By Rajni Miglani Bhardwaj
This thesis investigates various experimental and computational techniques for the invention of strong varieties. moreover, we achieve, as readers, a greater figuring out of the foremost elements underpinning solid-structure and variety. an immense a part of this thesis highlights experimental paintings performed on structurally very related compounds. one other very important part includes the effect of small adjustments in constitution and substituents on solid-structure and variety utilizing computational instruments together with crystal constitution prediction, PIXEL calculations, Xpac, Mercury and statistical modeling instruments. additionally, the writer provides a quick established procedure for solid-state shape screening utilizing Raman microscopy on multi-well plates to discover the experimental crystallization house. This thesis illustrates a cheap, functional and exact method to are expecting the crystallizability of natural compounds in line with molecular constitution by myself, and also highlights the molecular components that inhibit or advertise crystallization.
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Extra info for Control and Prediction of Solid-State of Pharmaceuticals : Experimental and Computational Approaches
Fast solvent evaporation (on watch glass) of clozapine at room temperature . . . . . . . . . . . . Cooling crystallisation of clozapine on React Array . Grinding results of clozapine . . . . . . . . . X-ray crystallographic crystal data, data collection and refinement details for clozapine and its solvates . . . Solvent evaporation of loxapine at room temperature . Cooling crystallisation of loxapine on React array . . Fast solvent evaporation (on watch glass) of loxapine at room temperature .
X-ray crystallographic crystal data, data collection and refinement details for loxapine succinate and its monohydrate . . . . . . . . . . . . ..... 209 ..... 210 214 ..... 215 216 ..... ..... 217 226 226 ..... 227 ..... 228 ..... ..... 229 230 231 ..... ..... 232 234 235 ..... 235 ..... 236 ..... 1 Background Pharmaceutical products frequently display multiple solid-state forms of the same chemical entity including polymorphs, salts, solvates, co-crystals and amorphous solids.
209 ..... 210 214 ..... 215 216 ..... ..... 217 226 226 ..... 227 ..... 228 ..... ..... 229 230 231 ..... ..... 232 234 235 ..... 235 ..... 236 ..... 1 Background Pharmaceutical products frequently display multiple solid-state forms of the same chemical entity including polymorphs, salts, solvates, co-crystals and amorphous solids. ), *80 % of the screened compounds exhibited multiple solid-state forms (Stahly 2007). Sometimes, the properties of two solid forms of a drug do not show substantial differences however they can, and often do, vary substantially with potentially signiﬁcant impact on important physicochemical properties including solubility that may impact on the ease of manufacturing, stability of the drug in a formulated dosage form as well as bioavailability (Huang and Tong 2004; Llinàs and Goodman 2008).