Doris BraunDoris Braun, Priv.-Doz. Mag. Dr.
Senior Scientist

Phone: +43 512 507 58652
Mail: doris.braun@uibk.ac.at

University of Innsbruck, Institute of Pharmacy, Pharmaceutical Technology
Josef-Moeller-Haus, Innrain 52c, A-6020 Innsbruck, Austria

                  
Biography

                  
Publications

                  
Research

                  
Teaching

 

ResearchGate

Original research articles

2019

Doris E. Braun*, Jennifer A. McMahon, Rajni M. Bhardwaj, Jonas Nyman, Marcus A. Neumann, Jacco van de Streek, Susan M. Reutzel-Edens*; Inconvenient Truths about Solid Form Landscapes Revealed in the Polymorphs and Hydrates of Gandotinib. Growth Des. 2019, 19, 5947−2962, DOI: 10.1021/acs.cgd.9b00162.

Doris E. Braun*, Martin Vickers and Ulrich J. Griesser; Dapsone Form V: A Late Appearing Thermodynamic Polymorph of a Pharmaceutical. Pharmaceutics 2019, 16, 3221−3236, DOI: 10.1021/acs.molpharmaceut.9b00419.

Doris E. Braun*; Experimental and computational approaches to rationalise multicomponent supramolecular assemblies: dapsone monosolvates. Phys. Chem. Chem. Phys. 2019, 21, 17288-17305, DOI: 10.1039/c9cp02572c.

Doris E. Braun*, Thomas Gelbrich and Ulrich J. Griesser; Experimental and Computational Approaches to Produce and Characterise Isostructural Solvates. CrystEngComm, accepted, DOI: 1039/C9CE00856J.

2018

Doris E. Braun* and Ulrich J. Griesser. Supramolecular Organization of Nonstoichiometric Drug Hydrates: Dapsone. in Chem. 2018, Vol. 6, Article 31, DOI: 10.3389/fchem.2018.00031.

Addicoat, C. S. Adjiman, M. Arhangelskis, G. J. O. Beran, J. G. Brandenburg, D. E. Braun, V. Burger, A. Burow, C. Collins, A. Cooper, G. M. Day, V. L. Deringer, M. S. Dyer, A. Hare, K. E. Jelfs, J. Keupp, S. Konstantinopoulos, Y. Li, Y. Ma, N. Marom, D. McKay, C. Mellot-Draznieks, S. Mohamed, M. Neumann, S. Nilsson Lill, J. Nyman, A. R. Oganov, S. L. Price, S. Reutzel-Edens, M. Ruggiero, G. Sastre, R. Schmid, J. Schmidt, J. C. Schon, P. Spackman, S. Tsuzuki, S. M. Woodley, S. Yang, Q. Zhu; Structure searching methods: general discussion. Faraday Discuss. 2018, 211, 133-180, DOI: 10.1039/c8fd90030b.

Addicoat, C. S. Adjiman, M. Arhangelskis, G. J. O. Beran, D. Bowskill, J. G. Brandenburg, D. E. Braun, V. Burger, J. Cole, A. J. Cruz-Cabeza, G. M. Day, V. L. Deringer, R. Guo, A. Hare, J. Helfferich, J. Hoja, L. Iuzzolino, S. Jobbins, N. Marom, D. McKay, J. B. O. Mitchell, S. Mohamed, M. Neumann, S. Nilsson Lill, J. Nyman, A. R. Oganov, P. Piaggi, S. L. Price, S. Reutzel-Edens, I. Rietveld, M. Ruggiero, M. R. Ryder, G. Sastre, J. C. Schon, C. Taylor, A. Tkatchenko, S. Tsuzuki, J. van den Ende, S. M. Woodley, G. Woollam, Q. Zhu; Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion. Faraday Discuss. 2018, 211, 325-381, DOI: 10.1039/C8FD90031K.

S. Adjiman, J. G. Brandenburg, D. E. Braun, J. Cole, C. Collins, A. I. Cooper, A. J. Cruz-Cabeza, G. M. Day, M. Dudek, A. Hare, L. Iuzzolino, D. McKay, J. B. O. Mitchell, S. Mohamed, S. Neelamraju, M. Neumann, S. Nilsson Lill, J. Nyman, A. R. Oganov, S. L. Price, A. Pulido, S. Reutzel-Edens, I. Rietveld, M. T. Ruggiero, J. C. Schon, S. Tsuzuki, J. van den Ende, G. Woollam, Q. Zhu; Applications of crystal structure prediction - organic molecular structures: general discussion. Faraday Discuss. 2018, 211, 493-539, DOI: 10.1039/c8fd90032a.

