Crystal structures of drugs: advances in determination, prediction and engineering
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[1] Changquan Calvin Sun,et al. Improved Tableting Properties of p-Hydroxybenzoic Acid by Water of Crystallization: A Molecular Insight , 2004, Pharmaceutical Research.
[2] Jeffrey S. Tan,et al. Capillary Precipitation of a Highly Polymorphic Organic Compound , 2003 .
[3] Lynne Regan,et al. Engineering and design , 2003 .
[4] R. Suryanarayanan,et al. Racemic species of sodium ibuprofen: characterization and polymorphic relationships. , 2003, Journal of pharmaceutical sciences.
[5] Orn Almarsson,et al. Crystal engineering of novel cocrystals of a triazole drug with 1,4-dicarboxylic acids. , 2003, Journal of the American Chemical Society.
[6] J. McMahon,et al. Crystal engineering of the composition of pharmaceutical phases. , 2003, Chemical communications.
[7] H. Flack. Chiral and Achiral Crystal Structures , 2003 .
[8] S. Byrn,et al. Solid-state nuclear magnetic resonance spectroscopy--pharmaceutical applications. , 2003, Journal of pharmaceutical sciences.
[9] J. Guillory. Handbook of Pharmaceutical Salts: Properties, Selection, and Use Edited by P. Heinrich Stahl and Camile G. Wermuth. VHCA, Verlag Helvetica Chimica Acta, Zürich, Switzerland, and Wiley-VCH, Weinheim, Germany. 2002. vix + 374 pp. 17.5 × 24.5 cm. ISBN 3-906390-26-8. $130.00 , 2003 .
[10] A. Rohl. Computer prediction of crystal morphology , 2003 .
[11] Michael J. Zaworotko,et al. Crystal engineering of the composition of pharmaceutical phases. Do pharmaceutical co-crystals represent a new path to improved medicines? , 2003, Chemical communications.
[12] A. Huq,et al. Three-dimensional structure determination of N-(p-Tolyl)-dodecylsulfonamide from powder diffraction data and validation of structure using solid-state NMR spectroscopy. , 2002, Journal of the American Chemical Society.
[13] D. Braga,et al. Innovation in crystal engineering , 2002 .
[14] Sarah L Price,et al. Crystal structure prediction of small organic molecules: a second blind test. , 2002, Acta crystallographica. Section B, Structural science.
[15] G. W. Turner,et al. Recent advances in opportunities for solving molecular crystal structures directly from powder diffraction data: new insights in crystal engineering contexts , 2002 .
[16] A. Gavezzotti,et al. Ten years of experience in polymorph prediction: what next? , 2002 .
[17] L. S. Taylor,et al. Water dynamics in channel hydrates investigated using H/D exchange. , 2002, International journal of pharmaceutics.
[18] Joel Bernstein,et al. Polymorphism in Molecular Crystals , 2002 .
[19] Gautam R Desiraju,et al. Hydrogen bridges in crystal engineering: interactions without borders. , 2002, Accounts of chemical research.
[20] M. Mutz,et al. Solid State Characterizations of Pharmaceutical Hydrates , 2002 .
[21] W. DeCamp. The Impact of Polymorphism on Drug Development: A Regulator′s Viewpoint , 2002 .
[22] D. Grant,et al. Plasticity and Slip System of Plate-Shaped Crystals of L-Lysine Monohydrochloride Dihydrate , 2002, Pharmaceutical Research.
[23] A. Bond,et al. Structure prediction as a tool for solution of the crystal structures of metallo-organic complexes using powder X-ray diffraction data. , 2002, Acta crystallographica. Section B, Structural science.
[24] Changquan Calvin Sun,et al. Theophylline monohydrate , 2002 .
[25] Roy L. Johnston,et al. Gaining insights into the evolutionary behaviour in genetic algorithm calculations, with applications in structure solution from powder diffraction data , 2002 .
[26] Gautam R. Desiraju,et al. The Supramolecular Synthon Approach to Crystal Structure Prediction , 2002 .
[27] V. Young,et al. Crystal structure and thermal behavior of nedocromil nickel octahydrate. , 2002, International journal of pharmaceutics.
[28] W. Fink,et al. A combined quantum chemistry and classical molecular interaction energy method for the determination of crystal geometries and energies , 2002 .
[29] J. Ulrich,et al. Pseudopolymorphs in Industrial Use , 2001 .
[30] D. Grant,et al. Polymorph screening: influence of solvents on the rate of solvent-mediated polymorphic transformation. , 2001, Journal of pharmaceutical sciences.
[31] Shahin Rd,et al. Spectroscopic methods for determining enantiomeric purity and absolute configuration in chiral pharmaceutical molecules. , 2001 .
[32] C. A. Mitchell,et al. Selective nucleation and discovery of organic polymorphs through epitaxy with single crystal substrates. , 2001, Journal of the American Chemical Society.
[33] F. Leveiller,et al. Ab Initio Crystal Structure Determination of Three Pharmaceutical Compounds from X-Ray Powder Diffraction Data , 2001 .
[34] C. C. Seaton,et al. A combination of X-ray single-crystal diffraction and Monte Carlo structure solution from X-ray powder diffraction data in a structural investigation of 5-bromonicotinic acid and solvates thereof , 2001 .
[35] Changquan Calvin Sun,et al. Influence of Crystal Structure on the Tableting Properties of Sulfamerazine Polymorphs , 2001, Pharmaceutical Research.
[36] Gautam R. Desiraju,et al. The Weak Hydrogen Bond , 2001 .
[37] W. Beckmann,et al. Crystallisation of the Stable Polymorph of Hydroxytriendione: Seeding Process and Effects of Purity , 2001 .
[38] John B. O. Mitchell,et al. The determination of the crystal structure of anhydrous theophylline by X-ray powder diffraction with a systematic search algorithm, lattice energy calculations, and C-13 and N-15 solid-state NMR: A question of polymorphism in a given unit cell , 2001 .
[39] D. Bugay. Characterization of the solid-state: spectroscopic techniques. , 2001, Advanced drug delivery reviews.
[40] K R Morris,et al. Theoretical approaches to physical transformations of active pharmaceutical ingredients during manufacturing processes. , 2001, Advanced drug delivery reviews.
[41] R. Hammond,et al. Determining the Crystal Structures of Organic Solids using X-Ray Powder Diffraction Together with Molecular and Solid State Modeling Techniques , 2001 .
[42] L. S. Taylor,et al. Evaluation of solid-state forms present in tablets by Raman spectroscopy. , 2000, Journal of pharmaceutical sciences.
[43] A. Bond,et al. The Solid-State Structure of 3-Hydroxy-4-methyl-2(3 H )-thiazolethione: Prediction and Measurement , 2000 .
[44] P Verwer,et al. A test of crystal structure prediction of small organic molecules. , 2000, Acta crystallographica. Section B, Structural science.
[45] S. Chemburkar,et al. Dealing with the Impact of Ritonavir Polymorphs on the Late Stages of Bulk Drug Process Development , 2000 .
[46] Roy L. Johnston,et al. Implementation of Lamarckian concepts in a Genetic Algorithm for structure solution from powder diffraction data , 2000 .
[47] G. Stephenson,et al. Structural relationship and desolvation behavior of cromolyn, cefazolin and fenoprofen sodium hydrates. , 2000, International journal of pharmaceutics.
[48] Jan Kroon,et al. Ab Initio Crystal Structure Predictions for Flexible Hydrogen-Bonded Molecules , 2000 .
[49] Roy L. Johnston,et al. Definition of a `guiding function' in global optimization: a hybrid approach combining energy and R-factor in structure solution from powder diffraction data , 2000 .
[50] Jan Kroon,et al. TRANSFERABLE AB INITIO INTERMOLECULAR POTENTIALS. 2. VALIDATION AND APPLICATION TO CRYSTAL STRUCTURE PREDICTION , 1999 .
