show an induction period that is consistent with a change in the structure of the carbenoid reagent during the course of the(More)
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