Doris E. Braun*, Martin Lampl, Klaus Wurst, Volker Kahlenberg, Ulrich J. Griesser, Herwig Schottenberger; Computational and analytical approaches for investigating hydrates: The neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate. CrystEngComm, 2018, 20, 7826-7837, DOI: 10.1039/c8ce01565a.

2017

Hummel, M. Markiewicz, S. Stolte, M. Noisternig, D. E. Braun, T. Gelbrich, U. J. Griesser, G. Partl, B. Naier, K. Wurst, B. Krüger, H. Kopacka, G. Laus, H. Huppertz and H. Schottenberger*; Phase-out-compliant uorosurfactants: unique methimazolium derivatives including room temperature ionic liquids. Green Chem. 2017, 19, 3225-3237, DOI: 10.1039/c7gc00571g.

Doris E. Braun*, Volker Kahlenberg and Ulrich J. Griesser; Experimental and Computational Hydrate Screening: Cytosine, 5Flucytosine, and Their Solid Solution. Cryst. Growth Des. 2017, 17, 4347−4364, DOI: 10.1021/acs.cgd.7b00664.

Doris E. Braun* and Ulrich J. Griesser; Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine. CrystEngComm 2017, 19, 3566–3572 ; DOI: 10.1039/c7ce00939a, DOI: 1039/c7ce00939a.

Doris E. Braun, Sreenivas R. Lingireddy, Mark D. Beidelschies, Rui Guo, Peter Müller, Sarah L. Price and Susan M. Reutzel-Edens*; Unraveling complexity in the solid form screening of a pharmaceutical salt: Why so many forms? Why so few? Growth Des. 2017, 17, 5349−5365, DOI: 10.1021/acs.cgd.7b00842.

Doris E. Braun*, Hannes Krüger, Volker Kahlenberg and Ulrich J. Griesser; Molecular Level Understanding of the Reversible Phase Transformation between Forms III and II of Dapsone. Growth Des. 2017, 17, 5054−5060, DOI: 10.1021/acs.cgd.7b01089.

Doris E. Braun*, Anna Schneeberger and Ulrich J. Griesser; Understanding the Role of Water in 1,10-Phenanthroline Monohydrate. CrystEngComm 2017, 19, 6133−6145, DOI: 10.1039/c7ce01371j.

Doris E. Braun*, Katharina Raabe, Anna Schneeberger, Volker Kahlenberg and Ulrich J. Griesser; New Insights into Solid-From Stability and Hydrate Formation: o-Phenanthroline HCl and Neocuproine HCl. Molecules 2017, 22, 2238, DOI:10.3390/molecules22122238.

2016

Doris E. Braun*, Herbert Oberacher, Kathrin Arnhard, Maria Orlova and Ulrich J. Griesser; 4-Aminoquinaldine monohydrate polymorphism: prediction and impurity aided discovery of a difficult to access stable form. CrystEngComm 2016, 18, 4053-4067, DOI: 10.1039/c5ce01758k.

Sarah L. Price*, Doris E. Braun and Susan M. Reutzel-Edens; Can computed crystal energy landscapes help understand pharmaceutical solids? Commun. 2016, 52, 7065-7077, DOI: 10.1039/c6cc00721j.

Doris E. Braun*, Thomas Gelbrich, Klaus Wurst and Ulrich J. Griesser; Computational and Experimental Characterization of Five Crystal Forms of Thymine: Packing Polymorphism, Polytypism/Disorder, and Stoichiometric 0.8-Hydrate. Growth Des. 2016, 16, 3480-3496, DOI: 10.1021/acs.cgd.6b00459.

Doris E. Braun*, Karol P. Nartowski, Yaroslav Z. Khimyak, Kenneth R. Morris, Stephen R. Byrn and Ulrich J. Griesser; Structural Properties, Order−Disorder Phenomena, and Phase Stability of Orotic Acid Crystal Forms. Pharmaceutics 2016, 13, 1012−1029, DOI: 10.1021/acs.molpharmaceut.5b00856.

Thomas Gelbrich*, Doris E. Braun and Ulrich J. Griesser; Specific energy contributions from competing hydrogenbonded structures in six polymorphs of phenobarbital. Cent. J. 2016, 10:8, DOI: 10.1186/s13065-016-0152-5.