[51] Gautam R. Desiraju,et al. The Weak Hydrogen Bond: In Structural Chemistry and Biology , 1999 .
[52] L. Chen,et al. Solid-state behavior of cromolyn sodium hydrates. , 1999, Journal of pharmaceutical sciences.
[53] D. Grant,et al. Physical properties of parabens and their mixtures: solubility in water, thermal behavior, and crystal structures. , 1999, Journal of pharmaceutical sciences.
[54] Filippini,et al. Modelling the crystal structure of the 2-hydronitronylnitroxide radical (HNN): observed and computer-generated polymorphs. , 1999, Acta crystallographica. Section B, Structural science.
[55] Gao,et al. Molecular packing groups and ab initio crystal-structure prediction. , 1999, Acta crystallographica. Section A, Foundations of crystallography.
[56] M. Otsuka,et al. Effect of Polymorphic Forms of Bullk Powders on Pharmaceutical Properties of Carbamazepine Granules , 1999 .
[57] H. Brittain. Polymorphism in Pharmaceutical Solids , 1999 .
[58] Lynne B. McCusker,et al. Rietveld refinement guidelines , 1999 .
[59] M. Otsuka,et al. Effects of crystalline form on the tableting compression mechanism of phenobarbital polymorphs. , 1999, Drug development and industrial pharmacy.
[60] S. Toscani. An up-to-date approach to drug polymorphism , 1998 .
[61] S L Nail,et al. Effects of freeze-dry processing conditions on the crystallization of pentamidine isethionate. , 1998, Journal of pharmaceutical sciences.
[62] Kinam Park,et al. Advances in pharmaceutical materials and processing , 1998 .
[63] Roy L. Johnston,et al. The genetic algorithm : Foundations and applications in structure solution from powder diffraction data , 1998 .
[64] G. Stephenson,et al. Physical characterization of polymorphic drugs: an integrated characterization strategy , 1998 .
[65] K. Shankland,et al. Crystal Structure Determination from Powder Diffraction Data by the Application of a Genetic Algorithm , 1998 .
[66] R. Suryanarayanan,et al. Polymorphism in anhydrous theophylline--implications on the dissolution rate of theophylline tablets. , 1997, Journal of pharmaceutical sciences.
[67] Z. Li,et al. Relationship between physical properties and crystal structures of chiral drugs. , 1997, Journal of pharmaceutical sciences.
[68] S. Scheiner. Hydrogen Bonding: A Theoretical Perspective , 1997 .
[69] V. Wadhawan. A tensor classification of twinning in crystals , 1997 .
[70] K. Roberts,et al. Computationally Assisted Structure Determination for Molecular Materials from X-ray Powder Diffraction Data , 1997 .
[71] J. Rollinger,et al. Binary system of (R)- and (S)-nitrendipine--polymorphism and structure. , 1997, Journal of pharmaceutical sciences.
[72] M. Otsuka,et al. Effect of polymorphic transformation during the extrusion-granulation process on the pharmaceutical properties of carbamazepine granules , 1997 .
[73] Bruno C. Hancock,et al. Characteristics and significance of the amorphous state in pharmaceutical systems. , 1997, Journal of pharmaceutical sciences.
[74] G. A. Jeffrey,et al. An Introduction to Hydrogen Bonding , 1997 .
[75] R. S. Payne,et al. The mechanical properties of two forms of primidone predicted from their crystal structures , 1996 .
[76] Kenneth D. M. Harris,et al. Crystal Structure Determination from Powder Diffraction Data , 1996 .
[77] B. Testa,et al. Stereochemical Aspects of Drug Action and Disposition , 1996, Handbook of Experimental Pharmacology.
[78] E. Munson,et al. Physicochemical characterization of nedocromil bivalent metal salt hydrates. 2. Nedocromil zinc. , 1996, Journal of pharmaceutical sciences.
[79] F. Leusen. Ab initio prediction of polymorphs , 1996 .
