Information

Selected Bibliography

SSCI, a Division of Aptuit. is the publisher of Solid-State Chemistry of Drugs, Second Edition,and Mechanics and Physical Principles for Powders and Compacts, Second Edition. Solid-State Chemistry of Drugs is a comprehensive review of molecular structure in solid drugs, methods of analysis, solid-state physical transformations, and solid-state reactions.
Mechanics and Physical Principles for Powders and Compacts is a concise overview of technologies and fundamental concepts in processing of solids, prediction of tableting and other material properties, and formulation of solid dosage forms.

SSCI also publishes Application Notes on topics of importance in solid-state pharmaceutical science.

SSCI scientists make presentations at technical and professional conferences and publish in the journals of their respective disciplines. The following is a list of recent publications and presentations by SSCI scientists.

  1. Schultheiss, N., Roe, M. and Smit, J. P., "Nifedipine-pyrazine (2/1)" Acta Cryst., E66, o2297-o2298 (2010).
  2. Schultheiss, N., Roe, M., Boerrigter, S.X.M., "Cocrystals of nutraceutical p-coumaric acid with caffeine and theophylline: polymorphism and solid-state stability explored in detail using their crystal graphs", accepted to CrystEngComm (2010).
  3. Teng, J., Bates, S., Engers D. A., Leach, K., Schields, P., Yang, Y., "Effect of Water-Vapor Sorption on Local Structure of Polyvinylpyrrolidone", J. Pharm. Sci. (Special Issue: S. R. Byrn, 2010), 99(9), 3815-3825 (2010).
  4. Ivanisevic, I., "Physical Stability Studies of Miscible Amorphous Solid Dispersions", J. Pharm Sci. (Special Issue: S. R. Byrn), 99(9), 4005-4012 (2010).
  5. Schultheiss, N., Bethune, S., Henck, J-O., "Nutraceutical cocrystals: utilizing pterostilbene as a cocrystal former" CrystEngComm (Special Issue: New Talent), 12, 2436-2442 (2010).
  6. Engers, D., Teng, J., Jimenez-Novoa, J., Gent, P., Hossack, S., Campbell, C., Thomson, J., Ivanisevic, I., Templeton, A., Byrn, S., Newman, A. "A Solid-State Approach to Enable Early Development Compounds: Selection and Animal Bioavailability Studies of an Itraconazole Amorphous Solid Dispersion", J. Pharm. Sci. (Special Issue: S. R. Byrn), 99(9), 3901-3922 (2010).
  7. Padilla, A.M., Ivanisevic, I., Yang, Y., Engers, D., Bogner, R.H., Pikal, M.J., "The Study of Phase Separation in Amorphous Freeze-Dried Systems, Part I: Raman Mapping and Computational Analysis of XRPD Data in Model Polymer Systems", accepted to J. Pharm. Sci. (2010).
  8. Ivanisevic, I., Bates  S. and Chen, P.,  "A novel method for the assessment of miscibility in amorphous dispersions", J. Pharm. Sci (Special Issue: M. J. Pikal), 98(9), 3373-3386 (2009).
  9. Friscic, T., Childs, S.L., Rizvi, S.A.A., Jones, W., "The role of solvent in mechanochemical and sonochemical cocrystal formation: a solubility-based approach for predicting cocrystallisation outcome" CrystEngComm, 11, 418 (2009).
  10. Childs, S.L., Wood, P.A., Rodriguez-Hornedo, N., Reddy, L.S., Hardcastle, K.I. Analysis of 50 Crystal Structures Containing Carbamazepine Using the Materials Module of Mercury CSD, Crystal Growth & Design, 9 (4), 1869–1888 (2009).
  11. Schultheiss, N. and Newman, A., "Pharmaceutical Cocrystals and Their Physicochemical Properties" Cryst. Growth Des., 9 (6), 2950–2967 (2009).
  12. Rumondor, A.C.F, Ivanisevic, I., Bates, S., Alonzo, D.E. and Taylor, L.S. "Evaluation of Drug-Polymer Miscibility in Amorphous Solid Dispersion Systems" Pharm. Res, 26(11), 2523-2534 (2009).
  13. Schultheiss, N., Hanko, J. and Smit, J., "Three isostructural solvates of finasteride and their solid-state characterization" Europ. J. Pharm. Sci., 38, 498-503 (2009).
  14. Schultheiss, N., Lorimer, K., Wolfe, S., Desper, J. "Attempted Construction of Minoxidil:Carboxylic Acid Cocrystals; 7 Salts and 1 Cocrystal Resulted" CrystEngComm, 12, 742-749 (2010).
  15. Newman, A., Engers, D., Bates, S., Ivanisevic, I., Kelly, R.C., Zografi, G., "Characterization of amorphous API:Polymer mixtures using X-ray powder diffraction" J. Pharm. Sci., 97(11), 4840-4856 (2008).
  16. Childs, S.L., Rodríguez-Hornedo, N., Reddy, L.S., Jayasankar, A., Maheshwari, C., McCausland, L., Shipplett, R., Stahly, B.C., "Screening strategies based on solubility and solution composition generate pharmaceutically acceptable cocrystals of carbamazepine" CrystEngComm, 10(7), 856-864 (2008).
  17. Childs, S. L.; Hardcastle, K. I. "Cocrystals of Piroxicam with Carboxylic Acids" Crystal Growth & Design, 7 (7), 1291–1304 (2007).
  18. Park, A.; Chyall, L. J.; Dunlap, J.; Schertz, C.; Jonaitis, D.; Stahly, B. C.; Bates, S.; Shipplett, R.; Childs, S. L. "New Solid-State Chemistry Technologies to Bring Better Drugs to Market: Knowledge Based Decision Making" Expert Opin. Drug Discovery 2, 145-154 (2007).
  19. Henck, J-O., Byrn, S., "Designing a molecular delivery system within a preclinical timeframe" Drug Discovery Today, 12(5/6), 189-268 (2007).
  20. Childs, S. L., Hardcastle, K. I., "Cocrystals of Piroxicam with Carboxylic Acids" Crystal Growth & Design, 7(7), 1291–1304 (2007).
  21. Childs, S.L., Stahly, G.P., Park, A., "The Salt−Cocrystal Continuum:The Influence of Crystal Structure on Ionization State" Mol. Pharm., 4 (3), 323–338 (2007).
  22. Childs, S. L., Hardcastle, K. I., "Cocrystals of chlorzoxazone with carboxylic acids" CrystEngComm, 9, 364-367 (2007).
  23. Bates, S., Kelly, R.C., Ivanisevic, I., Schields, P., Zografi, G., Newman, A.W. "Assessment of Defects and Amorphous Structure produced in Raffinose Pentahydrate upon dehydration"  J. Pharm. Sci., (Special Issue: D. Grant), 96(5), 1418-1433 (2007).
  24. Stahly, G. P.; Bates, S.; Andres, M. A.; Cowans, B. A. "Discovery of a New Polymorph of Dehydroepiandrosterone (Prasterone) and Solution of Its Crystal Structure for X-ray Powder Diffraction Data" Crystal Growth & Design 6, 925–932 (2006).
  25. Bates, S.; Zografi, G.; Engers, D. A.; Morris, K. R.; Crowley, K.; Newman, A. W. "Analysis of Amorphous and Nanocrystalline Solids from Their X-Ray Diffraction Patterns" Pharm. Res., 23, 2333-2349 (2006).
  26. Engers, D. A.; Fricke, M. N.; Storey, R. P.; Newman, A. W.; Morris, K. R. "Triboelectrification of Pharmaceutically-Relevant Powders During Low-Shear Tumble Blending"  J. Electrostat., 64, 826-835 (2006).
  27. McNamara, D. P; Childs, S. L.; Giordano, J.; Iarriccio, A.; Cassidy, J.; Shet, M. S.; Mannion, R.; O'Donnell, E.; Park, A. "Use of a Glutaric Acid Cocrystal to Improve Oral Bioavailability of a Low Solubility API" Pharm. Res. 23, 1888-1897 (2006).
  28. Sheth, A. R.; Bates, S.; Muller, F. X., Grant, D. J. W. "Local Structure in Amorphous Phases of Piroxicam from Powder X-Ray Diffractometry" Crystal Growth & Design, 5, 571-578 (2005).
  29. Ivanisevic, I.; Bugay, D. E.; Bates, S. J. "On Pattern Matching of X-Ray Powder Diffraction Data"  Phys. Chem. B  109, 7781-7787 (2005).
  30. Lohani, S.; Zhang, Y.; Chyall, L. C.; Mougin-Andres, P.; Muller, F. X.; Grant, D. J. W. "Carbamazepine-2,2,2-trifluoroethanol (1/1)"  Acta Cryst. E61, o1310-o1312 (2005).
  31. Childs, S. L.; Chyall, L. J.; Dunlap, J. T.; Coates, D. A.; Stahly, B. C.; Stahly, G. P. "A Metastable Polymorph of Metformin Hydrochloride: Isolation and Characterization Using Capillary Crystallization and Thermal Microscopy Techniques"  Crystal Growth & Design 4, 441–449 (2004).
  32. Childs, S. L.; Chyall, L. J.; Dunlap, J. T.; Smolenskaya, V. N.; Stahly, B. C.; Stahly, G. P. "Crystal Engineering Approach to Forming Cocrystals of Amine Hydrochloride with Organic Acids.  Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids" J. Am. Chem. Soc. 126, 13335–13342 (2004).
  33. Sheth, A. R.; Bates, S.; Muller, F. X., Grant, D. J. W. "Polymorphism in Piroxicam" Crystal Growth & Design, 4, 1091-1098 (2004).
  34. Cao, W.; Mullarney, M. P.; Hancock, B.; Bates, S.; Morris, K. R. "Modeling of Transmitted X-ray Intensity Variation with Sample Thickness and Solid Fraction in Glycine Compacts" J. Pharm. Sci. 92, 2345-2353 (2003).
  35. Newman, A. W.; Byrn, S. R.  "Solid-state Analysis of the Active Pharmaceutical Ingredient in Drug Products".  Drug Discovery Today, 8, 898-905 (2003).
  36. Tishmack, P. A; Bugay, D. E.; Byrn, S. R. "Solid-State Nuclear Magnetic Resonance Spectroscopy - Pharmaceutical Applications"  J. Pharm. Sci., 92, 577-610 (2003). 
  37. Chyall, L. J.; Tower, J. M.; Coates, D. A.; Houston, T. L.; Childs, S. L. "Polymorph Generation in Capillary Spaces: The Preparation and Structural Analysis of a Metastable Polymorph of Nabumetone" Crystal Growth & Design 2002, 2 , 505-510.
  38. S. L. Childs and K. S. Hagen, Presented at the Royal Society of Chemistry's Crystal Engineering Communications Discussion Conference (2002), CrystEngComm, 2002, 4, 265-270; "A Co-crystal Containing Kemp's Tri-acid and Acetic Acid: A 0D Aggregate Disrupts A Thermodynamically Preferred 1D Rod Motif."
  39. He, X.; Stowell, J.G.; Morris, K.R.; Pfeiffer, R.R.; Li, H.; Stahly, G.P.; Byrn, S.R. "Stabilization of a Metastable Polymorph of 4-Methyl-1,2-nitroacetanilide by Isomorphic Additives" Crystal Growth & Design 2001, 1, 305.
  40. D.E. Bugay, "Characterization of the Solid-State: 2. Spectroscopic Techniques", Adv. Drug Delivery Rev., 48(1), 43-65 (2001).
  41. S. R. Byrn, W. Xu, A. W. Newman, "Chemical Reactivity in Solid-State Pharmaceutics", Adv. Drug Delivery Rev., 2001, 48(1),115-136.
  42. Davidovich, M.; Mueller, R.; Raghaven, K.; Ranadive, S.; Vitez, I.; Sarsfield, B.; DiMarco, J.; Gougoutas, J.; Newman, A. Amer. Pharm. Rev. 2001, 4(1), 53-60; "The Role of Powder X-Ray Diffraction as a Powerful Tool in Characterization of Various Hydrates of a Drug Substance."
  43. Newman, A.W.; Stahly, G.P. in Handbook of Pharmaceutical Analysis; Ohannesian, L.; Streeter, A.J., Eds.; Marcel Dekker: New York, 2001, Chapter 1. Form Selection of Pharmaceutical Compounds.
  44. Bugay, D. E.; Smith, P. A. Presented at the Nicolet Research Symposium 2000-2001; "IR and Raman of Pharmaceuticals, Quantitative Assays and Mapping."
  45. Gandhi, R.B.; Bogardus, J.B.; Bugay, D.E.; Perrone, R.K.; Kaplan M.A. Int. J. Pharm. 2000, 201, 221-237; "Pharmaceutical Relationships of Three Solid State Forms of Stavudine."
  46. Gurney, R.W.; Mitchell, C.A.; Ham, S.; Bastin, L.D.; Kahr, B. J. Phys. Chem. B. 2000, 104, 878-892 ; "Salting Benzenes."
  47. Sharma, R. K.; Hajaligol, M. R.; Smith, P. A.; Wooten, J. B.; Baliga, V. Energy & Fuels 2000, 14, 1083-1093; "Characterization of Char from Pyrolysis of Chlorogenic Acid."
  48. Smith, P.A.; Bugay, D.E.; Houghtaling, M. A . Presented at the 27th Annual Conference of the Federation of Analytical Chemistry and Spectroscopy Societies, 2000; Paper No. 598 (invited); "Chemometric Applications of Mixture Analysis Using FT-Raman Spectroscopy."
  49. Smith, P. A Vibrational Spectroscopy 2000, 24, 47-62; "Infrared microspectroscopy mapping studies of packaging materials: experiment design and data profiling considerations."
  50. Yu, L.; Stephenson, G. A.; Mitchell, C.A.; Bunnell, C.A.; Snorek, S.V.; Bowyer, J.; Borchardt, T.B.; Stowell, J.G.; Byrn, S.R. J. Am. Chem. Soc. 2000, 122, 585-591; "Thermochemistry and Conformational Polymorphism of a Hexamorphic Crystal System."
  51. Yu, L.; Reutzel-Edens, S. M.; Mitchell, C. A., Org. Proc. Res. Dev. 2000, 4, 396-402; "Crystallization and Polymorphism of Conformationally Flexible Molecules: Problems, Patterns, and Strategies."
  52. Bugay, D.E.; Findlay, W.P. Pharmaceutical Excipients: Characterization by IR, Raman, and NMR Spectroscopy; Marcel Dekker: New York, 1999.
  53. McGlynn, P.; Redmon, M. P.; Wald, S. A.; Morrison, H. G.; Newman, A. W.; Russell, B. W.; Stahly, G. P.; Bugay, D. E.; Li-Bovet, L.; Venero, A. F. Presented at AAPS Annual Meeting, November 1999; "Quantitation of Amorphous Material in Micronized Levalbuterol Sulfate."
  54. Newman, A. W.; Vitez, I. M.; Mueller, R. L.; Kiesnowski, C.; Davidovich, M.; Findlay, W. P. Analytical Profiles of Drug Substances and Excipients 1999, 26, 459-502; "Sorbitol."
  55. Newman, A. W.; Stephens, P.; Morrison, H. G.; Andres, M. C.; Thomas, A. S.; Stahly, G. P. Presented at AAPS Annual Meeting, November 1999; "Quantitation of Two Polymorphic Forms Using X-Ray Powder Diffraction and Rietveld Analysis."