Thomas Gelbrich*, Doris E. Braun, Stefan Oberparleiter, Herwig Schottenberger and Ulrich J. Griesser; The Hydrogen Bonded Structures of Two 5-Bromobarbituric Acids and Analysis of Unequal C5–X and C5–X1 Bond Lengths (X = X1 = F, Cl, Br or Me) in 5,5-Disubstituted Barbituric Acids. Crystals 2016, 6, 47, DOI: 10.3390/cryst6040047.

Doris E. Braun* and Ulrich J. Griesser; Stoichiometric and Nonstoichiometric Hydrates of Brucine. Growth Des. 2016, 16, 6111−6121, DOI: 10.1021/acs.cgd.6b01231.

Doris E. Braun* and Ulrich J. Griesser. Why Do Hydrates (Solvates) Form in Small Neutral Organic Molecules? Exploring the Crystal Form Landscapes of the Alkaloids Brucine and Strychnine. Growth Des. 2016, 16, 6405-6418, DOI: 10.1021/acs.cgd.6b01078.

Volker Kahlenberg*, Doris E. Braun, Hannes Krüger, Daniela Schmidmair and Maria Orlova; Temperature and moisturedependent studies on alunogen and the crystal structure of metaalunogen determined from laboratory powder diffraction data. Chem. Miner. 2017, 44, 95−107, DOI: 10.1007%2Fs00269-016-0840-7.

2015

Robert Salchner, Gerhard Laus, Simone Haslinger, Volker Kahlenberg, Klaus Wurst, Doris Braun, Stefan Vergeiner, Holger Kopacka, Herwig Schottenberger*, Alan Puckowski, Marta Markiewicz, Stefan Stolte and Sven Nerdinger*; Structural and Ecotoxicological Profile of n-Alkoxymorpholinium-based ionic liquids. Heterocylces 2015, 90, 1018–1037, DOI: 10.3987/COM-14-S(K)73.

Martin Lampl, Gerhard Laus, Doris E. Braun, Volker Kahlenberg, Klaus Wurst, Gerda Fuhrmann, Herwig Schottenberger and Hubert Huppertz*; New crystal structures in the realm of 5,5′-azotetrazolates. Z. Naturforsch. 2015; 70, 125–134, DOI: 10.1515/znb-2014-0222.

Volker Kahlenberg*, Doris E. Braun and Maria Orlova; Investigations on alunogen under Mars-relevant temperature conditions: An example for a single-crystal-to-single-crystal phase transition. American Mineralogist 2015, 100, 2548–2558, DOI: 10.2138/am-2015-5342.

Doris E. Braun*, Lien H. Koztecki, Jennifer A. McMahon, Sarah L. Price and M. Reutzel-Edens; Navigating the Waters of Unconventional Crystalline Hydrates. Pharmaceutics 2015, 12, 3069−3088, DOI: 10.1021/acs.molpharmaceut.5b00357.

Doris E. Braun*Thomas Gelbrich, Volker Kahlenberg and Ulrich J. Griesser; Solid state forms of 4-aminoquinaldine – from void structures with and without solvent inclusion to close packing. CrystEngComm 2015, 17, 2504–2516, (DOI).

Karol P. Nartowski, J. Tedder, Doris E. Braun, Laszlo Fabian and Yaroslav Z. Khimyak*; Building solids inside nano-space: from confined amorphous through confined solvate to confined ‘metastable’ polymorph. Chem. Chem. Phys. 2015, 17, 24761-24773, DOI: 10.1039/c5cp03880d.

2014

Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J. Insights into Hydrate Formation and Stability of Morphinanes from a Combination of Experimental and Computational Approaches. Molecular Pharmaceutics (2014), 11, 3145-3163. (DOI)

Braun, Doris E.; Orlova, Maria; Griesser, Ulrich J. Creatine: Polymorphs Predicted and Found. Crystal Growth & Design (2014), 14, 4895-4900. (DOI)

Salchner, Robert; Laus, Gerhard; Haslinger, Simone; Kahlenberg, Volker; Wurst, Klaus; Braun, Doris E.; Vergeiner, Stefan; Kopacka, Holger; Schottenberger, Herwig; Puckowski, Alan; Markiewicz, Marta; Stolte, Stefan; Nerdinger, Sven. Structural and Ecotoxicological Profile of N-Alkoxymorpholinium-based Ionic Liquids. Heterocycles (2015), Vol. 90, No. 2. (DOI)

