Search Results - "Barbas, Rafael"

Morphotropism and “Quasi-Isostructurality” in the Three High Z′ Concomitant Polymorphs of Efinaconazole by Prohens, Rafel, Barbas, Rafael, Font-Bardia, Mercè

“…The crystal structures of the three efinaconazole anhydrous forms have been solved by single-crystal X-ray diffraction showing a very rare case of nearly…”
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Polymorphism of Sildenafil: A New Metastable Desolvate by Barbas, Rafael, Font-Bardia, Mercè, Prohens, Rafel

“…A new anhydrous polymorph of the free base of sildenafil and two solvates (acetonitrile and propanenitrile) have been discovered and fully characterized. The…”
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Synthesis and Characterization of a New Norfloxacin/Resorcinol Cocrystal with Enhanced Solubility and Dissolution Profile by Fael, Hanan, Barbas, Rafael, Prohens, Rafel, Ràfols, Clara, Fuguet, Elisabet

“…A new cocrystal of Norfloxacin, a poorly soluble fluoroquinolone antibiotic, has been synthetized by a solvent-mediated transformation experiment in toluene,…”
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DFT–Assisted Structure Determination from Powder X-ray Diffraction Data of a New Zonisamide/ϵ-Caprolactam Cocrystal by Barbas, Rafael, Portell, Anna, Prohens, Rafel, Frontera, Antonio

“…The crystal structure of a new zonisamide cocrystal, an anticonvulsant drug used to treat the symptoms of epilepsy and Parkinson’s disease, with ϵ-caprolactam…”
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Sildenafil–Resorcinol Cocrystal: XRPD Structure and DFT Calculations by Barbas, Rafael, Kumar, Vineet, Vallcorba, Oriol, Prohens, Rafel, Frontera, Antonio

“…Herein, the X-ray powder diffraction (XRPD) crystal structure of a new Sildenafil cocrystal is reported, where resorcinol has been used as the coformer. The…”
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Virtual Cocrystal Screening of Adefovir Dipivoxyl: Identification of New Solid Forms with Improved Dissolution and Permeation Profiles by Barbas, Rafael, Fael, Hanan, Lee, Samuel, Ruiz, Rebeca, Hunter, Christopher A, Fuguet, Elisabet, Ràfols, Clara, Prohens, Rafel

“…The application of a computational screening methodology based on the calculation of intermolecular interaction energies has guided the discovery of new…”
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Revision of the Crystal Structure of the Orthorhombic Polymorph of Oxyma: On the Importance of π–Hole Interactions and Their Interplay with H–Bonds by Barbas, Rafael, de Sande, Dafne, Font-Bardia, Mercè, Prohens, Rafel, Frontera, Antonio

“…In this work the crystal structure of the previously described orthorhombic polymorph of the coupling reagent Oxyma has been revised, corrected now as…”
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Novel Polymorphic Cocrystals of the Non-Steroidal Anti-Inflammatory Drug Niflumic Acid: Expanding the Pharmaceutical Landscape by Acebedo-Martínez, Francisco Javier, Alarcón-Payer, Carolina, Frontera, Antonio, Barbas, Rafael, Prohens, Rafel, Di Crisci, Milena, Domínguez-Martín, Alicia, Gómez-Morales, Jaime, Choquesillo-Lazarte, Duane

“…Any time the pharmaceutical industry develops a new drug, potential polymorphic events must be thoroughly described, because in a crystalline pharmaceutical…”
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The Solid State Landscape of the Sildenafil Drug by Barbas, Rafael, Llinas, Antonio, Prohens, Rafel

“…Sildenafil, the active ingredient of the drug developed by Pfizer for the treatment of erectile dysfunction was firstly synthesized in 1989 in the United…”
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DFT Analysis of Uncommon π···H-Bond Array Interaction in a New Pterostilbene/Theophylline Cocrystal by Bofill, Lídia, Prohens, Rafel, Barbas, Rafael, Frontera, Antonio

“…A new cocrystal formed between the nutraceutical compounds pterostilbene and theophylline was synthesized and X-ray characterized in the form of a…”
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Polymorphism in the 1/1 Pterostilbene/Picolinic Acid Cocrystal by Barbas, Rafael, Font-Bardia, Mercè, Frontera, Antonio, Prohens, Rafel

“…The crystal structures of two new polymorphs of the 1/1 pterostilbene/picolinic acid cocrystal have been analyzed by single-crystal X-ray diffraction and…”
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New Cocrystal of Ubiquinol with High Stability to Oxidation by Bofill, Lídia, de Sande, Dafne, Barbas, Rafael, Prohens, Rafel

“…A new cocrystal of the essential nutrient ubiquinol that is highly resistant to air oxidation has been designed and discovered in a cocrystal screening…”
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A New and Highly Stable Cocrystal of Vitamin D3 for Use in Enhanced Food Supplements by Bofill, Lídia, de Sande, Dafne, Barbas, Rafael, Prohens, Rafel

“…A new cocrystal of Vitamin D3 (Cholecalciferol) and resorcinol has been discovered and characterized through experimental cocrystal screening. Its high…”
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Assembling the Puzzle of Apixaban Solid Forms by Barbas, Rafael, Puigjaner, Cristina, Prohens, Rafel

“…An in-depth analysis of the solid forms of the anticoagulant drug Apixaban (APX) has been conducted to sort out the confusion in the scientific and patent…”
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The Ca(2+)-EDTA chelation as standard reaction to validate Isothermal Titration Calorimeter measurements (ITC) by Ràfols, Clara, Bosch, Elisabeth, Barbas, Rafael, Prohens, Rafel

“…A study about the suitability of the chelation reaction of Ca(2+)with ethylenediaminetetraacetic acid (EDTA) as a validation standard for Isothermal Titration…”
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Oxyma: An Efficient Additive for Peptide Synthesis to Replace the Benzotriazole-Based HOBt and HOAt with a Lower Risk of Explosion[1] by Subirós-Funosas, Ramon, Prohens, Rafel, Barbas, Rafael, El-Faham, Ayman, Albericio, Fernando

“…Oxyma [ethyl 2‐cyano‐2‐(hydroxyimino)acetate] has been tested as an additive for use in the carbodiimide approach for formation of peptide bonds. Its…”
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Cooperativity effects in a new pterostilbene/phenanthroline cocrystal by Barbas, Rafael, Bofill, Lídia, Kumar, Vineet, Prohens, Rafel, Frontera, Antonio

“…•Nutraceutical cocrystals.•Hirshfeld surface analyses.•DFT calculations in combination with MEP surface/NCI plot/QTAIM analysis. The SCXRD structure of the…”
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Combined Virtual/Experimental Multicomponent Solid Forms Screening of Sildenafil: New Salts, Cocrystals, and Hybrid Salt–Cocrystals by Barbas, Rafael, Font-Bardia, Mercè, Paradkar, Anant, Hunter, Christopher A, Prohens, Rafel

“…New multicomponent solid forms of sildenafil have been discovered by means of a combined virtual/experimental cocrystal screening. Coformer selection of…”
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Hydrogen Bond Polarization Overcomes Unfavorable Packing in the Most Stable High Z′ Polymorph of Pterostilbene by Bofill, Lídia, de Sande, Dafne, Barbas, Rafael, Prohens, Rafel

“…The polymorphic landscape of the nutraceutical pterostilbene has been analyzed by solving the crystal structure of forms II and III from PXRD data…”
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Potentiometric CheqSol and standardized shake-flask solubility methods are complimentary tools in physicochemical profiling by Lucero-Borja, Diego, Subirats, Xavier, Barbas, Rafael, Prohens, Rafel, Avdeef, Alex, Ràfols, Clara

“…•Shake-flask and CheqSol methods provide valuable and complementary information.•CheqSol shows that glimepiride and pioglitazone are prone to…”
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