[80] A. Gavezzotti. Organic crystals: engineering and design , 1996 .
[81] Christopher J. Gilmore,et al. Maximum Entropy and Bayesian Statistics in Crystallography: a Review of Practical Applications , 1996 .
[82] T. Threlfall. Analysis of organic polymorphs. A review , 1996 .
[83] Heinz W. Siesler,et al. Theoretical derivation and practical application of energy/temperature diagrams as an instrument in preformulation studies of polymorphic drug substances. , 1996 .
[84] D. Grant,et al. Crystal structures and physical chemical properties of nedocromil zinc heptahydrate and nedocromil magnesium pentahydrate , 1996 .
[85] D. Grant,et al. Relationships between crystal structures, thermal properties, and solvate stability of dialkylhydroxypyridones and their formic acid solvates. , 1995, Journal of pharmaceutical sciences.
[86] A. Gavezzotti,et al. Polymorphic Forms of Organic Crystals at Room Conditions: Thermodynamic and Structural Implications , 1995 .
[87] D. Grant,et al. Crystal structure of nedocromil sodium heptahemihydrate and its comparison with that of nedocromil sodium trihydrate , 1995 .
[88] Gautam R. Desiraju,et al. Supramolecular Synthons in Crystal Engineering—A New Organic Synthesis , 1995 .
[89] Lian Yu,et al. Inferring thermodynamic stability relationship of polymorphs from melting data. , 1995, Journal of pharmaceutical sciences.
[90] S. Vasavanonda,et al. ABT-538 is a potent inhibitor of human immunodeficiency virus protease and has high oral bioavailability in humans. , 1995, Proceedings of the National Academy of Sciences of the United States of America.
[91] J. Perlstein. Molecular Self-Assemblies. 4. Using Kitaigorodskii's Aufbau Principle for Quantitatively Predicting the Packing Geometry of Semiflexible Organic Molecules in Translation Monolayer Aggregates , 1994 .
[92] P. York,et al. Dehydration of theophylline monohydrate powder — effects of particle size and sample weight , 1994 .
[93] Kenneth D. M. Harris,et al. CRYSTAL STRUCTURE DETERMINATION FROM POWDER DIFFRACTION DATA BY MONTE CARLO METHODS , 1994 .
[94] Robert G. Bell,et al. Simulating and predicting crystal structures , 1993, Proceedings of the Royal Society of London. Series A: Mathematical and Physical Sciences.
[95] K. Shankland,et al. Applications of the maximum entropy method to powder diffraction and electron crystallography , 1993, Proceedings of the Royal Society of London. Series A: Mathematical and Physical Sciences.
[96] H. Ohtani,et al. Effect of Humidity on Solid‐state Isomerization of Various Kinds of Lactose During Grinding , 1993, The Journal of pharmacy and pharmacology.
[97] M. Wong,et al. Physicochemical characterization of a phase change produced during the wet granulation of chlorpromazine hydrochloride and its effects on tableting , 1992 .
[98] R. Gdanitz,et al. Ab Initio prediction of possible crystal structures for general organic molecules , 1992 .
[99] R. Gdanitz. Prediction of molecular crystal structures by Monte Carlo simulated annealing without reference to diffraction data , 1992 .
[100] R. Cernik,et al. The breadth and shape of instrumental line profiles in high-resolution powder diffraction , 1991 .
[101] Y. Satow,et al. Humidity-controlled reversible structure transition of disodium adenosine 5'-triphosphate between dihydrate and trihydrate in a single crystal state , 1991 .
[102] J. Langford,et al. High-resolution powder diffraction studies of copper(II) oxide , 1991 .
[103] P. York,et al. The relationship between Young's modulus of elasticity of organic solids and their molecular structure , 1991 .
[104] P. York,et al. YOUNG'S MODULUS OF POWDERS USED AS PHARMACEUTICAL EXCIPIENTS , 1990 .
[105] R. Rowe,et al. Determination of the critical stress intensity factor (KIC) of microcrystalline cellulose using radially edge-cracked tablets , 1989 .
[106] L. H. Jensen,et al. X-Ray Structure Determination: A Practical Guide , 1989 .
[107] Margaret C. Etter,et al. Hydrogen-bond formation in nitroanilines: the first step in designing acentric materials , 1987 .
[108] J. Langford,et al. Applications of Total Pattern Fitting to a Study of Crystallite Size and Strain in Zinc Oxide Powder , 1986, Powder Diffraction.
[109] T. C. Huang,et al. Crystal‐structure refinement by profile fitting and least‐squares analysis of powder diffractometer data , 1983 .
[110] C. D. Gelatt,et al. Optimization by Simulated Annealing , 1983, Science.
[111] Olga Kennard,et al. Systematic analysis of structural data as a research technique in organic chemistry , 1983 .
[112] G. S. Pawley,et al. Unit-cell refinement from powder diffraction scans , 1981 .
[113] E. R. Smith. Electrostatic energy in ionic crystals , 1981, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.
[114] G. Will. POWLS: A powder least‐squares program , 1979 .
[115] A. Burger,et al. On the polymorphism of pharmaceuticals and other molecular crystals. I , 1979 .
[116] A. Burger,et al. On the polymorphism of pharmaceuticals and other molecular crystals. II , 1979 .
[117] V. Belsky,et al. Distribution of organic homomolecular crystals by chiral types and structural classes , 1977 .
[118] P. Bansal,et al. Stability of aqueous solutions of pirbuterol. , 1977, Journal of pharmaceutical sciences.
[119] J. Haleblian,et al. Characterization of habits and crystalline modification of solids and their pharmaceutical applications. , 1975, Journal of pharmaceutical sciences.
[120] M. Kuhnert‐Brandstätter,et al. Beitrag zur thermischen Analyse optischer Antipoden: Mandelsäure , 1974 .
[121] W. Mccrone,et al. Solid-state chemistry of cromolyn sodium (disodium cromoglycate). , 1971, Journal of pharmaceutical sciences.
[122] Gerhard M. J. Schmidt,et al. Photodimerization in the solid state , 1971 .
[123] W. Mccrone,et al. Pharmaceutical applications of polymorphism. , 1969, Journal of pharmaceutical sciences.
[124] H. Rietveld. A profile refinement method for nuclear and magnetic structures , 1969 .
[125] B. Cullity,et al. Elements of X-ray diffraction , 1957 .
[126] R. Young,et al. The Rietveld method , 2006 .
[127] M. Laue. Eine quantitative Prüfung der Theorie für die Interferenz-Erscheinungen bei Röntgenstrahlen , 2004, Naturwissenschaften.
[128] E. Munson,et al. Crystal Structure of Neotame Anhydrate Polymorph G , 2004, Pharmaceutical Research.
[129] D. Grant,et al. Physical properties and crystal structures of chiral drugs , 2003 .
[130] Ashwini Nangia,et al. Database research in crystal engineering , 2002 .
[131] Theo Hahn. International tables for crystallography , 2002 .
[132] L. Nafie,et al. Spectroscopic methods for determining enantiomeric purity and absolute configuration in chiral pharmaceutical molecules. , 2001, Current opinion in drug discovery & development.
[133] B. A. Garetz,et al. Nonphotochemical, laser-induced nucleation of supersaturated aqueous glycine produces unexpected γ-polymorph , 2001 .
[134] S. Zhang. Molecular Self-assembly , 2001 .
[135] M. A. Khan,et al. Chirality and its implications in transdermal drug development. , 2000, Critical reviews in therapeutic drug carrier systems.
[136] R. S. Payne,et al. Mechanical property predictions for polymorphs of sulphathiazole and carbamazepine. , 2000, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.
[137] J. Henck,et al. Demonstration of the terms enantiotropy and monotropy in polymorphism research exemplified by flurbiprofen. , 1999, Journal of pharmaceutical sciences.
[138] Dario Braga,et al. Crystal Engineering: From Molecules and Crystals to Materials , 1999 .
[139] A. Buckingham. Intermolecular Forces: Their Origin, Strength and Significance , 1999 .
[140] A. Myerson. Molecular modeling applications in crystallization , 1999 .
[141] Michael J. Zaworotko,et al. Crystal engineering : the design and application of functional solids , 1999 .
[142] D. Williams. Theoretical Prediction of Crystal Structures of Rigid Organic Molecules , 1999 .
[143] S. Byrn,et al. Molecular Modeling Applications in Crystallization: The Solid-State Structure of Chiral Organic Pharmaceuticals , 1999 .
[144] W. Zhong,et al. Twinning Morphologies and Mechanisms of β‐BaB2O4 (BBO) Crystal Grown by TSSG Method , 1998 .
[145] K. Harris,et al. A Genetic Algorithm for Crystal Structure Solution from Powder Diffraction Data , 1998 .
[146] R. Docherty,et al. Theoretical investigations of conformational aspects of polymorphism. Part 1: o-acetamidobenzamide , 1998 .
[147] Carmelo Giacovazzo,et al. Direct Phasing in Crystallography: Fundamentals and Applications , 1998 .
[148] William I. F. David,et al. Routine determination of molecular crystal structures from powder diffraction data , 1998 .
[149] A. Gavezzotti,et al. Theoretical aspects and computer modeling of the molecular solid state , 1997 .
[150] P. M. Zorky. Symmetry, pseudosymmetry and hypersymmetry of organic crystals , 1996 .
[151] J. Atwood,et al. Crystallography of supramolecular compounds , 1996 .
[152] A. Myerson,et al. Crystal growth of organic materials , 1996 .
[153] J. Lipkowski. Clathration and Solvation of Molecules , 1996 .
[154] A. Collet,et al. SUR L'AUGMENTATION DE LA FREQUENCE DES DEDOUBLEMENTS SPONTANES PAR CRISTALLISATION DES RACEMIQUES SOUS HAUTE PRESSION , 1995 .
[155] M. Otsuka,et al. X-Ray Powder Diffraction Study on the Grinding Effect of the Polymorphs of a Novel and Orally Effective Uricosuric Agent: FR76505 , 1994 .
[156] E. Kisi. Rietveld analysis of powder diffraction patterns , 1994 .
[157] M. Otsuka,et al. Effects of Environmental Temperature and Compression Energy on Polymorphic Transformation During Tabletting , 1993 .
[158] C. Catlow,et al. Structure predictions in inorganic solids , 1992 .
[159] John M. Norman,et al. Prediction and Measurement of , 1992 .
[160] K. Kendall,et al. Brittle—ductile trasitions in die compaction of sodium chloride , 1989 .
[161] P. Schuster,et al. Energy surfaces of hydrogen-bonded complexes in the vapor phase , 1984 .
[162] S. Byrn. Solid state chemistry of drugs , 1982 .
[163] Jean Jacques,et al. Enantiomers, Racemates, and Resolutions , 1981 .
[164] W Press,et al. Crystalline solids. , 1980, Science.
[165] D. Breimer. Towards better safety of drugs and pharmaceutical products : proceedings of the 39th International Congress of Pharmaceutical Sciences of F.I.P., held in Brighton, U.K., September 3-7, 1979 , 1980 .
[166] S M Berge,et al. Pharmaceutical salts. , 1977, Journal of pharmaceutical sciences.
[167] L. Langhammer. [Binary systems of enantiomeric nicotine derivatives (author's transl)]. , 1975, Archiv der Pharmazie.
[168] Liselotte Langhammer. Binäre Systeme enantiomerer Nicotinderivate , 1975 .
[169] K. Florey,et al. Analytical profiles of drug substances , 1972 .
[170] Crystal Growing , 1968, Nature.
[171] A. L. McClellan,et al. The Hydrogen Bond , 1960 .
[172] W. L. Bragg,et al. 2 – The Diffraction of Short Electromagnetic Waves by a Crystal* , 1913 .