Lampl, Martin; Salchner, Robert; Laus, Gerhard; Braun, Doris E.; Kahlenberg, Volker; Wurst, Klaus; Fuhrmann, Gerda; Schottenberger, Herwig; Huppertz, Hubert. New Crystal Structures in the Realm of 5-Aminotetrazolates. Crystals (2014), 4, 439-449. (DOI)

Braun, Doris E.; McMahon, Jennifer A.; Koztecki, Lien H.; Price, Sarah L.; Reutzel-Edens, Susan M. Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape. Crystal Growth & Design 2014, 14, 2056-2072. (DOI)

Salchner, Robert; Kahlenberg, Volker; Lackner, Roman; Wurst, Klaus; Braun, Doris; Laus, Gerhard; Schottenberger, Herwig. Synthesis and Crystal Structures of 1,1′-Methylene bis(imidazolidine-2,4-dione) and Alkali Metal Salts. Crystals 2014, 4, 1-10. (DOI).

2013

Braun, Doris E.; Bhardwaj, Rajni M.; Arlin, Jean-Baptiste; Florence, Alastair J; Kahlenberg, Volker; Griesser, Ulrich J.; Tocher, Derek A; Price, Sarah L. Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate. Crystal Growth & Design 2013, 13, 4071-4083. (DOI)

Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J. Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences. Crystal Growth & Design 2013, 13, 1026-1217. (DOI)

Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J; Tocher, Derek A.; Price, Sarah L. Complex Polymorphic System of Gallic Acid—Five Monohydrates, Three Anhydrates, and over 20 Solvates. Crystal Growth & Design (2013), 13(1), 19-23. (DOI)

Gelbrich, Thomas; Braun, Doris E.; Griesser, Ulrich J. Stable polymorph of morphine. Acta Crystallographica E (2013), 69(1), o2. (DOI)

2012

Gelbrich, Thomas; Braun, Doris E.; Griesser, Ulrich J. Morphine hydrochloride anhydrate. Acta Crystallographica E (2012), 68(12), o3358-o3359. (DOI)

Braun, Doris E.; Tocher, Derek A.; Price, Sarah L.; Griesser, Ulrich J. The complexity of hydration of phloroglucinol: a comprehensive structural and thermodynamic characterization. Journal of Physical Chemistry B (2012), 116, 3961-3972. (DOI)  

Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L. Screening for cocrystals of succinic acid and 4-aminobenzoic acid. CrystEngComm (2012), 14, 2454-2464. (DOI

2011

Braun, Doris E.; Ardid-Candel, Miguel; D’Oria, Emiliana; Karamertzanis, Panagiotis G; Arlin, Jean-Baptiste; Florence, Alastair J.; Jones, Alan G.; Price, Sarah L. Racemic Naproxen: a multi-disciplinary structural and thermodynamic comparison with the enantiopure form. Crystal Growth & Design (2011), 11(12), 5659-5669. (DOI)

Bardwell, David A.; Adjiman,Claire S.; Arnautova, Yelena A.; Bartashevich, Ekaterina; Boerrigter, Stephan X. M.; Braun, Doris E.; Cruz-Cabeza, Aurora J.; Day, Graeme M.; Della Valle, Raffaele G.; Desiraju, Gautam R.; van Eijck, Bouke P., Facelli, Julio C.; Ferraro, Marta B.; Grillo, Damian; Habgood, Matthew; Hofmann, Detlef W. M.; Hofmann, Fridolin; Jovan Jose, K. V.; Karamertzanis, Panagiotis G.; Kazantsev, Andrei V.; Kendrick, John; Kuleshova, Liudmila N.; Leusen, Frank J. J.; Maleev, Andrey V.; Misquitta, Alston J.; Mohamed, Sharmarke; Needs, Richard J.; Neumann, Marcus A.; Nikylov, Denis; Orendt, Anita M.; Pal, Rumpa; Pantelides, Constantinos C.; Pickard, Chris; Price, Louise S.; Price, Sarah L.; Scheraga, Harold A.; van de Streek, Jacco; Thakur, Tejender S.; Tiwari, Siddharth; Venuti, Elisabetta; Zhitkov, Ilia K. Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test. Acta Crystallographica B (2011), 67, 535 – 551. (DOI)

Eccles, Kevin S.; Deasy, Rebecca E.; Fábián, László; Braun, Doris E.; Maguire, Anita R.; Lawrence, Simon E. Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation. CrystEngComm (2011), 13 (23), 6923 – 6925. (DOI)

Maas, Stephan G.; Schaldach, Gerhard; Littringer, Eva M.; Mescher, Axel; Griesser, Ulrich J.; Braun, Doris E.; Walzel, Peter E.; Urbanetz, Nora A. The impact of spray drying outlet temperature on the particle morphology of mannitol. Powder Technology. (2011), 213, 27-35. (DOI

Braun, Doris E.; Karamertzanis, Panagiotis G. and Price, Sarah L. Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids. Chemical Communications (2011), 47, 5443-5445. (DOI

Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J. and Price, Sarah L. Solid-State Forms of β-Resorcylic Acid: How Exhaustive should a Polymorph Screen be? Crystal Growth & Design (2011), 11(1), 210-220. (DOI)

2010

Braun, Doris E.; Maas, Stephan G.; Zencirci, Neslihan; Langes, Christoph; Urbanetz, Nora A.; Griesser, Ulrich J. Simultaneous quantitative analysis of ternary mixtures of D-mannitol polymorphs by FT-Raman spectroscopy and multivariate calibration. International Journal of Pharmaceutics (2010),
385(1-2), 29-36. (DOI

2009

Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Tessadri, Richard; Wieser, Josef and Griesser Ulrich J. Stability of Solvates and Packing Systematics of nine Crystal Forms of the Antipsychotic Drug Aripiprazole. Crystal Growth & Design (2009), 9(2), 1054-1065. (DOI)

Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Tessadri, Richard; Wieser, Josef and Griesser, Ulrich J. Thermochemical and Conformational Polymorphism in Aripiprazole: Preparation, Stability and Structure of Five Modifications. Journal of Pharmaceutical Sciences (2009), 98 (6), 2010-2026. (DOI)

2008

Braun, Doris E.; Kahlenberg, Volker; Gelbrich, Thomas; Ludescher, Johannes and Griesser, Ulrich J. Solid State Characterisation of four Solvates of R-Cinacalcet Hydrochloride. CrystEngComm (2008), 10, 1617-1625. (DOI)

Braun, Doris E.; Többens, Daniel M.; Kahlenberg, Volker; Ludescher, Johannes and Griesser, Ulrich J. Structural and Thermodynamic Features of Crystal Polymorphs of R-Cinacalcet hydrochloride. Crystal Growth & Design (2008), 8(11), 4109-4119. (DOI)

Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Laus, Gerhard; Wieser, Josef and Griesser, Ulrich J. Packing Polymorphism of a Conformationally Flexible Molecule (Aprepitant). New Journal of Chemistry (2008), 32, 1677-1685. (DOI

Braun, Doris E.; Gelbrich, Thomas; Jetti, Ram K. R.; Kahlenberg, Volker; Price, Sarah L. and Griesser, Ulrich J. Colored Polymorphs: Thermochemical and Structural Features of N-Picryl-p-toluidine Polymorphs and Solvates. Crystal Growth & Design (2008), 8(6), 1977-1989. (DOI)

2007

Kachrimanis, Kyriakos; Braun, Doris E. and Griesser, Ulrich J. Quantitative analysis of paracetamol   polymorphs in powder mixtures by FT-Raman spectroscopy and PLS regression. Journal of Pharmaceutical and Biomedical Analysis (2007), 43(2), 407-412. (DOI

Patents

2009

Wieser, Josef; Lengauer, H; Braun, Doris; Griesser,Ulrich; Tessadri, Richard. Polymorph and solvates of aripiprazole. European Patent Office (2009), 09160600.4-1211/2013217.

2008

Ludescher, Johannes; Wieser, Josef; Pichler, Arthur; Griesser, Ulrich; Braun, Doris. Dispersions of stable amorphous form of cinacalcet hydrochloride in a matrix material and their use in pharmaceutical compositions. PCT Int. Appl. (2008), WO 2008104512 A2.

Ludescher, Johannes; Griesser, Ulrich; Braun, Doris; Wieser, Josef. Crystalline polymorphic form of cinacalcet and use for pharmaceutical compns. comprising the acetic acid solvate of cinacalcet hydrochloride, for the treatment of hyperparathyroidism and hypercalcemia. PCT Int. Appl. (2008), WO 2008000423 A1.

Ludescher, Johannes; Griesser, Ulrich; Braun, Doris; Wieser, Josef. Polymorphic form of aprepitant. PCT Int. Appl. (2008), WO 2008000422 A1.

2006

Braun, Doris; Griesser, Ulrich; Tessadri, Richard; Lengauer, Hannes; Wieser, Josef. Preparation of novel polymorphic forms of aripiprazole. PCT Int. Appl. (2006), WO 2006079548 A1.

 

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