  56. Stahly, G.P.; Byrn, S.R. In Molecular Modeling Applications in Crystallization; Myerson, A.S., Ed.; Cambridge University Press: New York, 1999; Chapter 6. "The Solid-State Structure of Chiral Organic Pharmaceuticals."
  57. Chongprasert, S., Griesser, U. J.; Bottorff, A. T.; Williams, N. A.; Byrn, S. R., Nail, S. L . J. Pharm. Sci. 1998, 87, 1155-1160; "Effects of Freeze-Dry Processing Conditions on the Crystallization of Pentamidine Isethionate."
  58. Findlay, W.P.; Bugay, D.E. J. Pharm. Biomed. Anal. 1998, 16, 921-993; "Utilization of Fourier Transform-Raman Spectroscopy for the Study of Pharmaceutical Crystal Forms."
  59. Mitchell, C.A.; Gurney, R. W.; Jang, S.-H; Kahr, B. J. Am. Chem. Soc. 1998, 120, 9726-9727; "On the Mechanism of Room Temperature Phosphorescence."
  60. Morris, K.R., Nail, S.L., Peck, G.E., Byrn, S.R., Griesser, U.J., Stowell, J.G., Hwang, S-J, Park, K. Pharmaceutical Science and Technology Today 1998, 1, 235-245; "Advances in Pharmaceutical Materials and Processing."
  61. Smith, J.; MacNamara, E.; Raftery, D.; Borchardt, T.; Byrn, S. J. Am. Chem. Soc. 1998, 120, 11710-11713 (English); "Application of Two-Dimensional 13C Solid-State NMR to the Study of Conformational Polymorphism."
  62. Vitez, I. M.; Findlay, W. P.; Gallela, M.; Mueller, R. L.; Newman, A. W.; Sarsfield, B.; Swensen, A. K. Presented at Eastern Analytical Symposium and Exposition, November 1998; "Physical Characterization of a Solid Bulk Drug Substance Using a Multi-Disciplinary Approach."
  63. Huang, K-S; Britton, D.; Etter, M. C.; Byrn, S. R., J. Mater. Chem. 1997, 7, ,713-720; "A novel class of phenol-pyridine co-crystals for second harmonic generation."
  64. Rodriguez, C.; Bugay, D. E. J. Pharm. Sci. 1997, 86, 263-266; "Characterization of Pharmaceutical Solvates by Thermogravimetric/Infrared Analysis (TG/IR)."
  65. Shalaev, Evgenyi Yu.; Byrn, Stephen R.; Zografi, George. Int. J. Chem. Kinet. 1997, 29, 339-348; "Single-phase and heterophase solid-state chemical kinetics of thermally induced methyl transfer in tetraglycine methyl ester."
  66. Stahly, G. P.; Starrett, R. M. Chirality in Industry II; Collins, A. N.; Sheldrake, G. N.; Crosby, J., Eds.; Wiley & Sons: New York, 1997, Chapter 3. "Production Methods for Chiral Non-steroidal Anti-inflammatory Profen Drugs."
  67. Stahly, G.P.; McKenzie, A.T.; Andres, M.C.; Russell, C.A.; Byrn, S.R.; Johnson, P. J. Pharm. Sci. 1997, 86, 970. "Determination of the Optical Purity of Ibuprofen Using X-ray Powder Diffraction."
  68. Stephenson, G. A.; Stowell, J. G.; Toma, P. H.; Pfeiffer, R. R.; Byrn, S.R. J. Pharm. Sci. 1997, 86, 1239-1244; "Solid-State Investigations of Erythromycin A Dihydrate Structure, NMR Spectroscopy, and Hygroscopicity."
  69. Stephenson, G. A.; Pfeiffer, R. R.; Byrn, S. R., Int. J. Pharm. 1997, 146, 93-99; "Solid-state investigation of the tautomerism of acetohexamide."
  70. Xu, W.; Wahle, M. C.; Stowell, J. G.; Byrn, S. R. Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 1997, C53, 1917-1919; "Spirapril hydrochloride hydrate.