TY - CONF A1 - Nguyen, Thi Yen A1 - Bernardes, C. E. S. A1 - Minas da Piedade, M. E. A1 - Rademann, K. A1 - Emmerling, Franziska T1 - Guided crystallization: The influence of solvent and concentration N2 - Theoretical and experimental studies indicate that crystal nucleation can take more complex pathways than expected on the ground of the classical nucleation theory. A direct in situ observation of the different pathways of nucleation from solution is challenging since the paths can be influenced by heterogeneous nucleation sites, such as container walls. The custom-made acoustic levitator using in these experiments regulates the influence that solid surfaces, temperature, and humidity have on the crystallization process. The investigations of the crystallization process of paracetamol were performed with in situ analytical techniques and theoretical simulations to gain a comprehensive insight into processes, occurring intermediates, and required reaction conditions. The targeted choice of the solvent and the concentration enabled the guidance of the pathways, therefore, resulting in the isolation of one desired crystalline structure. T2 - Annual COST meeting CY - Lincoln, United Kingdom DA - 25.06.2017 KW - Crystallization KW - Polymorphism KW - Molecular dynamic simulation KW - Pair distribution function analysis KW - XRD PY - 2017 AN - OPUS4-41111 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nguyen, Thi Yen A1 - Bernardes, C. A1 - Minas da Piedade, M. E. A1 - Rademann, K. A1 - Emmerling, Franziska T1 - Direct evidence of polyamorphism in paracetamol N2 - While polymorphism is a common phenomenon in the crystallization processes of organic compounds, polyamorphism has gained importance only recently. Using sophisticated sample environments and applying in situ scattering methods and vibrational spectroscopy, the complete crystallization process of organic compounds from solution can be traced and characterized. Diffuse scattering from amorphous intermediates can be investigated by analyzing the atomic pair Distribution function (PDF) to gain further insights into molecular pre-orientation. The crystallization behavior of Paracetamol was studied exemplarily under defined, surface-free conditions. Based on the choice of the solvent, the formation of different polymorphs is promoted. The thermodynamically stable form I and the metastable orthorhombic form II could be isolated in pure form directly from solution. For both polymorphs, the crystallization from solution proceeds via a distinct amorphous precursor phase. PDF analyses of these different amorphous states indicate a specific pre-orientation of the analyte molecules introduced by the solvent. The resulting crystalline polymorph is already imprinted in these proto-crystalline precursors. Direct experimental evidence for the polyamorphism of paracetamol is provided. T2 - Annual CM1402 crystallize COST meeting CY - Coimbra, Portugal DA - 06.04.2016 KW - Paracetamol KW - Crystallization KW - In situ analysis KW - Active pharmaceutical ingredient (API) PY - 2016 AN - OPUS4-35873 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nguyen, Thi Yen A1 - Rademann, K. A1 - Emmerling, Franziska T1 - Paracetamol: Polymorphs and Intermediates T2 - BESSY Usermeeting 2015 CY - Berlin-Adlershof, Germany DA - 2015-12-10 PY - 2015 AN - OPUS4-35260 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nguyen, Thi Yen A1 - Rademann, K. A1 - Emmerling, Franziska T1 - Paracetamol: Polymorphs and Intermediates T2 - COST Summer-School 2015 CY - Berlin-Adlershof, Germany DA - 2015-11-23 PY - 2015 AN - OPUS4-35261 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nguyen, Thi Yen A1 - Gnutzmann, Tanja A1 - Rademann, K. A1 - Emmerling, Franziska T1 - In-situ-Charakterisierung der Kristallisation organischer Polymorphe T2 - Workshop "Zeit- und temperaturaufgelöste Röntgen-Pulver-Diffraktometrie CY - Pfinztal, Germany DA - 2013-11-14 PY - 2013 AN - OPUS4-29830 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nguyen, Thi Yen A1 - Gnutzmann, Tanja A1 - Rademann, Klaus A1 - Emmerling, Franziska T1 - In situ characterization of crystallization processes T2 - BESSY Usermeeting 2013 CY - Berlin, Germany DA - 2013-12-05 PY - 2013 AN - OPUS4-30022 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -